untitled.cdx
csChFnd80/08142011062D

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1

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C21H18FN5O

>  <MolWeight> (1)
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S1003

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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
csChFnd80/08142011062D

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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
csChFnd80/08142011062D

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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
csChFnd80/08142011062D

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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
csChFnd80/08142011062D

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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
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (6)
6

>  <Formula> (6)
C19H25BN4O4

>  <MolWeight> (6)
384.2372

>  <Cat> (6)
S1013

>  <Name> (6)
Bortezomib (Velcade)

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

>  <Target> (6)
Proteasome

>  <Form> (6)
Free Base

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

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

$$$$
Bosutinib (SKI-606).cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (7)
7

>  <Formula> (7)
C26H29Cl2N5O3

>  <MolWeight> (7)
530.44616

>  <Cat> (7)
S1014

>  <Name> (7)
Bosutinib (SKI-606)

>  <Synonyms> (7)
N/A 

>  <Target> (7)
Src

>  <Form> (7)
Free Base

>  <CAS> (7)
380843-75-4

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

$$$$
untitled.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (8)
8

>  <Formula> (8)
C25H27FN4O3

>  <MolWeight> (8)
450.5052832

>  <Cat> (8)
S1017

>  <Name> (8)
Cediranib (AZD2171)

>  <Synonyms> (8)
Recentin 

>  <Target> (8)
VEGFR, Flt

>  <Form> (8)
Free Base

>  <CAS> (8)
288383-20-0

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

$$$$
CI1040.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (9)
9

>  <Formula> (9)
C17H14ClF2IN2O2

>  <MolWeight> (9)
478.6595364

>  <Cat> (9)
S1020

>  <Name> (9)
CI-1040 (PD184352)

>  <Synonyms> (9)
N/A 

>  <Target> (9)
MEK 

>  <Form> (9)
Free Base

>  <CAS> (9)
212631-79-3

>  <URL> (9)
http://www.selleckchem.com/products/CI-1040-(PD184352).html

$$$$
Dasatinib.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (10)
10

>  <Formula> (10)
C22H26ClN7O2S

>  <MolWeight> (10)
488.00554

>  <Cat> (10)
S1021

>  <Name> (10)
Dasatinib

>  <Synonyms> (10)
BMS-354825

>  <Target> (10)
Src, Bcr-Abl, c-Kit

>  <Form> (10)
Free Base

>  <CAS> (10)
302962-49-8

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

$$$$
untitled.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (11)
11

>  <Formula> (11)
C53H84NO14P

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S1022

>  <Name> (11)
Deforolimus (MK-8669) 

>  <Synonyms> (11)
AP23573, MK-8669

>  <Target> (11)
mTOR

>  <Form> (11)
Free Base

>  <CAS> (11)
572924-54-0

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

$$$$

csChFnd80/08142011062D

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>  <Mol_ID> (12)
12

>  <Formula> (12)
C21H21FN6O

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392.4294432

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S1018

>  <Name> (12)
Dovitinib (TKI-258, CHIR-258)

>  <Synonyms> (12)
N/A

>  <Target> (12)
c-Kit, FGFR, Flt, VEGFR, PDGFR 

>  <Form> (12)
Free base

>  <CAS> (12)
405169-16-6

>  <URL> (12)
http://www.selleckchem.com/products/CHIR-258.html

$$$$
untitled.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (13)
13

>  <Formula> (13)
C22H24ClFN4O3

>  <MolWeight> (13)
446.9023632

>  <Cat> (13)
S1025

>  <Name> (13)
Gefitinib (ZD1839)

>  <Synonyms> (13)
N/A

>  <Target> (13)
EGFR

>  <Form> (13)
Free Base

>  <CAS> (13)
184475-35-2

>  <URL> (13)
http://www.selleckchem.com/products/Gefitinib.html

$$$$
Imatinib Mesylate.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (14)
14

>  <Formula> (14)
C30H35N7O4S

>  <MolWeight> (14)
589.7084

>  <Cat> (14)
S1026

>  <Name> (14)
Imatinib Mesylate (STI571)

>  <Synonyms> (14)
CGP-57148B, ST-1571 Mesylate

>  <Target> (14)
PDGFR, c-Kit, Bcr-Abl

>  <Form> (14)
Mesylate

>  <CAS> (14)
220127-57-1

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

$$$$
Lapatinib Ditosylate.cdx
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M  END
>  <Mol_ID> (15)
15

>  <Formula> (15)
C43H42ClFN4O10S3

>  <MolWeight> (15)
925.4607832

>  <Cat> (15)
S1028

>  <Name> (15)
Lapatinib (GW-572016) Ditosylate

>  <Synonyms> (15)
GW-57201

>  <Target> (15)
EGFR, HER2

>  <Form> (15)
Ditosylat

>  <CAS> (15)
388082-77-7

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

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (16)
16

>  <Formula> (16)
C22H29N5O9P2

>  <MolWeight> (16)
569.441282

>  <Cat> (16)
S1032

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

>  <Synonyms> (16)
AMG-706

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

>  <Form> (16)
Diphosphate

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

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

$$$$
untitled.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (17)
17

>  <Formula> (17)
C28H22F3N7O

>  <MolWeight> (17)
529.5157896

>  <Cat> (17)
S1033

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

>  <Synonyms> (17)
Tasigna 

>  <Target> (17)
Bcr-Abl

>  <Form> (17)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C21H24ClN7O2S

>  <MolWeight> (18)
473.97896

>  <Cat> (18)
S1035

>  <Name> (18)
Pazopanib HCl

>  <Synonyms> (18)
GW786034

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

>  <Form> (18)
Hydrochloride

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

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

$$$$
untitled.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C16H14F3IN2O4

>  <MolWeight> (19)
482.1930396

>  <Cat> (19)
S1036

>  <Name> (19)
PD0325901

>  <Synonyms> (19)
N/A

>  <Target> (19)
MEK 

>  <Form> (19)
Free Base

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

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

$$$$
1.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (20)
20

>  <Formula> (20)
C19H16N4O3

>  <MolWeight> (20)
348.35534

>  <Cat> (20)
S1038

>  <Name> (20)
PI-103

>  <Synonyms> (20)
N/A

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

>  <Form> (20)
Free Base

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

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

$$$$
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M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C51H79NO13

>  <MolWeight> (21)
914.17186

>  <Cat> (21)
S1039

>  <Name> (21)
Rapamycin (Sirolimus)

>  <Synonyms> (21)
N/A 

>  <Target> (21)
mTOR 

>  <Form> (21)
Free Base

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

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

$$$$

csChFnd80/08142011062D

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M  END
>  <Mol_ID> (22)
22

>  <Formula> (22)
C28H24ClF3N4O6S

>  <MolWeight> (22)
637.0265696

>  <Cat> (22)
S1040

>  <Name> (22)
Sorafenib Tosylate

>  <Synonyms> (22)
Bay 43-9006 

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

>  <Form> (22)
Tosylate

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

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

$$$$

csChFnd80/08142011062D

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M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C26H33FN4O7

>  <MolWeight> (23)
532.5612232

>  <Cat> (23)
S1042

>  <Name> (23)
Sunitinib Malate

>  <Synonyms> (23)
N/A

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

>  <Form> (23)
Malate

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

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

$$$$
untitled.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C23H28N8OS

>  <MolWeight> (24)
464.58642

>  <Cat> (24)
S1048

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

>  <Synonyms> (24)
N/A 

>  <Target> (24)
Aurora Kinase

>  <Form> (24)
Free Base

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

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

$$$$
Y-27632 2HCL.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (25)
25

>  <Formula> (25)
C14H23Cl2N3O

>  <MolWeight> (25)
320.25792

>  <Cat> (25)
S1049

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

>  <Synonyms> (25)
N/A

>  <Target> (25)
ROCK

>  <Form> (25)
Dihydrochloride

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

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

$$$$
untitled.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C32H29N5O2

>  <MolWeight> (26)
515.60496

>  <Cat> (26)
S1055

>  <Name> (26)
Enzastaurin (LY317615)

>  <Synonyms> (26)
N/A 

>  <Target> (26)
PKC 

>  <Form> (26)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (27)
27

>  <Formula> (27)
C28H30N6OS

>  <MolWeight> (27)
498.6424

>  <Cat> (27)
S1064

>  <Name> (27)
Masitinib (AB1010)

>  <Synonyms> (27)
N/A 

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

>  <Form> (27)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C23H27N7O3S2

>  <MolWeight> (28)
513.63558

>  <Cat> (28)
S1065

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

>  <Synonyms> (28)
RG7321

>  <Target> (28)
PI3K 

>  <Form> (28)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C20H14FN3O

>  <MolWeight> (33)
331.3430632

>  <Cat> (33)
S1077

>  <Name> (33)
SB202190 (FHPI)

>  <Synonyms> (33)
N/A

>  <Target> (33)
p38 MAPK 

>  <Form> (33)
Free Base

>  <CAS> (33)
152121-30-7

>  <URL> (33)
http://www.selleckchem.com/products/SB-202190.html

$$$$

csChFnd80/08142011062D

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M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C25H23Cl2N5O

>  <MolWeight> (34)
480.38902

>  <Cat> (34)
S1078

>  <Name> (34)
MK-2206 dihydrochloride

>  <Synonyms> (34)
N/A

>  <Target> (34)
Akt

>  <Form> (34)
Dihydrochloride

>  <CAS> (34)
1032350-13-2

>  <URL> (34)
http://www.selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C28H30ClN5O4S

>  <MolWeight> (35)
568.0869

>  <Cat> (35)
S1080

>  <Name> (35)
SU11274

>  <Synonyms> (35)
PKI-SU11274

>  <Target> (35)
c-Met 

>  <Form> (35)
Free Base

>  <CAS> (35)
658084-23-2

>  <URL> (35)
http://www.selleckchem.com/products/SU11274.html

$$$$
Brivanib.cdx
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M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C19H19FN4O3

>  <MolWeight> (36)
370.3775632

>  <Cat> (36)
S1084

>  <Name> (36)
Brivanib (BMS-540215)

>  <Synonyms> (36)
N/A 

>  <Target> (36)
VEGFR, FGFR

>  <Form> (36)
Free Base

>  <CAS> (36)
649735-46-6

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

$$$$
NVP-ADW742.cdx
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IGF-1R

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475488-23-4

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http://www.selleckchem.com/products/NVP-ADW742.html

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ATM 

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587871-26-9

>  <URL> (38)
http://www.selleckchem.com/products/KU-55933.html

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1089283-49-7

>  <URL> (39)
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c-Met 

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Free Base

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956905-27-4

>  <URL> (40)
http://www.selleckchem.com/products/PF-04217903.html

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41

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C25H15ClF2N4O2

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S1100

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MLN8054

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N/A

>  <Target> (41)
Aurora Kinase

>  <Form> (41)
Free Base

>  <CAS> (41)
869363-13-3

>  <URL> (41)
http://www.selleckchem.com/products/MLN8054.html

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>  <Mol_ID> (42)
42

>  <Formula> (42)
C20H17Cl3N4

>  <MolWeight> (42)
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>  <Cat> (42)
S1101

>  <Name> (42)
Vatalanib (PTK787) 2HCl

>  <Synonyms> (42)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (42)
VEGFR, c-Kit, Flt

>  <Form> (42)
Dihydrochloride

>  <CAS> (42)
212141-51-0

>  <URL> (42)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

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

>  <Formula> (43)
C29H31N5O4

>  <MolWeight> (43)
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>  <Cat> (43)
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>  <Name> (43)
ZM-447439

>  <Synonyms> (43)
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>  <Target> (43)
Aurora Kinase

>  <Form> (43)
Free Base

>  <CAS> (43)
331771-20-1

>  <URL> (43)
http://www.selleckchem.com/products/ZM-447439.html

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Raf

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905281-76-7

>  <URL> (44)
http://www.selleckchem.com/products/GDC-0879.html

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N/A

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PI3K 

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Free Base

>  <CAS> (45)
154447-36-6

>  <URL> (45)
http://www.selleckchem.com/products/LY294002.html

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46

>  <Formula> (46)
C26H19F3N4O

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S1106

>  <Name> (46)
OSU-03012 (AR-12)

>  <Synonyms> (46)
AR-12 

>  <Target> (46)
PDK-1

>  <Form> (46)
Free Base

>  <CAS> (46)
742112-33-0

>  <URL> (46)
http://www.selleckchem.com/products/OSU-03012.html

$$$$
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47

>  <Formula> (47)
C20H22N6OS2

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S1102

>  <Name> (47)
U0126-EtOH

>  <Synonyms> (47)
N/A

>  <Target> (47)
MEK

>  <Form> (47)
Ethanolate

>  <CAS> (47)
1173097-76-1

>  <URL> (47)
http://www.selleckchem.com/products/U0126.html

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

>  <Formula> (48)
C26H30N6O3

>  <MolWeight> (48)
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>  <Cat> (48)
S1107

>  <Name> (48)
Danusertib (PHA-739358)

>  <Synonyms> (48)
N/A 

>  <Target> (48)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (48)
Free Base

>  <CAS> (48)
827318-97-8

>  <URL> (48)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
untitled.cdx
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PLK

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755038-02-9

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N/A 

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c-Met, VEGFR

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

>  <URL> (50)
http://www.selleckchem.com/products/XL880(GSK1363089,EXEL-2880).html

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>  <Mol_ID> (51)
51

>  <Formula> (51)
C19H13F2N7

>  <MolWeight> (51)
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>  <Cat> (51)
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>  <Synonyms> (51)
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>  <Target> (51)
c-Met 

>  <Form> (51)
Free Base

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

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

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>  <Mol_ID> (52)
52

>  <Formula> (52)
C53H83NO14

>  <MolWeight> (52)
958.22442

>  <Cat> (52)
S1120

>  <Name> (52)
Everolimus (RAD001)

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

>  <Target> (52)
mTOR

>  <Form> (52)
Free Base

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

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

$$$$
mln8237.cdx
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>  <Mol_ID> (53)
53

>  <Formula> (53)
C27H20ClFN4O4

>  <MolWeight> (53)
518.9235032

>  <Cat> (53)
S1133

>  <Name> (53)
MLN8237 (Alisertib)

>  <Synonyms> (53)
Alisertib

>  <Target> (53)
Aurora Kinase

>  <Form> (53)
Free Base

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

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

$$$$
XL-184 free base.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (54)
54

>  <Formula> (54)
C28H24FN3O5

>  <MolWeight> (54)
501.5056632

>  <Cat> (54)
S1119

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

>  <Synonyms> (54)
N/A

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

>  <Form> (54)
Free Base

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

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

$$$$
AT9283.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (55)
55

>  <Formula> (55)
C19H23N7O2

>  <MolWeight> (55)
381.43162

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AT9283

>  <Synonyms> (55)
N/A

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

>  <Form> (55)
Free Base

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

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

$$$$

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>  <Mol_ID> (56)
56

>  <Formula> (56)
C22H24FN5O4

>  <MolWeight> (56)
441.4554632

>  <Cat> (56)
S1138

>  <Name> (56)
Brivanib alaninate (BMS-582664)

>  <Synonyms> (56)
N/A 

>  <Target> (56)
VEGFR, FGFR

>  <Form> (56)
Alaninate

>  <CAS> (56)
649735-63-7

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

$$$$
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>  <Mol_ID> (57)
57

>  <Formula> (57)
C17H14N2O3

>  <MolWeight> (57)
294.30466

>  <Cat> (57)
S1143

>  <Name> (57)
AG-490 (Tyrphostin B42)

>  <Synonyms> (57)
N/A

>  <Target> (57)
JAK, EGFR

>  <Form> (57)
Free Base

>  <CAS> (57)
133550-30-8 

>  <URL> (57)
http://www.selleckchem.com/products/AG-490.html

$$$$
untitled.cdx
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>  <Mol_ID> (58)
58

>  <Formula> (58)
C17H24N4O2S2

>  <MolWeight> (58)
380.52806

>  <Cat> (58)
S1145

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

>  <Synonyms> (58)
BMS-387032

>  <Target> (58)
CDK 

>  <Form> (58)
Free Base

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

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

$$$$
untitled.cdx
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AZD1152 

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Aurora Kinase

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Free Base

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722544-51-6

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

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>  <Formula> (60)
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S1152

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PLX-4720

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N/A

>  <Target> (60)
Raf 

>  <Form> (60)
Free Base

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

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

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

>  <Synonyms> (61)
N/A 

>  <Target> (61)
CDK 

>  <Form> (61)
Free Base

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

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

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

>  <Formula> (62)
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CP-724714

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N/A

>  <Target> (62)
EGFR, HER2

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

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

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693228-63-6

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c-Kit, Raf, VEGFR

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Free Base

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755037-03-7

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http://www.selleckchem.com/products/BAY-73-4506.html

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WZ8040

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N/A

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EGFR

>  <Form> (69)
Free Base

>  <CAS> (69)
1214265-57-2

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

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N/A 

>  <Target> (70)
Flt, Aurora Kinase, VEGFR

>  <Form> (70)
Tartaric Acid 

>  <CAS> (70)
934353-76-1

>  <URL> (70)
http://www.selleckchem.com/products/ENMD-2076.html

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71

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>  <CAS> (71)
1012054-59-9

>  <URL> (71)
http://www.selleckchem.com/products/CUDC-101.html

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>  <Mol_ID> (72)
72

>  <Formula> (72)
C22H19ClN4O5

>  <MolWeight> (72)
454.86306

>  <Cat> (72)
S1207

>  <Name> (72)
Tivozanib (AV-951)

>  <Synonyms> (72)
N/A 

>  <Target> (72)
VEGFR, c-Kit, PDGFR

>  <Form> (72)
Free Base

>  <CAS> (72)
475108-18-0

>  <URL> (72)
http://www.selleckchem.com/products/AV-951.html

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (73)
73

>  <Formula> (73)
C27H30ClNO11

>  <MolWeight> (73)
579.9802

>  <Cat> (73)
S1208

>  <Name> (73)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (73)
N/A 

>  <Target> (73)
Topoisomerase

>  <Form> (73)
Hydrochloride

>  <CAS> (73)
25316-40-9

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

$$$$
OSI-930.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (74)
74

>  <Formula> (74)
C22H16F3N3O2S

>  <MolWeight> (74)
443.4415496

>  <Cat> (74)
S1220

>  <Name> (74)
OSI-930

>  <Synonyms> (74)
N/A

>  <Target> (74)
c-Kit, VEGFR

>  <Form> (74)
Free Base

>  <CAS> (74)
728033-96-3

>  <URL> (74)
http://www.selleckchem.com/products/OSI-930.html

$$$$
KU-0063794.cdx
csChFnd80/08142011062D

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mTOR 

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Free Base

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938440-64-3

>  <URL> (75)
http://www.selleckchem.com/products/KU-0063794.html

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>  <Target> (76)
c-Met, c-Kit, PDGFR, Flt, c-RET

>  <Form> (76)
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>  <CAS> (76)
850879-09-3

>  <URL> (76)
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Leflunomide

>  <Synonyms> (77)
Arava

>  <Target> (77)
Dehydrogenase

>  <Form> (77)
Free Base

>  <CAS> (77)
75706-12-6

>  <URL> (77)
http://www.selleckchem.com/products/Leflunomide.html

$$$$
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78

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C15H12F2N6O3S

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394.3559864

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S1249

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JNJ-7706621

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N/A 

>  <Target> (78)
CDK, Aurora Kinase

>  <Form> (78)
Free Base

>  <CAS> (78)
443797-96-4

>  <URL> (78)
http://www.selleckchem.com/products/JNJ-7706621.html

$$$$
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FGFR, VEGFR

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219580-11-7

>  <URL> (79)
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918504-65-1

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http://www.selleckchem.com/products/PLX-4032.html

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EGFR

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446-72-0

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875337-44-3

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85

>  <Formula> (85)
C21H24NNaO8S

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Rigosertib (ON-01910)

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ON-01910

>  <Target> (85)
PLK

>  <Form> (85)
Sodium Salt

>  <CAS> (85)
1225497-78-8

>  <URL> (85)
http://www.selleckchem.com/products/ON-01910.html

$$$$
KI8751.cdx
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N/A

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VEGFR, c-Kit, PDGFR

>  <Form> (86)
Free Base

>  <CAS> (86)
228559-41-9

>  <URL> (86)
http://www.selleckchem.com/products/Ki8751.html

$$$$
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87

>  <Formula> (87)
C22H19Cl3N8

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>  <Cat> (87)
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CHIR-99021 (CT99021) HCl

>  <Synonyms> (87)
N/A

>  <Target> (87)
PI3K/Akt/mTOR

>  <Form> (87)
Hydrochloride

>  <CAS> (87)
252917-06-9 (free base)

>  <URL> (87)
http://www.selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$
Pelitinib.cdx
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (88)
88

>  <Formula> (88)
C24H23ClFN5O2

>  <MolWeight> (88)
467.9231232

>  <Cat> (88)
S1392

>  <Name> (88)
Pelitinib (EKB-569)

>  <Synonyms> (88)
WAY-EKB 569

>  <Target> (88)
EGFR

>  <Form> (88)
Free Base

>  <CAS> (88)
257933-82-7

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

$$$$
resveratrol.cdx
csChFnd80/08142011062D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C14H12O3

>  <MolWeight> (89)
228.24328

>  <Cat> (89)
S1396

>  <Name> (89)
Resveratrol

>  <Synonyms> (89)
N/A

>  <Target> (89)
Sirtuin

>  <Form> (89)
Free Base

>  <CAS> (89)
501-36-0

>  <URL> (89)
http://www.selleckchem.com/products/Resveratrol.html

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (90)
90

>  <Formula> (90)
C31H31ClFN7O2

>  <MolWeight> (90)
588.0749432

>  <Cat> (90)
S1451

>  <Name> (90)
Aurora A Inhibitor I

>  <Synonyms> (90)
N/A

>  <Target> (90)
Aurora Kinase

>  <Form> (90)
Free Base

>  <CAS> (90)
1158838-45-9

>  <URL> (90)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
PHA-6806320.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (91)
91

>  <Formula> (91)
C28H35N7O2

>  <MolWeight> (91)
501.6232

>  <Cat> (91)
S1454

>  <Name> (91)
PHA-680632

>  <Synonyms> (91)
N/A

>  <Target> (91)
Aurora Kinase

>  <Form> (91)
Free Base

>  <CAS> (91)
398493-79-3

>  <URL> (91)
http://www.selleckchem.com/products/PHA-680632.html

$$$$
Thiazovivin.cdx
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JNK

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129-56-6

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VEGFR, PDGFR , FGFR 

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252916-29-3

>  <URL> (94)
http://www.selleckchem.com/products/TSU-68(SU6668).html

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GSK429286A.cdx
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864082-47-3

>  <URL> (95)
http://www.selleckchem.com/products/GSK429286A.html

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1236699-92-5

>  <URL> (96)
http://www.selleckchem.com/products/AS703026.html

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PLK 

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173529-46-9 

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http://www.selleckchem.com/products/HMN-214.html

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593960-11-3

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>  <Target> (102)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

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Free Base

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943319-70-8

>  <URL> (102)
http://www.selleckchem.com/products/AP24534.html

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103

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C24H22O6

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406.42788

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Palomid 529

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P529

>  <Target> (103)
mTOR

>  <Form> (103)
Free Base

>  <CAS> (103)
914913-88-5

>  <URL> (103)
http://www.selleckchem.com/products/Palomid-529-P529.html

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PI3K, mTOR

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1349796-36-6

>  <URL> (104)
http://www.selleckchem.com/products/XL765(SAR245409).html#

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844442-38-2

>  <URL> (105)
http://www.selleckchem.com/products/AT7519.html

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>  <Target> (106)
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>  <Form> (106)
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>  <CAS> (106)
955365-80-7

>  <URL> (106)
http://www.selleckchem.com/products/MK-1775.html

$$$$
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>  <Formula> (107)
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>  <Synonyms> (107)
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>  <Target> (107)
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>  <Form> (107)
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>  <CAS> (107)
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>  <URL> (107)
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Syk 

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Free Base

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841290-80-0

>  <URL> (112)
http://www.selleckchem.com/products/R406(free-base).html

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113

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C25H31N5O4

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AZD8055

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N/A 

>  <Target> (113)
mTOR

>  <Form> (113)
Free Base

>  <CAS> (113)
1009298-09-2

>  <URL> (113)
http://www.selleckchem.com/products/AZD8055.html

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>  <Mol_ID> (114)
114

>  <Formula> (114)
C20H31N3O2S2

>  <MolWeight> (114)
409.60904

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S1556

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PHT-427

>  <Synonyms> (114)
N/A 

>  <Target> (114)
Akt, PDK-1

>  <Form> (114)
Free Base

>  <CAS> (114)
1191951-57-1

>  <URL> (114)
http://www.selleckchem.com/products/PHT-427.html

$$$$
KRN633.cdx
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>  <Mol_ID> (115)
115

>  <Formula> (115)
C20H21ClN4O4

>  <MolWeight> (115)
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>  <Cat> (115)
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>  <Name> (115)
KRN 633

>  <Synonyms> (115)
N/A 

>  <Target> (115)
VEGFR, PDGFR

>  <Form> (115)
Free Base

>  <CAS> (115)
286370-15-8

>  <URL> (115)
http://www.selleckchem.com/products/KRN-633.html

$$$$
AT7867.cdx
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>  <Mol_ID> (116)
116

>  <Formula> (116)
C20H20ClN3

>  <MolWeight> (116)
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AT7867

>  <Synonyms> (116)
N/A

>  <Target> (116)
Akt, S6 kinase

>  <Form> (116)
Free Base

>  <CAS> (116)
857531-00-1

>  <URL> (116)
http://www.selleckchem.com/products/AT7867.html

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c-Met

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Free Base

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1025720-94-8

>  <URL> (117)
http://www.selleckchem.com/products/BMS-777607.html

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>  <Mol_ID> (118)
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MEK 

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391210-00-7 

>  <URL> (118)
http://www.selleckchem.com/products/PD318088.html

$$$$
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ATM 

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Free Base

>  <CAS> (119)
925701-49-1

>  <URL> (119)
http://www.selleckchem.com/products/KU-60019.html

$$$$
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>  <Mol_ID> (120)
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BS-181 HCl

>  <Synonyms> (120)
N/A

>  <Target> (120)
CDK 

>  <Form> (120)
Hydrochloride

>  <CAS> (120)
1397219-81-6

>  <URL> (120)
http://www.selleckchem.com/products/BS-181.html

$$$$
Fasudil HCl.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C14H18ClN3O2S

>  <MolWeight> (121)
327.82962

>  <Cat> (121)
S1573

>  <Name> (121)
Fasudil HCl (HA-1077)

>  <Synonyms> (121)
AT-877 

>  <Target> (121)
ROCK

>  <Form> (121)
Hydrochloride

>  <CAS> (121)
105628-07-7

>  <URL> (121)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/08142011062D

 39 43  0  0  0  0  0  0  0  0999 V2000
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 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C31H37N5O3

>  <MolWeight> (122)
527.65718

>  <Cat> (122)
S1574

>  <Name> (122)
BIRB 796 (Doramapimod)

>  <Synonyms> (122)
N/A

>  <Target> (122)
p38 MAPK

>  <Form> (122)
Free Base

>  <CAS> (122)
285983-48-4

>  <URL> (122)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/08142011062D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C26H21N3O2S

>  <MolWeight> (123)
439.52884

>  <Cat> (123)
S1577

>  <Name> (123)
Tie2 kinase inhibitor

>  <Synonyms> (123)
N/A

>  <Target> (123)
Tie-2

>  <Form> (123)
Free Base

>  <CAS> (123)
948557-43-5

>  <URL> (123)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

$$$$

csChFnd80/08142011062D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C27H30Cl2F2N6O

>  <MolWeight> (124)
563.4695064

>  <Cat> (124)
S2686

>  <Name> (124)
NVP-BSK805 2HCl

>  <Synonyms> (124)
N/A

>  <Target> (124)
JAK

>  <Form> (124)
HCl

>  <CAS> (124)
1092499-93-8 (free base)

>  <URL> (124)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/08142011062D

 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> (125)
125

>  <Formula> (125)
C5H9NO3S

>  <MolWeight> (125)
163.19486

>  <Cat> (125)
S1623

>  <Name> (125)
Acetylcysteine

>  <Synonyms> (125)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (125)
AChR

>  <Form> (125)
Free Base

>  <CAS> (125)
616-91-1

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

$$$$
Artemisinin.cdx
csChFnd80/08142011062D

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

>  <Formula> (126)
C15H22O5

>  <MolWeight> (126)
282.33218

>  <Cat> (126)
S1282

>  <Name> (126)
Artemisinin

>  <Synonyms> (126)
Qinghaosu

>  <Target> (126)
Antifection

>  <Form> (126)
Free Base

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

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

$$$$
APRISO (mesalamine).cdx
csChFnd80/08142011062D

 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> (127)
127

>  <Formula> (127)
C7H7NO3

>  <MolWeight> (127)
153.13538

>  <Cat> (127)
S1681

>  <Name> (127)
Mesalamine (Lialda)

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

>  <Target> (127)
I¦ÊB/IKK

>  <Form> (127)
Free Base

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

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

$$$$
DCC-2036.cdx
csChFnd80/08142011062D

 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> (128)
128

>  <Formula> (128)
C30H28FN7O3

>  <MolWeight> (128)
553.5868232

>  <Cat> (128)
S2634

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

>  <Synonyms> (128)
N/A 

>  <Target> (128)
Bcr-Abl

>  <Form> (128)
Free Base

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

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

$$$$
Pitavastatin calcium.cdx
csChFnd80/08142011062D

 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
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    5.0421   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6173   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   17.8076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363   12.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150   12.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2938   11.1190    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    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
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   10.5146   15.6518    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    0.1925    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4049   -2.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8297    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363   -2.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9151   -3.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C50H46CaF2N2O8

>  <MolWeight> (129)
880.9836464

>  <Cat> (129)
S1759

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

>  <Synonyms> (129)
Livalo

>  <Target> (129)
HMG-CoA Reductase

>  <Form> (129)
Calcium salt

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

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

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/08142011062D

 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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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  3 10  1  0  0  0  0
 11  9  1  6  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
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 13 18  1  1  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (130)
130

>  <Formula> (130)
C10H13N5O4

>  <MolWeight> (130)
267.24132

>  <Cat> (130)
S1784

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

>  <Synonyms> (130)
Vira-A

>  <Target> (130)
5-alpha Reductase 

>  <Form> (130)
Free Base

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

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

$$$$
ADALAT (nifedipine).cdx
csChFnd80/08142011062D

 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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    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
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  4 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C17H18N2O6

>  <MolWeight> (131)
346.33462

>  <Cat> (131)
S1808

>  <Name> (131)
Nifedipine (Adalat)

>  <Synonyms> (131)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (131)
Calcium Channel

>  <Form> (131)
Free Base

>  <CAS> (131)
21829-25-4

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

$$$$
Baricitinib.cdx
csChFnd80/08142011062D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.7433    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7634    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  3  0  0  0  0
  3  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
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 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  3  8  1  0  0  0  0
 22 23  2  0  0  0  0
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 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C16H17N7O2S

>  <MolWeight> (132)
371.41688

>  <Cat> (132)
S2851

>  <Name> (132)
Baricitinib (LY3009104)

>  <Synonyms> (132)
INCB 28050

>  <Target> (132)
JAK

>  <Form> (132)
Free Base

>  <CAS> (132)
1187594-09-7

>  <URL> (132)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

$$$$
Methylthiouracil.cdx
csChFnd80/08142011062D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (133)
133

>  <Formula> (133)
C5H6N2OS

>  <MolWeight> (133)
142.17894

>  <Cat> (133)
S3138

>  <Name> (133)
Methylthiouracil

>  <Synonyms> (133)
N/A

>  <Target> (133)
Others

>  <Form> (133)
Free Base

>  <CAS> (133)
20547

>  <URL> (133)
http://www.selleckchem.com/products/methylthiouracil.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/08142011062D

 10  8  0  0  0  0  0  0  0  0999 V2000
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    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  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> (134)
134

>  <Formula> (134)
C4H12ClN5

>  <MolWeight> (134)
165.62458

>  <Cat> (134)
S1950

>  <Name> (134)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (134)
Glucophage, Riomet, Diabex

>  <Target> (134)
Others

>  <Form> (134)
Hydrochloride

>  <CAS> (134)
1115-70-4

>  <URL> (134)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Biochanin A.cdx
csChFnd80/08142011062D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (135)
135

>  <Formula> (135)
C16H12O5

>  <MolWeight> (135)
284.26348

>  <Cat> (135)
S2377

>  <Name> (135)
Biochanin A (4-Methylgenistein)

>  <Synonyms> (135)
4-Methylgenistein

>  <Target> (135)
FAAH

>  <Form> (135)
Free Base

>  <CAS> (135)
491-80-5

>  <URL> (135)
http://www.selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

$$$$
Diosmetin.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (136)
136

>  <Formula> (136)
C16H12O6

>  <MolWeight> (136)
300.26288

>  <Cat> (136)
S2380

>  <Name> (136)
Diosmetin (Luteolin 4-methyl ether)

>  <Synonyms> (136)
Luteolin 4-methyl ether

>  <Target> (136)
P450 (e.g. CYP17)

>  <Form> (136)
Free Base

>  <CAS> (136)
520-34-3

>  <URL> (136)
http://www.selleckchem.com/products/Diosmetin(Luteolin-4-methyl-ether).html

$$$$
Indirubin.cdx
csChFnd80/08142011062D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (137)
137

>  <Formula> (137)
C16H10N2O2

>  <MolWeight> (137)
262.2628

>  <Cat> (137)
S2386

>  <Name> (137)
Indirubin

>  <Synonyms> (137)
N/A

>  <Target> (137)
GSK-3

>  <Form> (137)
Free Base

>  <CAS> (137)
479-41-4 

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

$$$$
AMG 458.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (138)
138

>  <Formula> (138)
C30H29N5O5

>  <MolWeight> (138)
539.58176

>  <Cat> (138)
S2747

>  <Name> (138)
AMG458

>  <Synonyms> (138)
N/A

>  <Target> (138)
c-Met

>  <Form> (138)
Free Base

>  <CAS> (138)
913376-83-7 

>  <URL> (138)
http://www.selleckchem.com/products/amg458.html

$$$$
Arry-380.cdx
csChFnd80/08142011062D

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802539-81-7

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>  <Mol_ID> (143)
143

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425.48242

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GW788388

>  <Synonyms> (143)
N/A

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TGF-beta/Smad

>  <Form> (143)
Free Base

>  <CAS> (143)
452342-67-5

>  <URL> (143)
http://www.selleckchem.com/products/gw788388.html

$$$$
Lapatinib freebase.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (144)
144

>  <Formula> (144)
C29H26ClFN4O4S

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>  <Cat> (144)
S2111

>  <Name> (144)
Lapatinib

>  <Synonyms> (144)
N/A

>  <Target> (144)
EGFR, HER2

>  <Form> (144)
Free Base

>  <CAS> (144)
231277-92-2

>  <URL> (144)
http://www.selleckchem.com/products/lapatinib.html

$$$$
NVP-BGT226.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (145)
145

>  <Formula> (145)
C32H29F3N6O6

>  <MolWeight> (145)
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>  <Cat> (145)
S2749

>  <Name> (145)
NVP-BGT226

>  <Synonyms> (145)
N/A 

>  <Target> (145)
PI3K, mTOR

>  <Form> (145)
Maleate

>  <CAS> (145)
1245537-68-1

>  <URL> (145)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
csChFnd80/08142011062D

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PI3K 

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371942-69-7

>  <URL> (146)
http://www.selleckchem.com/products/ym201636.html

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csChFnd80/08142011062D

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IGF-1R

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65678-07-1

>  <URL> (147)
http://www.selleckchem.com/products/ag-1024-tyrphostin.html

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3-Methyladenine.cdx
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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> (148)
http://www.selleckchem.com/products/3-methyladenine.html

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149

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C23H19N3O2

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S2753

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ARQ 197 (Tivantinib)

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N/A 

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c-Met

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Free Base

>  <CAS> (149)
905854-02-6

>  <URL> (149)
http://www.selleckchem.com/products/arq-197.html

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150

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C23H26IN7O2S

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BX-795

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702675-74-9

>  <URL> (150)
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>  <Mol_ID> (151)
151

>  <Formula> (151)
C20H23BrN8O

>  <MolWeight> (151)
471.35362

>  <Cat> (151)
S1275

>  <Name> (151)
BX-912

>  <Synonyms> (151)
N/A

>  <Target> (151)
PDK-1 

>  <Form> (151)
Free Base

>  <CAS> (151)
702674-56-4

>  <URL> (151)
http://www.selleckchem.com/products/bx-912.html

$$$$
NVP-BVU972.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (152)
152

>  <Formula> (152)
C20H16N6

>  <MolWeight> (152)
340.38124

>  <Cat> (152)
S2761

>  <Name> (152)
NVP-BVU972

>  <Synonyms> (152)
N/A

>  <Target> (152)
c-Met

>  <Form> (152)
Free Base

>  <CAS> (152)
1185763-69-2

>  <URL> (152)
http://www.selleckchem.com/products/nvp-bvu972.html

$$$$
CUDC-907.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (153)
153

>  <Formula> (153)
C23H24N8O4S

>  <MolWeight> (153)
508.55286

>  <Cat> (153)
S2759

>  <Name> (153)
CUDC-907

>  <Synonyms> (153)
N/A

>  <Target> (153)
HDAC, PI3K

>  <Form> (153)
Free Base

>  <CAS> (153)
1339928-25-4

>  <URL> (153)
http://www.selleckchem.com/products/cudc-907.html

$$$$

csChFnd80/08142011062D

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>  <Mol_ID> (154)
154

>  <Formula> (154)
C27H33FN6O7

>  <MolWeight> (154)
572.5853232

>  <Cat> (154)
S2769

>  <Name> (154)
Dovitinib Dilactic acid (TKI258 Dilactic aci

>  <Synonyms> (154)
CHIR-258 Dilactic acid 

>  <Target> (154)
Flt, FGFR, PDGFR, VEGFR, c-Kit

>  <Form> (154)
Dilactic Acid 

>  <CAS> (154)
852433-84-2

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

$$$$
AST-1306.cdx
csChFnd80/08142011062D

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http://www.selleckchem.com/products/bms-265246.html

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694433-59-5

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http://www.selleckchem.com/products/sb-505124.html

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M  END
>  <Mol_ID> (159)
159

>  <Formula> (159)
C14H11N3O3S

>  <MolWeight> (159)
301.32044

>  <Cat> (159)
S2775

>  <Name> (159)
Nocodazole

>  <Synonyms> (159)
N/A 

>  <Target> (159)
Microtubule Associated

>  <Form> (159)
Free Base

>  <CAS> (159)
31430-18-9

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

$$$$
AZD2014.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (160)
160

>  <Formula> (160)
C25H30N6O3

>  <MolWeight> (160)
462.5441

>  <Cat> (160)
S2783

>  <Name> (160)
Vistusertib (AZD2014)

>  <Synonyms> (160)
N/A 

>  <Target> (160)
mTOR

>  <Form> (160)
Free Base

>  <CAS> (160)
1009298-59-2

>  <URL> (160)
http://www.selleckchem.com/products/azd2014.html

$$$$
TAK-285.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (161)
161

>  <Formula> (161)
C26H25ClF3N5O3

>  <MolWeight> (161)
547.9566096

>  <Cat> (161)
S2784

>  <Name> (161)
TAK-285

>  <Synonyms> (161)
N/A

>  <Target> (161)
EGFR, HER2

>  <Form> (161)
Free Base

>  <CAS> (161)
871026-44-7

>  <URL> (161)
http://www.selleckchem.com/products/tak-285.html

$$$$
CP-690550.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (162)
162

>  <Formula> (162)
C16H20N6O

>  <MolWeight> (162)
312.3696

>  <Cat> (162)
S2789

>  <Name> (162)
Tofacitinib (CP-690550, Tasocitinib)

>  <Synonyms> (162)
Tasocitinib 

>  <Target> (162)
JAK

>  <Form> (162)
Free Base

>  <CAS> (162)
477600-75-2

>  <URL> (162)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

$$$$
WP1066.cdx
csChFnd80/08142011062D

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10083-24-6

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

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PKC 

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425637-18-9

>  <URL> (165)
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mTOR

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Free Base

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1223001-51-1

>  <URL> (171)
http://www.selleckchem.com/products/torin-2.html

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csChFnd80/08142011062D

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Alpelisib (BYL719)

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N/A 

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PI3K

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Free Base

>  <CAS> (172)
1217486-61-7

>  <URL> (172)
http://www.selleckchem.com/products/byl719.html

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csChFnd80/08142011062D

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>  <Mol_ID> (173)
173

>  <Formula> (173)
C24H26N6O2S

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462.56724

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S2806

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CEP33779

>  <Synonyms> (173)
N/A

>  <Target> (173)
JAK

>  <Form> (173)
Free Base

>  <CAS> (173)
1257704-57-6

>  <URL> (173)
http://www.selleckchem.com/products/cep33779.html

$$$$
NVP-TAE226.cdx
csChFnd80/08142011062D

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174

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NVP-TAE226

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N/A 

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FAK

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Free Base

>  <CAS> (174)
761437-28-9

>  <URL> (174)
http://www.selleckchem.com/products/nvp-tae226.html

$$$$
Quercetin.cdx
csChFnd80/08142011062D

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175

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C15H10O7

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PI3K, PKC, Src, Sirtuin

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>  <CAS> (175)
117-39-5

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

$$$$
Salidroside.cdx
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417716-92-8

>  <URL> (177)
http://www.selleckchem.com/products/E7080.html

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MEK

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869357-68-6

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

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1000669-72-6

>  <URL> (179)
http://www.selleckchem.com/products/KW-2449.html

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Raf, VEGFR

>  <Form> (180)
Free Base

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927880-90-8

>  <URL> (180)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

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C9H6O4

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S2554

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Daphnetin

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N/A 

>  <Target> (181)
DNA/RNA Synthesis

>  <Form> (181)
Free Base

>  <CAS> (181)
486-35-1

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

$$$$
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>  <Mol_ID> (182)
182

>  <Formula> (182)
C23H25ClFN7O

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S2179

>  <Name> (182)
Gandotinib (LY2784544)

>  <Synonyms> (182)
N/A

>  <Target> (182)
JAK 

>  <Form> (182)
Free Base

>  <CAS> (182)
1229236-86-5

>  <URL> (182)
http://www.selleckchem.com/products/LY2784544.html

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>  <Mol_ID> (183)
183

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AZD8931

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>  <Target> (183)
EGFR, HER2

>  <Form> (183)
Free Base

>  <CAS> (183)
848942-61-0

>  <URL> (183)
http://www.selleckchem.com/products/AZD8931.html

$$$$
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Besylate

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841290-81-1

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1174046-72-0

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>  <Formula> (188)
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N/A

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VEGFR, Src, Raf, Bcr-Abl

>  <Form> (188)
Free Base

>  <CAS> (188)
940310-85-0

>  <URL> (188)
http://www.selleckchem.com/products/NVP-BHG712.html

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OSI 420.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (189)
189

>  <Formula> (189)
C21H22ClN3O4

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S2205

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OSI-420 (Desmethyl Erlotinib)

>  <Synonyms> (189)
CP-473420 

>  <Target> (189)
EGFR

>  <Form> (189)
Hydrochloride

>  <CAS> (189)
183320-51-6

>  <URL> (189)
http://www.selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

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PIK 293.cdx
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>  <Mol_ID> (190)
190

>  <Formula> (190)
C22H19N7O

>  <MolWeight> (190)
397.43256

>  <Cat> (190)
S2207

>  <Name> (190)
PIK-293

>  <Synonyms> (190)
N/A

>  <Target> (190)
PI3K

>  <Form> (190)
Free Base

>  <CAS> (190)
900185-01-5 

>  <URL> (190)
http://www.selleckchem.com/products/PIK-293.html

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csChFnd80/08142011062D

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>  <Mol_ID> (191)
191

>  <Formula> (191)
C18H16F2N6

>  <MolWeight> (191)
354.3566464

>  <Cat> (191)
S2214

>  <Name> (191)
AZ 960

>  <Synonyms> (191)
N/A

>  <Target> (191)
JAK

>  <Form> (191)
Free Base

>  <CAS> (191)
905586-69-8

>  <URL> (191)
http://www.selleckchem.com/products/AZ-960.html

$$$$
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HER2

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Free Base

>  <CAS> (192)
366017-09-6

>  <URL> (192)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

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>  <Target> (193)
mTOR

>  <Form> (193)
Free Base

>  <CAS> (193)
1092351-67-1

>  <URL> (193)
http://www.selleckchem.com/products/PP242.html

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Momelotinib (CYT387)

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>  <Target> (194)
JAK 

>  <Form> (194)
Free Base

>  <CAS> (194)
1056634-68-4

>  <URL> (194)
http://www.selleckchem.com/products/Cyt387.html

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405554-55-4 

>  <URL> (195)
http://www.selleckchem.com/products/SB590885.html

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  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 14  1  0  0  0  0
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 18 12  1  0  0  0  0
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 22 32  1  0  0  0  0
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M  END
>  <Mol_ID> (196)
196

>  <Formula> (196)
C22H18O11

>  <MolWeight> (196)
458.37172

>  <Cat> (196)
S2250

>  <Name> (196)
(-)-Epigallocatechin gallate

>  <Synonyms> (196)
EGCG

>  <Target> (196)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (196)
Free Base

>  <CAS> (196)
989-51-5

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

$$$$
(+)-Usniacin.cdx
csChFnd80/08142011062D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  4  2  0  0  0  0
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  1  7  1  0  0  0  0
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  6 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  5  1  0  0  0  0
 13 15  1  0  0  0  0
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 18 14  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  5 25  1  6  0  0  0
M  END
>  <Mol_ID> (197)
197

>  <Formula> (197)
C18H16O7

>  <MolWeight> (197)
344.31544

>  <Cat> (197)
S2252

>  <Name> (197)
(+)-Usniacin (D-Usnic acid)

>  <Synonyms> (197)
D-Usnic acid

>  <Target> (197)
Others

>  <Form> (197)
Free Base

>  <CAS> (197)
7562-61-0

>  <URL> (197)
http://www.selleckchem.com/products/(+)-Usniacin(D-Usnic-acid).html

$$$$
AESCULIN.cdx
csChFnd80/08142011062D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.6289    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  9 12  2  0  0  0  0
  2 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 14  1  0  0  0  0
 16 20  1  1  0  0  0
 18 21  1  1  0  0  0
 20 22  1  0  0  0  0
 17 23  1  6  0  0  0
 19 24  1  6  0  0  0
M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C15H16O9

>  <MolWeight> (198)
340.28214

>  <Cat> (198)
S2258

>  <Name> (198)
Aesculin (Esculin)

>  <Synonyms> (198)
Esculin

>  <Target> (198)
Others

>  <Form> (198)
Free Base

>  <CAS> (198)
531-75-9

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

$$$$
Apigenin.cdx
csChFnd80/08142011062D

 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
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 10  4  1  0  0  0  0
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 14 15  2  0  0  0  0
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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (199)
199

>  <Formula> (199)
C15H10O5

>  <MolWeight> (199)
270.2369

>  <Cat> (199)
S2262

>  <Name> (199)
Apigenin

>  <Synonyms> (199)
N/A

>  <Target> (199)
P450

>  <Form> (199)
Free Base

>  <CAS> (199)
520-36-5

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

$$$$
Asiatic acid.cdx
csChFnd80/08142011062D

 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
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 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> (200)
200

>  <Formula> (200)
C30H48O5

>  <MolWeight> (200)
488.69912

>  <Cat> (200)
S2266

>  <Name> (200)
Asiatic acid

>  <Synonyms> (200)
N/A

>  <Target> (200)
p38 MAPK

>  <Form> (200)
Free Base

>  <CAS> (200)
464-92-6

>  <URL> (200)
http://www.selleckchem.com/products/Asiatic-acid.html

$$$$
Emodin.cdx
csChFnd80/08142011062D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    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> (201)
201

>  <Formula> (201)
C15H10O5

>  <MolWeight> (201)
270.2369

>  <Cat> (201)
S2295

>  <Name> (201)
Emodin

>  <Synonyms> (201)
N/A

>  <Target> (201)
Dehydrogenase

>  <Form> (201)
Free Base

>  <CAS> (201)
518-82-1

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

$$$$
Formononetin.cdx
csChFnd80/08142011062D

 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> (202)
202

>  <Formula> (202)
C16H12O4

>  <MolWeight> (202)
268.26408

>  <Cat> (202)
S2299

>  <Name> (202)
Formononetin (Formononetol)

>  <Synonyms> (202)
Biochanin B, Formononetol 

>  <Target> (202)
Others

>  <Form> (202)
Free Base

>  <CAS> (202)
485-72-3

>  <URL> (202)
http://www.selleckchem.com/products/Formononetin(Formononetol).html

$$$$
Fumalic acid.cdx
csChFnd80/08142011062D

 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> (203)
203

>  <Formula> (203)
C10H10O4

>  <MolWeight> (203)
194.184

>  <Cat> (203)
S2300

>  <Name> (203)
Fumalic acid (Ferulic acid)

>  <Synonyms> (203)
Ferulic acid

>  <Target> (203)
Others

>  <Form> (203)
Free Base

>  <CAS> (203)
1135-24-6

>  <URL> (203)
http://www.selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

$$$$
Hesperetin.cdx
csChFnd80/08142011062D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (204)
204

>  <Formula> (204)
C16H14O6

>  <MolWeight> (204)
302.27876

>  <Cat> (204)
S2308

>  <Name> (204)
Hesperetin

>  <Synonyms> (204)
N/A

>  <Target> (204)
Histamine Receptor

>  <Form> (204)
Free Base

>  <CAS> (204)
520-33-2

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

$$$$
Honokiol.cdx
csChFnd80/08142011062D

 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> (205)
205

>  <Formula> (205)
C18H18O2

>  <MolWeight> (205)
266.33432

>  <Cat> (205)
S2310

>  <Name> (205)
Honokiol

>  <Synonyms> (205)
N/A

>  <Target> (205)
Akt, MEK

>  <Form> (205)
Free Base

>  <CAS> (205)
35354-74-6

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

$$$$
Myricetin.cdx
csChFnd80/08142011062D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (206)
206

>  <Formula> (206)
C15H10O8

>  <MolWeight> (206)
318.2351

>  <Cat> (206)
S2326

>  <Name> (206)
Myricetin (Cannabiscetin)

>  <Synonyms> (206)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (206)
NULL

>  <Form> (206)
Free Base

>  <CAS> (206)
529-44-2

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

$$$$
Myricitrin.cdx
csChFnd80/08142011062D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (207)
207

>  <Formula> (207)
C21H20O12

>  <MolWeight> (207)
464.3763

>  <Cat> (207)
S2327

>  <Name> (207)
Myricitrin (Myricitrine)

>  <Synonyms> (207)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (207)
PKC

>  <Form> (207)
Free Base

>  <CAS> (207)
17912-87-7

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/08142011062D

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

>  <Formula> (208)
C15H14O9

>  <MolWeight> (208)
338.26626

>  <Cat> (208)
S2347

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

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

>  <Target> (208)
Others

>  <Form> (208)
Dihydrate

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

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

$$$$
Dihydromyricetin.cdx
csChFnd80/08142011062D

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

>  <Formula> (209)
C15H12O8

>  <MolWeight> (209)
320.25098

>  <Cat> (209)
S2399

>  <Name> (209)
Dihydromyricetin (Ampeloptin)

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

>  <Target> (209)
Others

>  <Form> (209)
Free Base

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

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

$$$$
Sophocarpine.cdx
csChFnd80/08142011062D

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

>  <Formula> (210)
C15H22N2O

>  <MolWeight> (210)
246.34798

>  <Cat> (210)
S2405

>  <Name> (210)
Sophocarpine

>  <Synonyms> (210)
N/A

>  <Target> (210)
Others

>  <Form> (210)
Free Base

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

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

$$$$
Chrysophanic acid.cdx
csChFnd80/08142011062D

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

>  <Formula> (211)
C15H10O4

>  <MolWeight> (211)
254.2375

>  <Cat> (211)
S2406

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

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

>  <Target> (211)
EGFR, mTOR

>  <Form> (211)
Free Base

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

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

$$$$
Curcumol.cdx
csChFnd80/08142011062D

 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
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M  END
>  <Mol_ID> (212)
212

>  <Formula> (212)
C15H24O2

>  <MolWeight> (212)
236.34986

>  <Cat> (212)
S2407

>  <Name> (212)
Curcumol

>  <Synonyms> (212)
N/A

>  <Target> (212)
JAK

>  <Form> (212)
Free Base

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

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

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C18H29ClN2O

>  <MolWeight> (213)
324.88866

>  <Cat> (213)
S2454

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

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

>  <Target> (213)
Sodium Channel

>  <Form> (213)
Hydrochloride

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

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

$$$$
Imatinib.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (214)
214

>  <Formula> (214)
C29H31N7O

>  <MolWeight> (214)
493.60274

>  <Cat> (214)
S2475

>  <Name> (214)
Imatinib (STI571) 

>  <Synonyms> (214)
STI571, Glivec

>  <Form> (214)
Free Base

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

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

$$$$
PCI-32765.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (215)
215

>  <Formula> (215)
C25H24N6O2

>  <MolWeight> (215)
440.49706

>  <Cat> (215)
S2680

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

>  <Synonyms> (215)
N/A

>  <Target> (215)
Src

>  <Form> (215)
Free Base

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

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

$$$$
TAK-901.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (216)
216

>  <Formula> (216)
C28H32N4O3S

>  <MolWeight> (216)
504.64368

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

>  <Synonyms> (216)
N/A

>  <Target> (216)
Aurora Kinase

>  <Form> (216)
Free Base

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

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

$$$$
TG1012009.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (217)
217

>  <Formula> (217)
C26H35N7O2S

>  <MolWeight> (217)
509.6668

>  <Cat> (217)
S2692

>  <Name> (217)
TG101209

>  <Synonyms> (217)
N/A

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

>  <Form> (217)
Free Base

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

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

$$$$
AMG900.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (218)
218

>  <Formula> (218)
C28H21N7OS

>  <MolWeight> (218)
503.57764

>  <Cat> (218)
S2719

>  <Name> (218)
AMG 900

>  <Synonyms> (218)
N/A

>  <Target> (218)
Aurora Kinase

>  <Form> (218)
Free Base

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

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

$$$$

csChFnd80/08142011062D

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>  <Mol_ID> (219)
219

>  <Formula> (219)
C22H30Cl2N4O6

>  <MolWeight> (219)
517.4028

>  <Cat> (219)
S2485

>  <Name> (219)
Mitoxantrone 2HCl

>  <Synonyms> (219)
NSC-301739

>  <Target> (219)
Topoisomerase

>  <Form> (219)
Dihydrochloride

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

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

$$$$
GSK2126458.cdx
csChFnd80/08142011062D

 36 40  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    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    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.7000    0.0000 F   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  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 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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 25 26  2  0  0  0  0
 17 26  1  0  0  0  0
 21 26  1  0  0  0  0
 27 28  1  0  0  0  0
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 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
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  4 35  1  0  0  0  0
  2 36  1  0  0  0  0
M  END
>  <Mol_ID> (220)
220

>  <Formula> (220)
C25H17F2N5O3S

>  <MolWeight> (220)
505.4959864

>  <Cat> (220)
S2658

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

>  <Synonyms> (220)
N/A 

>  <Target> (220)
PI3K, mTOR

>  <Form> (220)
Free Base

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

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

$$$$
fty720.cdx
csChFnd80/08142011062D

 23 22  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1950    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  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 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
  1 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
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (221)
221

>  <Formula> (221)
C19H34ClNO2

>  <MolWeight> (221)
343.93176

>  <Cat> (221)
S5002

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

>  <Synonyms> (221)
Gilenia 

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

>  <Form> (221)
Hydrochloride

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

$$$$
CP-690550 citrate.cdx
csChFnd80/08142011062D

 36 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9404    1.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.4844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.4844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1486    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    1.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1486    3.7868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    1.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 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 12  1  0  0  0  0
 17 18  1  6  0  0  0
 14 19  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  3  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
 27 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 24 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
M  END
>  <Mol_ID> (222)
222

>  <Formula> (222)
C22H28N6O8

>  <MolWeight> (222)
504.49312

>  <Cat> (222)
S5001

>  <Name> (222)
Tofacitinib citrate (CP-690550 citrate)

>  <Synonyms> (222)
N/A 

>  <Target> (222)
JAK

>  <Form> (222)
Citrate

>  <CAS> (222)
540737-29-9

>  <URL> (222)
http://www.selleckchem.com/products/CP-690550.html

$$$$
CAL-1011.cdx
csChFnd80/08142011062D

 31 35  0  0  0  0  0  0  0  0999 V2000
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    0.0000    6.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    9.9085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    6.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
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  9 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 13 25  2  0  0  0  0
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 28 29  2  0  0  0  0
 29 13  1  0  0  0  0
 14 30  1  6  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (223)
223

>  <Formula> (223)
C22H18FN7O

>  <MolWeight> (223)
415.4230232

>  <Cat> (223)
S2226

>  <Name> (223)
CAL-101 (GS-1101)

>  <Synonyms> (223)
CAL101

>  <Target> (223)
PI3K 

>  <Form> (223)
Free Base

>  <CAS> (223)
870281-82-6

>  <URL> (223)
http://www.selleckchem.com/products/CAL-101.html

$$$$
BI 6727.cdx
csChFnd80/08142011062D

 45 50  0  0  0  0  0  0  0  0999 V2000
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224

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N/A 

>  <Target> (224)
PLK 

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Free Base

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755038-65-4

>  <URL> (224)
http://www.selleckchem.com/products/BI6727-Volasertib.html

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csChFnd80/08142011062D

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>  <Mol_ID> (225)
225

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C28H23N7O2

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S2227

>  <Name> (225)
PIK-294

>  <Synonyms> (225)
N/A 

>  <Target> (225)
PI3K 

>  <Form> (225)
Free Base

>  <CAS> (225)
900185-02-6

>  <URL> (225)
http://www.selleckchem.com/products/PIK-294.html

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/08142011062D

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>  <Mol_ID> (226)
226

>  <Formula> (226)
C20H16ClN5O3

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409.82574

>  <Cat> (226)
S2231

>  <Name> (226)
Telatinib (BAY 57-9352)

>  <Synonyms> (226)
N/A 

>  <Target> (226)
VEGFR, PDGFR, c-Kit

>  <Form> (226)
Free Base

>  <CAS> (226)
332012-40-5

>  <URL> (226)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (227)
227

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C10H16ClN5

>  <MolWeight> (227)
241.72054

>  <Cat> (227)
S2542

>  <Name> (227)
Phenformin hydrochloride 

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N/A

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AMPK

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Hydrochloride 

>  <CAS> (227)
834-28-6

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

$$$$
AZD5438.cdx
csChFnd80/08142011062D

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228

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AZD5438

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N/A 

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CDK

>  <Form> (228)
Free Base

>  <CAS> (228)
602306-29-6 

>  <URL> (228)
http://www.selleckchem.com/products/AZD5438.html

$$$$
OSI-027.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (229)
229

>  <Formula> (229)
C21H22N6O3

>  <MolWeight> (229)
406.43778

>  <Cat> (229)
S2624

>  <Name> (229)
OSI-027

>  <Synonyms> (229)
N/A 

>  <Target> (229)
mTOR

>  <Form> (229)
Free Base

>  <CAS> (229)
936890-98-1

>  <URL> (229)
http://www.selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/08142011062D

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230

>  <Formula> (230)
C17H17N7

>  <MolWeight> (230)
319.36378

>  <Cat> (230)
S2622

>  <Name> (230)
PP-121

>  <Synonyms> (230)
N/A

>  <Target> (230)
DNA-PK, mTOR, PDGF

>  <Form> (230)
Free Base

>  <CAS> (230)
1092788-83-4

>  <URL> (230)
http://www.selleckchem.com/products/PP121.html

$$$$
WP1130.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (231)
231

>  <Formula> (231)
C19H18BrN3O

>  <MolWeight> (231)
384.26972

>  <Cat> (231)
S2243

>  <Name> (231)
Degrasyn (WP1130)

>  <Synonyms> (231)
N/A

>  <Target> (231)
DUB, Bcr-Abl

>  <Form> (231)
Free Base

>  <CAS> (231)
856243-80-6

>  <URL> (231)
http://www.selleckchem.com/products/WP1130.html

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (232)
232

>  <Formula> (232)
C11H18ClNO3

>  <MolWeight> (232)
247.71852

>  <Cat> (232)
S2566

>  <Name> (232)
Isoprenaline hydrochloride

>  <Synonyms> (232)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (232)
Adrenergic Receptor

>  <Form> (232)
Hydrochloride

>  <CAS> (232)
51-30-9

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

$$$$
BKM-120.cdx
csChFnd80/08142011062D

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700874-72-2

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1144068-46-1

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http://www.selleckchem.com/products/wye-125132.html

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1001350-96-4

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http://www.selleckchem.com/products/BMS-754807.html

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601514-19-6

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

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HSP

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Free Base

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30562-34-6

>  <URL> (257)
http://www.selleckchem.com/products/geldanamycin.html

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N/A

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AMPK

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Free Base

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844499-71-4

>  <URL> (258)
http://www.selleckchem.com/products/a-769662.html

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Src

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897016-82-9

>  <URL> (259)
http://www.selleckchem.com/products/kx2-391.html

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1116235-97-2

>  <URL> (260)
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1124329-14-1

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http://www.selleckchem.com/products/az-3146.html

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1007207-67-1

>  <URL> (265)
http://www.selleckchem.com/products/ch5132799.html

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N/A 

>  <Target> (266)
mTOR, PI3K

>  <Form> (266)
Free Base

>  <CAS> (266)
1032754-93-0

>  <URL> (266)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

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CDK

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Hydrochloride

>  <CAS> (267)
131740-09-5

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

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p38 MAPK

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586379-66-0

>  <URL> (268)
http://www.selleckchem.com/products/ph-797804.html

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1110813-31-4

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>  <Form> (270)
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>  <CAS> (270)
264218-23-7

>  <URL> (270)
http://www.selleckchem.com/products/sb-415286.html

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http://www.selleckchem.com/products/ink128.html

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MK-5108 (VX-689)

>  <Synonyms> (273)
N/A 

>  <Target> (273)
Aurora Kinase

>  <Form> (273)
Free Base

>  <CAS> (273)
1010085-13-8

>  <URL> (273)
http://www.selleckchem.com/products/mk-5108-vx-689.html

$$$$
CP868569.cdx
csChFnd80/08142011062D

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274

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C26H29N5O2

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S2730

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Crenolanib (CP-868596)

>  <Synonyms> (274)
N/A 

>  <Target> (274)
PDGFR

>  <Form> (274)
Free Base

>  <CAS> (274)
670220-88-9

>  <URL> (274)
http://www.selleckchem.com/products/crenolanib-cp-868596.html

$$$$
AG-1478.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (275)
275

>  <Formula> (275)
C16H14ClN3O2

>  <MolWeight> (275)
315.75426

>  <Cat> (275)
S2728

>  <Name> (275)
AG-1478 (Tyrphostin AG-1478)

>  <Synonyms> (275)
Tyrphostin AG-1478

>  <Target> (275)
EGFR

>  <Form> (275)
Free Base

>  <CAS> (275)
153436-53-4

>  <URL> (275)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
PF-04691502.cdx
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>  <Mol_ID> (276)
276

>  <Formula> (276)
C22H27N5O4

>  <MolWeight> (276)
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>  <Cat> (276)
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PF-04691502

>  <Synonyms> (276)
N/A

>  <Target> (276)
mTOR, PI3K, Akt

>  <Form> (276)
Free Base

>  <CAS> (276)
1013101-36-4 

>  <URL> (276)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Benidipine hydrochloride.cdx
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 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (277)
277

>  <Formula> (277)
C28H32ClN3O6

>  <MolWeight> (277)
542.02318

>  <Cat> (277)
S2017

>  <Name> (277)
Benidipine hydrochloride

>  <Synonyms> (277)
N/A

>  <Target> (277)
calcium channel

>  <Form> (277)
Hydrochloride

>  <CAS> (277)
91599-74-5

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

$$$$
Lonidamine.cdx
csChFnd80/08142011062D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (278)
278

>  <Formula> (278)
C15H10Cl2N2O2

>  <MolWeight> (278)
321.1581

>  <Cat> (278)
S2610

>  <Name> (278)
Lonidamine

>  <Synonyms> (278)
N/A

>  <Target> (278)
Others

>  <Form> (278)
Free Base

>  <CAS> (278)
50264-69-2

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

$$$$
CP 673451.cdx
csChFnd80/08142011062D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (279)
279

>  <Formula> (279)
C24H27N5O2

>  <MolWeight> (279)
417.50348

>  <Cat> (279)
S1536

>  <Name> (279)
CP 673451

>  <Synonyms> (279)
CP673451 

>  <Target> (279)
Others

>  <Form> (279)
Free Base

>  <CAS> (279)
343787-29-1

>  <URL> (279)
http://www.selleckchem.com/products/CP-673451.html

$$$$
Acarbose.cdx
csChFnd80/08142011062D

 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (280)
280

>  <Formula> (280)
C25H43NO18

>  <MolWeight> (280)
645.60482

>  <Cat> (280)
S1271

>  <Name> (280)
Acarbose

>  <Synonyms> (280)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (280)
Others

>  <Form> (280)
Free Base

>  <CAS> (280)
56180-94-0

>  <URL> (280)
http://www.selleckchem.com/products/Acarbose.html

$$$$
ALPHACAINE (lidocaine).cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (281)
281

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137-58-6

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PI3K

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845272-21-1

>  <URL> (285)
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N/A

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JAK, EGFR

>  <Form> (291)
Free Base

>  <CAS> (291)
211555-04-3

>  <URL> (291)
http://www.selleckchem.com/products/whi-p154.html

$$$$
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Schisandrin B

>  <Synonyms> (292)
N/A

>  <Target> (292)
Others

>  <Form> (292)
Free Base

>  <CAS> (292)
61281-37-6

>  <URL> (292)
http://www.selleckchem.com/products/schisandrin-b.html

$$$$
IKK-16.cdx
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IKK-16

>  <Synonyms> (293)
N/A

>  <Target> (293)
IKK

>  <Form> (293)
Free Base

>  <CAS> (293)
873225-46-8

>  <URL> (293)
http://www.selleckchem.com/products/ikk-16.html

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N/A

>  <Form> (294)
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>  <CAS> (294)
717907-75-0

>  <URL> (294)
http://www.selleckchem.com/products/pf-562271.html

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S6 Kinase

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501437-28-1

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http://www.selleckchem.com/products/bi-d1870.html

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10537-47-0

>  <URL> (297)
http://www.selleckchem.com/products/tyrphostin-9-sf-6847.html

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ZM 323881 HCl

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VEGFR

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Hydrochloride

>  <CAS> (298)
193000-39-4

>  <URL> (298)
http://www.selleckchem.com/products/zm-323881-hcl.html

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690206-97-4

>  <URL> (299)
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M  END
>  <Mol_ID> (300)
300

>  <Formula> (300)
C17H18N6

>  <MolWeight> (300)
306.36502

>  <Cat> (300)
S2902

>  <Name> (300)
S-Ruxolitinib

>  <Synonyms> (300)
N/A

>  <Target> (300)
JAK

>  <Form> (300)
Free Base

>  <CAS> (300)
941685-37-6

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

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (301)
301

>  <Formula> (301)
C19H21ClFNO3

>  <MolWeight> (301)
365.8263432

>  <Cat> (301)
S3005

>  <Name> (301)
Paroxetine HCl

>  <Synonyms> (301)
N/A

>  <Target> (301)
5-HT Receptor

>  <Form> (301)
Hydrochloride

>  <CAS> (301)
78246-49-8

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

$$$$
PF477736.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (302)
302

>  <Formula> (302)
C22H25N7O2

>  <MolWeight> (302)
419.4796

>  <Cat> (302)
S2904

>  <Name> (302)
PF 477736

>  <Synonyms> (302)
PF-00477736

>  <Target> (302)
Chk

>  <Form> (302)
Free Base

>  <CAS> (302)
952021-60-2

>  <URL> (302)
http://www.selleckchem.com/products/pf-477736.html

$$$$
Go 6983.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (303)
303

>  <Formula> (303)
C26H26N4O3

>  <MolWeight> (303)
442.50964

>  <Cat> (303)
S2911

>  <Name> (303)
Go 6983

>  <Synonyms> (303)
N/A

>  <Target> (303)
PKC

>  <Form> (303)
Free Base

>  <CAS> (303)
133053-19-7

>  <URL> (303)
http://www.selleckchem.com/products/go-6983.html

$$$$
PF 573228.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (308)
308

>  <Formula> (308)
C24H21N3OS

>  <MolWeight> (308)
399.50804

>  <Cat> (308)
S2928

>  <Name> (308)
TAK 715

>  <Synonyms> (308)
N/A 

>  <Target> (308)
p38 MAPK

>  <Form> (308)
Free Base

>  <CAS> (308)
303162-79-0

>  <URL> (308)
http://www.selleckchem.com/products/tak-715.html

$$$$
TDZD-8.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (309)
309

>  <Formula> (309)
C10H10N2O2S

>  <MolWeight> (309)
222.2636

>  <Cat> (309)
S2926

>  <Name> (309)
TDZD-8

>  <Synonyms> (309)
N/A

>  <Target> (309)
GSK-3

>  <Form> (309)
Free Base

>  <CAS> (309)
327036-89-5 

>  <URL> (309)
http://www.selleckchem.com/products/tdzd-8.html

$$$$
Melatonin.cdx
csChFnd80/08142011062D

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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (310)
310

>  <Formula> (310)
C13H16N2O2

>  <MolWeight> (310)
232.27834

>  <Cat> (310)
S1204

>  <Name> (310)
Melatonin

>  <Synonyms> (310)
Melatonex

>  <Target> (310)
MT Receptor

>  <Form> (310)
Free Base

>  <CAS> (310)
73-31-4

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

$$$$
H-89.cdx
csChFnd80/08142011062D

 29 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  6  1  0  0  0  0
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M  END
>  <Mol_ID> (311)
311

>  <Formula> (311)
C20H22BrCl2N3O2S

>  <MolWeight> (311)
519.28258

>  <Cat> (311)
S1582

>  <Name> (311)
H 89 2HCl

>  <Synonyms> (311)
N/A

>  <Target> (311)
S6 Kinase

>  <Form> (311)
Dihydrochloride

>  <CAS> (311)
130964-39-5

>  <URL> (311)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

$$$$
Oxfendazole.cdx
csChFnd80/08142011062D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 14  2  1  0  0  0  0
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M  END
>  <Mol_ID> (312)
312

>  <Formula> (312)
C15H13N3O3S

>  <MolWeight> (312)
315.34702

>  <Cat> (312)
S1830

>  <Name> (312)
Oxfendazole

>  <Synonyms> (312)
N/A

>  <Target> (312)
Antifection

>  <Form> (312)
Free Base

>  <CAS> (312)
53716-50-0

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

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C18H23Cl2NO

>  <MolWeight> (313)
340.28732

>  <Cat> (313)
S2499

>  <Name> (313)
Phenoxybenzamine HCl

>  <Synonyms> (313)
N/A

>  <Target> (313)
Androgen Receptor

>  <Form> (313)
HCl

>  <CAS> (313)
63-92-3

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

$$$$
Pazopanib.cdx
csChFnd80/08142011062D

 31 34  0  0  0  0  0  0  0  0999 V2000
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N/A

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VEGFR

>  <Form> (314)
Free Base

>  <CAS> (314)
444731-52-6

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

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BAY 11-7082 (BAY 11-7821)

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N/A

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I¦ÊB/IKK

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Free Base

>  <CAS> (315)
19542-67-7

>  <URL> (315)
http://www.selleckchem.com/products/bay-11-7082-bay-11-7821.html

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>  <Mol_ID> (316)
316

>  <Formula> (316)
C18H13F3N4O2

>  <MolWeight> (316)
374.3166296

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S2899

>  <Name> (316)
GNF-2

>  <Synonyms> (316)
N/A

>  <Target> (316)
Bcr-Abl

>  <Form> (316)
Free Base

>  <CAS> (316)
778270-11-4

>  <URL> (316)
http://www.selleckchem.com/products/gnf-2.html

$$$$
OSI-906.cdx
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>  <Mol_ID> (317)
317

>  <Formula> (317)
C26H23N5O

>  <MolWeight> (317)
421.49372

>  <Cat> (317)
S1091

>  <Name> (317)
OSI-906 (Linsitinib)

>  <Synonyms> (317)
N/A

>  <Target> (317)
IGF-1R

>  <Form> (317)
Free Base

>  <CAS> (317)
867160-71-2

>  <URL> (317)
http://www.selleckchem.com/products/OSI-906.html

$$$$
aicar.cdx
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>  <Mol_ID> (318)
318

>  <Formula> (318)
C9H14N4O5

>  <MolWeight> (318)
258.23126

>  <Cat> (318)
S1802

>  <Name> (318)
AICAR (Acadesine)

>  <Synonyms> (318)
AICAR, AICA-riboside

>  <Target> (318)
AMPK

>  <Form> (318)
Free Base

>  <CAS> (318)
2627-69-2

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

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (319)
319

>  <Formula> (319)
C32H30FN3O10

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635.5931032

>  <Cat> (319)
S4001

>  <Name> (319)
Cabozantinib malate

>  <Synonyms> (319)
N/A

>  <Target> (319)
VEGFR

>  <Form> (319)
Malate

>  <CAS> (319)
1140909-48-3

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

$$$$
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>  <Mol_ID> (320)
320

>  <Formula> (320)
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>  <MolWeight> (320)
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>  <Cat> (320)
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>  <Name> (320)
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>  <Synonyms> (320)
PF-04708671

>  <Target> (320)
S6 Kinase

>  <Form> (320)
Free Base

>  <CAS> (320)
1255517-76-0

>  <URL> (320)
http://www.selleckchem.com/products/pf-4708671.html

$$$$
SL327.cdx
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>  <Mol_ID> (321)
321

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>  <MolWeight> (321)
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>  <Synonyms> (321)
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>  <Target> (321)
MEK

>  <Form> (321)
Free Base

>  <CAS> (321)
305350-87-2

>  <URL> (321)
http://www.selleckchem.com/products/SL327.html

$$$$
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1485-00-3

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    7.6991    6.8437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2952    6.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5877    5.6520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7836    5.4535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3532    4.2016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5468    3.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1044    1.7863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5983    6.5942    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
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 10 11  2  0  0  0  0
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 16  9  1  0  0  0  0
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M  END
>  <Mol_ID> (327)
327

>  <Formula> (327)
C13H16N6O4

>  <MolWeight> (327)
320.30394

>  <Cat> (327)
S1117

>  <Name> (327)
Triciribine

>  <Synonyms> (327)
N/A

>  <Target> (327)
Akt

>  <Form> (327)
Free Base

>  <CAS> (327)
35943-35-2

>  <URL> (327)
http://www.selleckchem.com/products/Triciribine.html

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/08142011062D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    8.4871    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
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  1 13  1  0  0  0  0
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 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
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 18 21  1  0  0  0  0
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M  END
>  <Mol_ID> (328)
328

>  <Formula> (328)
C15H12O7

>  <MolWeight> (328)
304.25158

>  <Cat> (328)
S2366

>  <Name> (328)
Taxifolin (Dihydroquercetin)

>  <Synonyms> (328)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (328)
VEGFR

>  <Form> (328)
Free Base

>  <CAS> (328)
480-18-2

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

$$$$
Flufenamic acid.cdx
csChFnd80/08142011062D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    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
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   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
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 10 11  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (329)
329

>  <Formula> (329)
C14H10F3NO2

>  <MolWeight> (329)
281.2299096

>  <Cat> (329)
S4268

>  <Name> (329)
Flufenamic acid

>  <Synonyms> (329)
N/A

>  <Target> (329)
COX

>  <Form> (329)
Free Base

>  <CAS> (329)
530-78-9

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

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/08142011062D

 31 33  0  0  0  0  0  0  0  0999 V2000
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 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
   12.1244    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
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  1 11  1  0  0  0  0
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 10 20  2  0  0  0  0
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 23 24  2  0  0  0  0
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 30 15  1  0  0  0  0
 17 31  1  1  0  0  0
M  END
>  <Mol_ID> (330)
330

>  <Formula> (330)
C19H20F3IN2O5S

>  <MolWeight> (330)
572.3371796

>  <Cat> (330)
S1089

>  <Name> (330)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (330)
BAY 869766

>  <Target> (330)
MEK

>  <Form> (330)
Free Base

>  <CAS> (330)
923032-37-5

>  <URL> (330)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
Dicoumarol.cdx
csChFnd80/08142011062D

 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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M  END
>  <Mol_ID> (331)
331

>  <Formula> (331)
C19H12O6

>  <MolWeight> (331)
336.29498

>  <Cat> (331)
S4299

>  <Name> (331)
Dicoumarol

>  <Synonyms> (331)
Dicumarol

>  <Target> (331)
Others

>  <Form> (331)
Free Base

>  <CAS> (331)
66-76-2

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

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/08142011062D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (332)
332

>  <Formula> (332)
C24H25ClFN5O3

>  <MolWeight> (332)
485.9384032

>  <Cat> (332)
S1011

>  <Name> (332)
Afatinib (BIBW2992)

>  <Synonyms> (332)
N/A

>  <Target> (332)
EGFR

>  <Form> (332)
Free Base

>  <CAS> (332)
439081-18-2

>  <URL> (332)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (333)
333

>  <Formula> (333)
C44H69NO12

>  <MolWeight> (333)
804.01816

>  <Cat> (333)
S5003

>  <Name> (333)
Tacrolimus (FK506)

>  <Synonyms> (333)
FR900506

>  <Target> (333)
mTOR

>  <Form> (333)
Free Base

>  <CAS> (333)
104987-11-3

>  <URL> (333)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
R-Ruxolitinib.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (334)
334

>  <Formula> (334)
C17H18N6

>  <MolWeight> (334)
306.36502

>  <Cat> (334)
S1378

>  <Name> (334)
Ruxolitinib (INCB018424)

>  <Synonyms> (334)
N/A

>  <Target> (334)
JAK

>  <Form> (334)
Free Base

>  <CAS> (334)
941678-49-5

>  <URL> (334)
http://www.selleckchem.com/products/INCB18424.html

$$$$
Temsirolimus.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (335)
335

>  <Formula> (335)
C56H87NO16

>  <MolWeight> (335)
1030.28708

>  <Cat> (335)
S1044

>  <Name> (335)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (335)
N/A

>  <Target> (335)
mTOR

>  <Form> (335)
Free Base

>  <CAS> (335)
162635-04-3

>  <URL> (335)
http://www.selleckchem.com/products/Temsirolimus.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (336)
336

>  <Formula> (336)
C25H31N7O6

>  <MolWeight> (336)
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>  <Cat> (336)
S2018

>  <Name> (336)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (336)
N/A

>  <Target> (336)
FLT3

>  <Form> (336)
Free Base

>  <CAS> (336)
1291074-87-7

>  <URL> (336)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
PF-2341066.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (337)
337

>  <Formula> (337)
C21H22Cl2FN5O

>  <MolWeight> (337)
450.3366832

>  <Cat> (337)
S1068

>  <Name> (337)
Crizotinib (PF-02341066)

>  <Synonyms> (337)
N/A 

>  <Target> (337)
c-Met, ALK

>  <Form> (337)
Free Base

>  <CAS> (337)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (337)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
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csChFnd80/08142011062D

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C27H27FN8O3

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AC480 (BMS-599626)

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N/A

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HER2

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Free Base

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714971-09-2

>  <URL> (338)
http://www.selleckchem.com/products/BMS-599626.html

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339

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C22H18Cl2N8

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S1263

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CHIR-99021 (CT99021)

>  <Synonyms> (339)
N/A

>  <Target> (339)
GSK-3

>  <Form> (339)
Free Base

>  <CAS> (339)
252917-06-9

>  <URL> (339)
http://www.selleckchem.com/products/CHIR-99021.html

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (340)
340

>  <Formula> (340)
C21H20ClNO5

>  <MolWeight> (340)
401.8402

>  <Cat> (340)
S1230

>  <Name> (340)
Flavopiridol (Alvocidib)

>  <Synonyms> (340)
NSC 649890 HCl,HMR-1275

>  <Target> (340)
CDK

>  <Form> (340)
Free Base

>  <CAS> (340)
146426-40-6

>  <URL> (340)
http://www.selleckchem.com/products/Flavopiridol.html

$$$$

csChFnd80/08142011062D

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>  <Mol_ID> (341)
341

>  <Formula> (341)
C6H13Li3O11

>  <MolWeight> (341)
281.98382

>  <Cat> (341)
S4519

>  <Name> (341)
Citric acid trilithium salt tetrahydrate

>  <Synonyms> (341)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (341)
Others

>  <Form> (341)
Free Base

>  <CAS> (341)
6080-58-6

>  <URL> (341)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

$$$$
Danthron.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (342)
342

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C14H8O4

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S4561

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Danthron

>  <Synonyms> (342)
chrysazin, Antrapurol

>  <Target> (342)
Others

>  <Form> (342)
Free Base

>  <CAS> (342)
117-10-2

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

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/08142011062D

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    0.0000    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.9705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3999    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (343)
343

>  <Formula> (343)
C14H23ClN2O

>  <MolWeight> (343)
270.79822

>  <Cat> (343)
S4667

>  <Name> (343)
Lidocaine hydrochloride

>  <Synonyms> (343)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (343)
Others

>  <Form> (343)
hydrochloride

>  <CAS> (343)
73-78-9

>  <URL> (343)
http://www.selleckchem.com/products/lidocaine-hydrochloride.html

$$$$
S4711 Esculetin.cdx
csChFnd80/08142011062D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (344)
344

>  <Formula> (344)
C9H6O4

>  <MolWeight> (344)
178.14154

>  <Cat> (344)
S4711

>  <Name> (344)
Esculetin

>  <Synonyms> (344)
Cichorigenin|Aesculetin

>  <Target> (344)
Others

>  <Form> (344)
Free Base

>  <CAS> (344)
305-01-1

>  <URL> (344)
http://www.selleckchem.com/products/esculetin.html

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/08142011062D

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    1.4000    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
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  5  9  1  1  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (345)
345

>  <Formula> (345)
C6H12O5

>  <MolWeight> (345)
164.15648

>  <Cat> (345)
S4701

>  <Name> (345)
2-Deoxy-D-glucose

>  <Synonyms> (345)
2-deoxyglucose, NSC 15193

>  <Target> (345)
Others

>  <Form> (345)
Free Base

>  <CAS> (345)
154-17-6

>  <URL> (345)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/08142011062D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   12.1159    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 10 15  1  0  0  0  0
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 25 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
>  <Mol_ID> (346)
346

>  <Formula> (346)
C21H26ClN3OS

>  <MolWeight> (346)
403.96864

>  <Cat> (346)
S4731

>  <Name> (346)
Perphenazine

>  <Synonyms> (346)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (346)
Dopamine Receptor

>  <Form> (346)
Free Base

>  <CAS> (346)
58-39-9

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

$$$$

csChFnd80/08142011062D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.2532    2.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8284    3.5853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  5 25  1  0  0  0  0
  3 26  1  0  0  0  0
M  END
>  <Mol_ID> (347)
347

>  <Formula> (347)
C20H30N4O2

>  <MolWeight> (347)
358.4778

>  <Cat> (347)
S1024

>  <Name> (347)
LTI-291

>  <Synonyms> (347)
N/A

>  <Target> (347)
Others

>  <Form> (347)
Free Base

>  <CAS> (347)
1919820-28-2

>  <URL> (347)
http://www.selleck.cn/products/lti-291.html

$$$$
S4736 Trapidil.cdx
csChFnd80/08142011062D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C10H15N5

>  <MolWeight> (348)
205.2596

>  <Cat> (348)
S4736

>  <Name> (348)
Trapidil

>  <Synonyms> (348)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (348)
PDGFR

>  <Form> (348)
Free Base

>  <CAS> (348)
15421-84-8

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

$$$$
S4743 Wogonin.cdx
csChFnd80/08142011062D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6326    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (349)
349

>  <Formula> (349)
C16H12O5

>  <MolWeight> (349)
284.26348

>  <Cat> (349)
S4743

>  <Name> (349)
Wogonin

>  <Synonyms> (349)
Vogonin

>  <Target> (349)
CDK

>  <Form> (349)
Free Base

>  <CAS> (349)
632-85-9

>  <URL> (349)
http://www.selleckchem.com/products/wogonin.html

$$$$
NS-187.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (350)
350

>  <Formula> (350)
C30H31F3N8O

>  <MolWeight> (350)
576.6153496

>  <Cat> (350)
S1369

>  <Name> (350)
Bafetinib (INNO-406)

>  <Synonyms> (350)
NS-187

>  <Target> (350)
Abl,Lyn

>  <Form> (350)
Free Base

>  <CAS> (350)
859212-16-1

>  <URL> (350)
http://www.selleckchem.com/products/Bafetinib.html

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/08142011062D

 47 51  0  0  0  0  0  0  0  0999 V2000
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    0.0000   26.6837    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (351)
351

>  <Formula> (351)
C37H42Cl2N2O6

>  <MolWeight> (351)
681.64518

>  <Cat> (351)
S3609

>  <Name> (351)
Berbamine (dihydrochloride)

>  <Synonyms> (351)
N/A

>  <Target> (351)
NF-¦ÊB,bcr/abl

>  <Form> (351)
dihydrochloride

>  <CAS> (351)
6078-17-7

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

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/08142011062D

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 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (352)
352

>  <Formula> (352)
C18H16O8

>  <MolWeight> (352)
360.31484

>  <Cat> (352)
S3612

>  <Name> (352)
Rosmarinic acid

>  <Synonyms> (352)
Rosemary acid

>  <Target> (352)
IKK ¦Â

>  <Form> (352)
free base

>  <CAS> (352)
20283-92-5

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

$$$$
S3606 Fangchinoline.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (353)
353

>  <Formula> (353)
C37H40N2O6

>  <MolWeight> (353)
608.7233

>  <Cat> (353)
S3606

>  <Name> (353)
Fangchinoline

>  <Synonyms> (353)
N/A

>  <Target> (353)
HIV-1

>  <Form> (353)
free base

>  <CAS> (353)
33889-68-8

>  <URL> (353)
http://www.selleckchem.com/products/fangchinoline.html

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/08142011062D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4248    2.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    3.5111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    1.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2319    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6177    4.2223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (354)
354

>  <Formula> (354)
C4H7NO2

>  <MolWeight> (354)
101.10388

>  <Cat> (354)
S3699

>  <Name> (354)
2,3-Butanedione-2-monoxime

>  <Synonyms> (354)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (354)
skeletal muscle myosin-II

>  <Form> (354)
free base

>  <CAS> (354)
57-71-6

>  <URL> (354)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/08142011062D

 70 77  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C48H78O19

>  <MolWeight> (355)
959.12152

>  <Cat> (355)
S3616

>  <Name> (355)
Asiaticoside

>  <Synonyms> (355)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (355)
Others

>  <Form> (355)
free base

>  <CAS> (355)
16830-15-2

>  <URL> (355)
http://www.selleckchem.com/products/asiaticoside.html

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/08142011062D

 47 53  0  0  0  0  0  0  0  0999 V2000
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    3.6373    9.1000    0.0000 C   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
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622   11.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 N   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
   12.1244    8.4000    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
   10.9119    4.9000    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
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    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
    9.6995    4.2000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.7249    7.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 O   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
    9.6995    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  9 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 14 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 15  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
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 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 36  1  0  0  0  0
 10 42  1  0  0  0  0
 42 39  1  0  0  0  0
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 32 44  1  0  0  0  0
 44 45  1  0  0  0  0
 23 46  1  6  0  0  0
 18 47  1  0  0  0  0
M  END
>  <Mol_ID> (356)
356

>  <Formula> (356)
C37H40N2O6

>  <MolWeight> (356)
608.7233

>  <Cat> (356)
S3611

>  <Name> (356)
(+)-Fangchinoline

>  <Synonyms> (356)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (356)
Others

>  <Form> (356)
free base

>  <CAS> (356)
436-77-1

>  <URL> (356)
http://www.selleckchem.com/products/s-s-fangchinoline.html

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/08142011062D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.7509    2.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858    3.5533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5841    3.5548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0184    2.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8868    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    6.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3705    5.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160    4.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    4.6475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4441    4.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1553    6.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682    6.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3505    1.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533    7.3991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103    3.4351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 13  1  0  0  0  0
  9 13  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  5 14  2  0  0  0  0
  8 15  2  0  0  0  0
 12 16  2  0  0  0  0
  4 17  2  0  0  0  0
 13 18  1  6  0  0  0
  9 19  1  6  0  0  0
M  END
>  <Mol_ID> (357)
357

>  <Formula> (357)
C15H18O2

>  <MolWeight> (357)
230.30222

>  <Cat> (357)
S3615

>  <Name> (357)
Dehydrocostus Lactone

>  <Synonyms> (357)
N/A

>  <Target> (357)
 IKK¦Â

>  <Form> (357)
free base

>  <CAS> (357)
477-43-0

>  <URL> (357)
http://www.selleckchem.com/products/dehydrocostus-lactone.html

$$$$
S3626 Sesamol.cdx
csChFnd80/08142011062D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6251    0.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    2.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9535    0.2497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4273    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9693    2.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7843    1.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (358)
358

>  <Formula> (358)
C7H6O3

>  <MolWeight> (358)
138.12074

>  <Cat> (358)
S3626

>  <Name> (358)
Sesamol

>  <Synonyms> (358)
1,3-Benzodioxol-5-ol, 3,4-Methylenedioxyphenol

>  <Target> (358)
Others

>  <Form> (358)
free base

>  <CAS> (358)
533-31-3

>  <URL> (358)
http://www.selleckchem.com/products/sesamol.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/08142011062D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (359)
359

>  <Formula> (359)
C11H8O3

>  <MolWeight> (359)
188.17942

>  <Cat> (359)
S3661

>  <Name> (359)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (359)
N/A

>  <Target> (359)
PKC

>  <Form> (359)
free base

>  <CAS> (359)
2348-82-5

>  <URL> (359)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3648 Amlexanox.cdx
csChFnd80/08142011062D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2876    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2876    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4987    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0814    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4987    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    4.2126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7418    2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7423    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9513    2.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9518    0.0044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4160    2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1578    2.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9513    4.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    2.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    4.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
  9 13  1  0  0  0  0
  9 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (360)
360

>  <Formula> (360)
C16H14N2O4

>  <MolWeight> (360)
298.29336

>  <Cat> (360)
S3648

>  <Name> (360)
Amlexanox

>  <Synonyms> (360)
AA-673, CHX-3673

>  <Target> (360)
TBK1,IKK-¦Å

>  <Form> (360)
free base

>  <CAS> (360)
68302-57-8

>  <URL> (360)
http://www.selleckchem.com/products/amlexanox.html

$$$$
S3939 4'-Methoxyresveratrol.cdx
csChFnd80/08142011062D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.2831    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (361)
361

>  <Formula> (361)
C15H14O3

>  <MolWeight> (361)
242.26986

>  <Cat> (361)
S3939

>  <Name> (361)
4'-Methoxyresveratrol

>  <Synonyms> (361)
N/A

>  <Target> (361)
Others

>  <Form> (361)
free base

>  <CAS> (361)
33626-08-3

>  <URL> (361)
http://www.selleckchem.com/products/4-methoxyresveratrol.html

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/08142011062D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1100    3.6488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5066    3.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900    1.2240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3900    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7  9  1  0  0  0  0
  9 11  1  6  0  0  0
M  END
>  <Mol_ID> (362)
362

>  <Formula> (362)
C6H13NO4

>  <MolWeight> (362)
163.17172

>  <Cat> (362)
S3839

>  <Name> (362)
1-Deoxynojirimycin

>  <Synonyms> (362)
duvoglustat, moranolin

>  <Target> (362)
¦Á-glucosidase

>  <Form> (362)
free base

>  <CAS> (362)
19130-96-2

>  <URL> (362)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/08142011062D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.2770    2.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8858    3.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9751    4.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1192    1.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8043    4.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433    5.0390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3108    4.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5318    1.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6181    5.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    3.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    3.0422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917    5.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    4.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    5.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7130    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (363)
363

>  <Formula> (363)
C13H13ClN2O

>  <MolWeight> (363)
248.70812

>  <Cat> (363)
S3817

>  <Name> (363)
Harmine hydrochloride

>  <Synonyms> (363)
telepathine hydrochloride

>  <Target> (363)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (363)
hydrochloride

>  <CAS> (363)
343-27-1

>  <URL> (363)
http://www.selleckchem.com/products/harmine-hydrochloride.html

$$$$
S3824 Quercitrin.cdx
csChFnd80/08142011062D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    6.9967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4927    8.3967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    6.2935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7070    9.0935    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2821    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9138    6.9902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9175    8.3902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7107   10.4935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1318    9.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
 12  6  1  1  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  6  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  6  0  0  0
 26 31  1  6  0  0  0
 26 29  1  0  0  0  0
 29 32  1  1  0  0  0
M  END
>  <Mol_ID> (364)
364

>  <Formula> (364)
C21H20O11

>  <MolWeight> (364)
448.3769

>  <Cat> (364)
S3824

>  <Name> (364)
Quercitrin

>  <Synonyms> (364)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (364)
Others

>  <Form> (364)
free base

>  <CAS> (364)
522-12-3

>  <URL> (364)
http://www.selleckchem.com/products/quercitrin.html

$$$$
S3836 6-Gingerol.cdx
csChFnd80/08142011062D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.8540    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4914    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    4.8939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9162    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1287    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3411    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5535    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7660    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    2.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    2.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    4.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    4.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
  1 12  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (365)
365

>  <Formula> (365)
C17H26O4

>  <MolWeight> (365)
294.38594

>  <Cat> (365)
S3836

>  <Name> (365)
6-Gingerol

>  <Synonyms> (365)
CI-1011

>  <Target> (365)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (365)
free base

>  <CAS> (365)
23513-14-6

>  <URL> (365)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/08142011062D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0606    5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2155    4.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    3.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6155    4.5793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3918    5.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    5.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    3.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6358    5.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3935    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    1.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    1.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0155    4.5803    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    1.2119    3.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010    1.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3149    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1147    0.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  2  5  2  0  0  0  0
  4  2  1  0  0  0  0
  2  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  4  2  0  0  0  0
 18  4  2  0  0  0  0
 21  5  1  0  0  0  0
  8  6  1  0  0  0  0
 19  6  2  0  0  0  0
  7  8  1  0  0  0  0
 11  7  1  0  0  0  0
  7 10  2  0  0  0  0
 20  8  2  0  0  0  0
 13 10  1  0  0  0  0
 12 11  2  0  0  0  0
 22 11  1  0  0  0  0
 15 12  1  0  0  0  0
 12 14  1  0  0  0  0
 14 13  2  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  0  0  0  0
 15 23  1  0  0  0  0
 24 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (366)
366

>  <Formula> (366)
C19H17NaO6S

>  <MolWeight> (366)
396.38945

>  <Cat> (366)
S3766

>  <Name> (366)
Tanshinone IIA sulfonate (sodium)

>  <Synonyms> (366)
N/A

>  <Target> (366)
CYP3A4

>  <Form> (366)
sodium salt

>  <CAS> (366)
69659-80-9

>  <URL> (366)
http://www.selleckchem.com/products/tanshinone-iia-sulfonate-sodium.html

$$$$
S3759 Norcantharidin.cdx
csChFnd80/08142011062D

 12 14  0  0  0  0  0  0  0  0999 V2000
    0.2182    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    1.4028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5609    1.7635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5640    3.1635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2213    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.8028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.5026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7168    2.4587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444    3.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4040    4.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (367)
367

>  <Formula> (367)
C8H8O4

>  <MolWeight> (367)
168.14672

>  <Cat> (367)
S3759

>  <Name> (367)
Norcantharidin

>  <Synonyms> (367)
Endothall anhydride

>  <Target> (367)
c-Met,EGFR

>  <Form> (367)
free base

>  <CAS> (367)
29745-04-8

>  <URL> (367)
http://www.selleckchem.com/products/norcantharidin.html

$$$$
S3783 Echinacoside.cdx
csChFnd80/08142011062D

 55 59  0  0  0  0  0  0  0  0999 V2000
    9.7655    7.3069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4955    6.1066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4383    8.5218    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3657    7.3085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8638    6.1068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7941    4.8950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8689    8.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7397    9.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6719    8.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5767    7.3146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5623    4.8935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4391   10.9431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9767    7.3129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9113    3.6527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6781    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4788    1.2519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4070    2.4328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6101    2.4449    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3857   13.3537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1686    9.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0781    8.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9140    1.2133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7774    0.0403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0101    2.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6632   14.5702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6199   13.3015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6351   10.9153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4783    8.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4904   10.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7795    9.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2790   14.5334    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3646   15.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2201   13.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    8.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0639   10.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1807    9.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1055   10.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5804   15.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6617   17.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3634    7.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8912   10.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7824   12.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1782   12.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2912   10.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
 12  6  1  6  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  1  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 19 13  1  1  0  0  0
 14 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  1  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 22 30  1  1  0  0  0
 24 31  1  1  0  0  0
 24 29  1  0  0  0  0
 25 32  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  6  0  0  0
 27 35  1  0  0  0  0
 27 36  2  0  0  0  0
 28 37  1  0  0  0  0
 29 38  1  6  0  0  0
 32 39  1  0  0  0  0
 32 40  1  1  0  0  0
 33 41  1  1  0  0  0
 33 39  1  0  0  0  0
 35 42  2  0  0  0  0
 36 43  1  0  0  0  0
 37 44  2  0  0  0  0
 37 45  1  0  0  0  0
 39 46  1  6  0  0  0
 40 47  1  0  0  0  0
 42 48  1  0  0  0  0
 42 49  1  0  0  0  0
 43 48  2  0  0  0  0
 44 50  1  0  0  0  0
 45 51  2  0  0  0  0
 48 52  1  0  0  0  0
 50 53  2  0  0  0  0
 50 54  1  0  0  0  0
 51 53  1  0  0  0  0
 53 55  1  0  0  0  0
M  END
>  <Mol_ID> (368)
368

>  <Formula> (368)
C35H46O20

>  <MolWeight> (368)
786.72774

>  <Cat> (368)
S3783

>  <Name> (368)
Echinacoside

>  <Synonyms> (368)
N/A

>  <Target> (368)
Others

>  <Form> (368)
free base

>  <CAS> (368)
82854-37-3

>  <URL> (368)
http://www.selleckchem.com/products/echinacoside.html

$$$$
S3784 Obacunone.cdx
csChFnd80/08142011062D

 35 40  0  0  0  0  0  0  0  0999 V2000
    8.1413    4.1628    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9215    3.4726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3566    3.4726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1413    5.5723    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1413    2.7532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.9215    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1413    6.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    3.4920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7113    5.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7113    1.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1851    1.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5716    5.5481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8305    3.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4960    2.0824    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4073    4.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5085    8.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4073    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0415    4.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  5  1  1  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  6  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 30  1  6  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  6  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
  2 31  1  1  0  0  0
 12 32  1  1  0  0  0
 19 33  1  6  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  END
>  <Mol_ID> (369)
369

>  <Formula> (369)
C26H30O7

>  <MolWeight> (369)
454.5122

>  <Cat> (369)
S3784

>  <Name> (369)
Obacunone

>  <Synonyms> (369)
N/A

>  <Target> (369)
Nrf2,Aromatase

>  <Form> (369)
free base

>  <CAS> (369)
751-03-1

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

$$$$
S3786 Glabridin.cdx
csChFnd80/08142011062D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.8248    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347    3.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6150    3.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2747    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347    4.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347    0.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6150    0.6478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4896    3.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2747    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2747    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4896    4.8474    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6995    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9144    4.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6995    6.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1241    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
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 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (370)
370

>  <Formula> (370)
C20H20O4

>  <MolWeight> (370)
324.3704

>  <Cat> (370)
S3786

>  <Name> (370)
Glabridin

>  <Synonyms> (370)
Q-100692, KB-289522, LS-176045

>  <Target> (370)
PPAR¦Ã,¦Á1¦Â2¦Ã2,¦Á1¦Â3¦Ã2,¦Á1¦Â2,¦Á1¦Â1¦Ã2

>  <Form> (370)
free base

>  <CAS> (370)
59870-68-7

>  <URL> (370)
http://www.selleckchem.com/products/glabridin.html

$$$$
S3918 4',7-Dimethoxy-5-Hydroxyflavone.cdx
csChFnd80/08142011062D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  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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 11 13  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (371)
371

>  <Formula> (371)
C17H14O5

>  <MolWeight> (371)
298.29006

>  <Cat> (371)
S3918

>  <Name> (371)
4',7-Dimethoxy-5-Hydroxyflavone

>  <Synonyms> (371)
apigenin dimethylether; apigenin 7,4'-dimethyl ether; genkwanin 4'-methyl ether

>  <Target> (371)
Others

>  <Form> (371)
free base

>  <CAS> (371)
5128-44-9

>  <URL> (371)
http://www.selleckchem.com/products/4-7-dimethoxy-5-hydroxyflavone.html

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/08142011062D

 72 78  0  0  0  0  0  0  0  0999 V2000
    6.0656    3.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 49 57  1  6  0  0  0
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 40 46  1  0  0  0  0
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 34 40  1  0  0  0  0
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 35 64  1  1  0  0  0
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M  END
>  <Mol_ID> (372)
372

>  <Formula> (372)
C48H82O18

>  <MolWeight> (372)
947.15388

>  <Cat> (372)
S3811

>  <Name> (372)
Ginsenoside Re

>  <Synonyms> (372)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (372)
Others

>  <Form> (372)
free base

>  <CAS> (372)
52286-59-6

>  <URL> (372)
http://www.selleckchem.com/products/ginsenoside-re.html

$$$$
S3881 Scopoletin.cdx
csChFnd80/08142011062D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.8567    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8554    0.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    2.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C10H8O4

>  <MolWeight> (373)
192.16812

>  <Cat> (373)
S3881

>  <Name> (373)
Scopoletin

>  <Synonyms> (373)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (373)
Immunology & Inflammation related

>  <Form> (373)
free base

>  <CAS> (373)
92-61-5

>  <URL> (373)
http://www.selleckchem.com/products/scopoletin.html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/08142011062D

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    3.6317    7.0470    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.9079   12.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7459   13.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2364   10.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2474    2.0903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4215    4.2517    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4161    6.3429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6298    8.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9085   13.8162    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5399   14.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4317    2.8980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2474    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6339    4.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4161    4.9429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0266   14.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6441    2.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0507    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4319    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    6.3378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1841   15.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1448   15.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8692   13.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9732    7.6164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  4  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 55  1  1  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 56  1  6  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  6  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 17  1  6  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 18  1  0  0  0  0
 14 21  1  0  0  0  0
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 15 23  1  0  0  0  0
 24 17  1  1  0  0  0
 18 25  1  1  0  0  0
 21 26  1  0  0  0  0
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 23 27  1  1  0  0  0
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 30 25  1  1  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  6  0  0  0
 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
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 31 38  1  0  0  0  0
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 34 40  1  0  0  0  0
 34 41  1  1  0  0  0
 35 42  1  1  0  0  0
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 36 43  1  0  0  0  0
 36 44  1  6  0  0  0
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 38 46  1  1  0  0  0
 38 39  1  0  0  0  0
 40 47  1  6  0  0  0
 41 48  1  0  0  0  0
 43 49  1  0  0  0  0
 43 50  1  1  0  0  0
 45 49  1  0  0  0  0
 46 51  1  0  0  0  0
 46 52  1  0  0  0  0
 46 53  1  0  0  0  0
 49 54  1  6  0  0  0
 29 58  1  6  0  0  0
M  END
>  <Mol_ID> (374)
374

>  <Formula> (374)
C41H68O14

>  <MolWeight> (374)
784.97022

>  <Cat> (374)
S3901

>  <Name> (374)
Astragaloside IV

>  <Synonyms> (374)
AST-IV, AS-IV

>  <Target> (374)
Others

>  <Form> (374)
free base

>  <CAS> (374)
84687-43-4

>  <URL> (374)
http://www.selleckchem.com/products/sastragaloside-iv.html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/08142011062D

 32 37  0  0  0  0  0  0  0  0999 V2000
    6.0576    3.5342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2155    4.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    3.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168    5.6360    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6325    4.9289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6263    3.5288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8359    2.8234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0574    4.9185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2654    5.6136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    4.8968    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4490    3.5006    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8595    3.4670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8789    4.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    5.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    2.1356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
 16 17  1  0  0  0  0
 16 27  1  6  0  0  0
 17 29  1  6  0  0  0
 18 19  1  0  0  0  0
 18 28  2  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (375)
375

>  <Formula> (375)
C20H24O11

>  <MolWeight> (375)
440.39796

>  <Cat> (375)
S3781

>  <Name> (375)
Ginkgolide C

>  <Synonyms> (375)
BN-52022

>  <Target> (375)
Others

>  <Form> (375)
free base

>  <CAS> (375)
15291-76-6

>  <URL> (375)
http://www.selleckchem.com/products/ginkgolide-c.html

$$$$
S3799 Gentisic acid.cdx
csChFnd80/08142011062D

 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> (376)
376

>  <Formula> (376)
C7H6O4

>  <MolWeight> (376)
154.12014

>  <Cat> (376)
S3799

>  <Name> (376)
Gentisic acid

>  <Synonyms> (376)
 DHB; 2,5-dihydroxybenzoic acid; 5-Hydroxysalicylic acid; Gentianic acid; Carboxyhydroquinone

>  <Target> (376)
Immunology & Inflammation related

>  <Form> (376)
free base

>  <CAS> (376)
490-79-9

>  <URL> (376)
http://www.selleckchem.com/products/gentisic-acid.html

$$$$
S3926 Forsythin.cdx
csChFnd80/08142011062D

 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
    1.2118    7.5942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8475    9.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6220    2.8036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6209    4.2036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8350    2.1046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8328    4.9046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0470    2.8055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8362    0.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0459    4.2055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8317    6.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2600    2.1065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2578    4.9065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0436    7.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2173    3.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4047    6.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   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> (377)
377

>  <Formula> (377)
C27H34O11

>  <MolWeight> (377)
534.55226

>  <Cat> (377)
S3926

>  <Name> (377)
Forsythin

>  <Synonyms> (377)
Phillyrin

>  <Target> (377)
Others

>  <Form> (377)
free base

>  <CAS> (377)
487-41-2

>  <URL> (377)
http://www.selleckchem.com/products/forsythin.html

$$$$
LY2109761.cdx
csChFnd80/08142011062D

 33 38  0  0  0  0  0  0  0  0999 V2000
    4.1777    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1777    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6026    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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378

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C26H27N5O2

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N/A

>  <Target> (378)
TGF-beta/Smad

>  <Form> (378)
Free Base

>  <CAS> (378)
700874-71-1 

>  <URL> (378)
http://www.selleckchem.com/products/ly2109761.html

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>  <Formula> (379)
C23H17FN6O

>  <MolWeight> (379)
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>  <Cat> (379)
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>  <Name> (379)
Capmatinib (INCB28060)

>  <Synonyms> (379)
N/A

>  <Target> (379)
c-Met 

>  <Form> (379)
Free Base

>  <CAS> (379)
1029712-80-8

>  <URL> (379)
http://www.selleckchem.com/products/incb28060.html

$$$$
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csChFnd80/08142011062D

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>  <Mol_ID> (380)
380

>  <Formula> (380)
C17H12N4

>  <MolWeight> (380)
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>  <Cat> (380)
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>  <Name> (380)
LY364947

>  <Synonyms> (380)
N/A

>  <Target> (380)
TGF-beta/Smad

>  <Form> (380)
Free Base

>  <CAS> (380)
396129-53-6

>  <URL> (380)
http://www.selleckchem.com/products/ly364947.html

$$$$
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>  <Mol_ID> (381)
381

>  <Formula> (381)
C35H28F3N5O2

>  <MolWeight> (381)
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>  <Cat> (381)
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>  <Name> (381)
Torin 1

>  <Synonyms> (381)
N/A 

>  <Target> (381)
mTOR

>  <Form> (381)
Free Base

>  <CAS> (381)
1222998-36-8

>  <URL> (381)
http://www.selleckchem.com/products/torin-1.html

$$$$
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>  <Mol_ID> (391)
391

>  <Formula> (391)
C28H36ClN5O3S

>  <MolWeight> (391)
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>  <Cat> (391)
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>  <Name> (391)
Ceritinib (LDK378)

>  <Synonyms> (391)
N/A

>  <Target> (391)
ALK

>  <Form> (391)
Free Base

>  <CAS> (391)
1032900-25-6

>  <URL> (391)
http://www.selleckchem.com/products/ldk378.html

$$$$
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>  <Mol_ID> (392)
392

>  <Formula> (392)
C28H36F2N8O3S

>  <MolWeight> (392)
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>  <Cat> (392)
S7158

>  <Name> (392)
abemaciclib (LY2835219)

>  <Synonyms> (392)
N/A

>  <Target> (392)
CDK

>  <Form> (392)
Mesylate

>  <CAS> (392)
1231930-82-7

>  <URL> (392)
http://www.selleckchem.com/products/ly2835219.html

$$$$
NU6027.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (393)
393

>  <Formula> (393)
C11H17N5O2

>  <MolWeight> (393)
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>  <Cat> (393)
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NU6027

>  <Synonyms> (393)
N/A

>  <Target> (393)
CDK

>  <Form> (393)
Free Base

>  <CAS> (393)
220036-08-8

>  <URL> (393)
http://www.selleckchem.com/products/nu6027.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (394)
394

>  <Formula> (394)
C18H32ClN3O8P2

>  <MolWeight> (394)
515.862502

>  <Cat> (394)
S4157

>  <Name> (394)
Chloroquine Phosphate

>  <Synonyms> (394)
N/A

>  <Target> (394)
Others

>  <Form> (394)
Diphosphate

>  <CAS> (394)
50-63-5

>  <URL> (394)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
CNX-2006.cdx
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GZD824 Dimesylate 

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N/A

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Bcr-Abl

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1421783-64-3

>  <URL> (396)
http://www.selleckchem.com/products/gzd824.html

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ALK

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Free Base

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1356962-20-3

>  <URL> (398)
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M  END
>  <Mol_ID> (399)
399

>  <Formula> (399)
C54H92O23

>  <MolWeight> (399)
1109.29448

>  <Cat> (399)
S3924

>  <Name> (399)
Ginsenoside Rb1

>  <Synonyms> (399)
Gypenoside ¢ó

>  <Target> (399)
Others

>  <Form> (399)
free base

>  <CAS> (399)
41753-43-9

>  <URL> (399)
http://www.selleckchem.com/products/ginsenoside-rb1.html

$$$$
S3868 Harmine.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (400)
400

>  <Formula> (400)
C13H12N2O

>  <MolWeight> (400)
212.24718

>  <Cat> (400)
S3868

>  <Name> (400)
Harmine

>  <Synonyms> (400)
telepathine

>  <Target> (400)
PPAR¦Ã,MAO-A

>  <Form> (400)
free base

>  <CAS> (400)
442-51-3

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

$$$$
S3980 Pyridoxine.cdx
csChFnd80/08142011062D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6436    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (401)
401

>  <Formula> (401)
C8H11NO3

>  <MolWeight> (401)
169.17784

>  <Cat> (401)
S3980

>  <Name> (401)
Pyridoxine

>  <Synonyms> (401)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (401)
Others

>  <Form> (401)
free base

>  <CAS> (401)
65-23-6

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

$$$$
S4990 TBHQ.cdx
csChFnd80/08142011062D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (402)
402

>  <Formula> (402)
C10H14O2

>  <MolWeight> (402)
166.21696

>  <Cat> (402)
S4990

>  <Name> (402)
TBHQ

>  <Synonyms> (402)
Tert-butylhydroquinone

>  <Target> (402)
Nrf2

>  <Form> (402)
free base

>  <CAS> (402)
1948-33-0

>  <URL> (402)
http://selleckchem.com/products/tbhq.html

$$$$
S4953 Usnic acid.cdx
csChFnd80/08142011062D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (403)
403

>  <Formula> (403)
C18H16O7

>  <MolWeight> (403)
344.31544

>  <Cat> (403)
S4953

>  <Name> (403)
Usnic acid

>  <Synonyms> (403)
Usniacin

>  <Target> (403)
Others

>  <Form> (403)
free base

>  <CAS> (403)
125-46-2

>  <URL> (403)
http://selleckchem.com/products/usnic-acid.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (404)
404

>  <Formula> (404)
C32H40O8

>  <MolWeight> (404)
552.6552

>  <Cat> (404)
S3832

>  <Name> (404)
Euphorbiasteroid

>  <Synonyms> (404)
Euphorbia factor L1

>  <Target> (404)
Others

>  <Form> (404)
free base

>  <CAS> (404)
28649-59-4

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

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/08142011062D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (405)
405

>  <Formula> (405)
C10H13N5O

>  <MolWeight> (405)
219.24312

>  <Cat> (405)
S4884

>  <Name> (405)
Trans-Zeatin

>  <Synonyms> (405)
(E)-Zeatin

>  <Target> (405)
Others

>  <CAS> (405)
1637-39-4

>  <URL> (405)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4959 Skatole.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (406)
406

>  <Formula> (406)
C9H9N

>  <MolWeight> (406)
131.17446

>  <Cat> (406)
S4959

>  <Name> (406)
Skatole

>  <Synonyms> (406)
3-methylindole, Scatole

>  <Target> (406)
Anti-infection

>  <CAS> (406)
83-34-1

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

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (407)
407

>  <Formula> (407)
C47H80O18

>  <MolWeight> (407)
933.1273

>  <Cat> (407)
S3785

>  <Name> (407)
Notoginsenoside R1

>  <Synonyms> (407)
Sanchinoside R1

>  <Target> (407)
Others

>  <Form> (407)
free base

>  <CAS> (407)
80418-24-2

>  <URL> (407)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
GW 5074.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (408)
408

>  <Formula> (408)
C15H8Br2INO2

>  <MolWeight> (408)
520.94199

>  <Cat> (408)
S2872

>  <Name> (408)
GW5074

>  <Synonyms> (408)
N/A

>  <Target> (408)
Raf

>  <Form> (408)
free base

>  <CAS> (408)
220904-83-6

>  <URL> (408)
http://selleckchem.com/products/gw5074.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (409)
409

>  <Formula> (409)
C29H36O15

>  <MolWeight> (409)
624.58714

>  <Cat> (409)
S2323

>  <Name> (409)
Methyl-Hesperidin

>  <Form> (409)
free base

>  <CAS> (409)
 11013-97-1

$$$$
SNS-314 Mesylate.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (410)
410

>  <Formula> (410)
C19H19ClN6O4S3

>  <MolWeight> (410)
527.03996

>  <Cat> (410)
S1154

>  <Name> (410)
SNS-314 Mesylate

>  <Synonyms> (410)
N/A

>  <Target> (410)
Aurora Kinase

>  <Form> (410)
Mesylate

>  <CAS> (410)
1146618-41-8

>  <URL> (410)
http://www.selleckchem.com/products/SNS-314.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (411)
411

>  <Formula> (411)
C21H18O12

>  <MolWeight> (411)
462.36042

>  <Cat> (411)
S3810

>  <Name> (411)
Scutellarin

>  <Synonyms> (411)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (411)
Others

>  <Form> (411)
free base

>  <CAS> (411)
27740-01-8

>  <URL> (411)
http://www.selleckchem.com/products/scutellarin.html

$$$$
untitled.cdx
csChFnd80/08142011062D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (412)
412

>  <Formula> (412)
C24H25ClFN5O3

>  <MolWeight> (412)
485.9384032

>  <Cat> (412)
S1019

>  <Name> (412)
CI-1033 (Canertinib)

>  <Synonyms> (412)
PD-183805 

>  <Target> (412)
EGFR, HER2

>  <Form> (412)
Free Base

>  <CAS> (412)
267243-28-7

>  <URL> (412)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
csChFnd80/08142011062D

 41 45  0  0  0  0  0  0  0  0999 V2000
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 36 37  1  0  0  0  0
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 41 36  1  0  0  0  0
M  END
>  <Mol_ID> (413)
413

>  <Formula> (413)
C31H42N6O4

>  <MolWeight> (413)
562.70298

>  <Cat> (413)
S1043

>  <Name> (413)
Tandutinib (MLN518)

>  <Synonyms> (413)
CT53518

>  <Target> (413)
Flt

>  <Form> (413)
Free Base

>  <CAS> (413)
387867-13-2

>  <URL> (413)
http://www.selleckchem.com/products/Tandutinib-(MLN518).html

$$$$
untitled.cdx
csChFnd80/08142011062D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 18 19  1  0  0  0  0
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 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
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 22 23  1  0  0  0  0
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 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (414)
414

>  <Formula> (414)
C22H24BrFN4O2

>  <MolWeight> (414)
475.3539632

>  <Cat> (414)
S1046

>  <Name> (414)
Vandetanib (ZD6474)

>  <Synonyms> (414)
N/A

>  <Target> (414)
VEGFR

>  <Form> (414)
Free Base

>  <CAS> (414)
443913-73-3

>  <URL> (414)
http://www.selleckchem.com/products/Vandetanib.html

$$$$
untitled.cdx
csChFnd80/08142011062D

 27 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (415)
415

>  <Formula> (415)
C21H46NO4P

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>  <Name> (415)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (415)
N/A

>  <Target> (415)
Akt

>  <Form> (415)
Free Base

>  <CAS> (415)
58066-85-6

>  <URL> (415)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
NU7026.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (416)
416

>  <Formula> (416)
C17H15NO3

>  <MolWeight> (416)
281.3059

>  <Cat> (416)
S2893

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NU7026

>  <Synonyms> (416)
N/A

>  <Target> (416)
DNA-PK

>  <Form> (416)
Free Base

>  <CAS> (416)
154447-35-5

>  <URL> (416)
http://www.selleckchem.com/products/nu7026.html

$$$$
Vinpocetine.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (417)
417

>  <Formula> (417)
C22H26N2O2

>  <MolWeight> (417)
350.45404

>  <Cat> (417)
S2110

>  <Name> (417)
Vinpocetine (Cavinton)

>  <Synonyms> (417)
N/A

>  <Target> (417)
Sodium Channel

>  <Form> (417)
Free Base

>  <CAS> (417)
42971-09-5

>  <URL> (417)
http://www.selleckchem.com/products/vinpocetine-cavinton.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/08142011062D

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>  <Mol_ID> (418)
418

>  <Formula> (418)
C11H6F3NO2S

>  <MolWeight> (418)
273.2310496

>  <Cat> (418)
S8005

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SMI-4a

>  <Synonyms> (418)
N/A

>  <Target> (418)
Pim

>  <Form> (418)
Free Base

>  <CAS> (418)
438190-29-5

>  <URL> (418)
http://www.selleckchem.com/products/smi-4a.html

$$$$
VE-821.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (419)
419

>  <Formula> (419)
C18H16N4O3S

>  <MolWeight> (419)
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>  <Cat> (419)
S8007

>  <Name> (419)
VE-821

>  <Synonyms> (419)
N/A

>  <Target> (419)
ATM/ATR

>  <Form> (419)
Free Base

>  <CAS> (419)
1232410-49-9

>  <URL> (419)
http://www.selleckchem.com/products/ve-821.html

$$$$
GSK2636771.cdx
csChFnd80/08142011062D

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    6.0791    7.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791    9.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    9.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4152    7.3683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2409    8.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4152    9.6414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6409    8.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8478    6.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8579    5.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5056    5.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5156    4.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8780    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2303    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2202    3.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5926    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2403    0.9899    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9449    1.7146    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9549    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    7.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624   11.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   12.0097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748   12.0097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    7.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    5.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 23 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
 31 23  1  0  0  0  0
M  END
>  <Mol_ID> (420)
420

>  <Formula> (420)
C22H22F3N3O3

>  <MolWeight> (420)
433.4235896

>  <Cat> (420)
S8002

>  <Name> (420)
GSK2636771

>  <Synonyms> (420)
N/A

>  <Target> (420)
PI3K

>  <Form> (420)
Free Base

>  <CAS> (420)
1372540-25-4

>  <URL> (420)
http://www.selleckchem.com/products/gsk2636771.html

$$$$
PQ 401.cdx
csChFnd80/08142011062D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0588    4.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    6.2880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    4.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    0.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2154    2.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    4.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    6.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    8.3880    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877    2.1002    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
  2  4  1  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
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  9 14  1  0  0  0  0
  6 15  1  0  0  0  0
  4  8  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (421)
421

>  <Formula> (421)
C18H16ClN3O2

>  <MolWeight> (421)
341.79154

>  <Cat> (421)
S8003

>  <Name> (421)
PQ 401

>  <Synonyms> (421)
N/A

>  <Target> (421)
IGF-1R

>  <Form> (421)
Free Base

>  <CAS> (421)
196868-63-0

>  <URL> (421)
http://www.selleckchem.com/products/pq-401.html

$$$$
AG 18.cdx
csChFnd80/08142011062D

 14 14  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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    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
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  3  0  0  0  0
  9 13  3  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (422)
422

>  <Formula> (422)
C10H6N2O2

>  <MolWeight> (422)
186.16684

>  <Cat> (422)
S8009

>  <Name> (422)
AG 18 (Tyrphostin 23)

>  <Synonyms> (422)
RG-50810

>  <Target> (422)
EGFR

>  <Form> (422)
Free Base

>  <CAS> (422)
118409-57-7

>  <URL> (422)
http://www.selleckchem.com/products/ag-18-tyrphostin-23.html

$$$$

csChFnd80/08142011062D

 37 40  0  0  0  0  0  0  0  0999 V2000
    8.2594    6.0622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8594    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1594    7.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1594    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    5.5497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365    5.9824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7594    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365    3.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    4.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555    1.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3097    4.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.1244    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881    2.7702    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7784    0.8147    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9594    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3594    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0594    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2594    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4594    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5594    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1594    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4594    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2594    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6594    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6594    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2594    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7594    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4594    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3594    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7594    4.8497    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
  2  4  1  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
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
  9 11  1  0  0  0  0
  4  7  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
 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 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 24 33  2  0  0  0  0
 28 33  1  0  0  0  0
 23 27  1  0  0  0  0
 34 35  1  0  0  0  0
 31 34  1  0  0  0  0
 36 37  1  0  0  0  0
 30 36  1  0  0  0  0
 19 23  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
>  <Mol_ID> (423)
423

>  <Formula> (423)
C24H22F3N5O5

>  <MolWeight> (423)
517.4571896

>  <Cat> (423)
S8015

>  <Name> (423)
CEP-32496

>  <Synonyms> (423)
N/A

>  <Target> (423)
Raf

>  <Form> (423)
Free Base

>  <CAS> (423)
1188910-76-0

>  <URL> (423)
http://www.selleckchem.com/products/cep-32496.html

$$$$
AP26113.cdx
csChFnd80/08142011062D

 36 39  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 N   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
   13.3368    6.3000    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    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 N   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
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    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
   16.9741    2.8000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   16.2741    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6741    1.5876    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
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 C   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
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    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (424)
424

>  <Formula> (424)
C26H34ClN6O2P

>  <MolWeight> (424)
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>  <Synonyms> (424)
N/A

>  <Target> (424)
ALK

>  <Form> (424)
Free Base

>  <CAS> (424)
1197958-12-5

>  <URL> (424)
http://www.selleckchem.com/products/ap26113.html

$$$$
AZD5363.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (425)
425

>  <Formula> (425)
C21H25ClN6O2

>  <MolWeight> (425)
428.9152

>  <Cat> (425)
S8019

>  <Name> (425)
AZD5363

>  <Synonyms> (425)
N/A

>  <Target> (425)
Akt

>  <Form> (425)
Free Base

>  <CAS> (425)
1143532-39-1

>  <URL> (425)
http://www.selleckchem.com/products/azd5363.html

$$$$
AG-1296.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (426)
426

>  <Formula> (426)
C16H14N2O2

>  <MolWeight> (426)
266.29456

>  <Cat> (426)
S8024

>  <Name> (426)
Tyrphostin AG 1296 (AG 1296)

>  <Synonyms> (426)
N/A

>  <Target> (426)
PDGFR

>  <Form> (426)
Free Base

>  <CAS> (426)
146535-11-7

>  <URL> (426)
http://www.selleckchem.com/products/tyrphostin-ag-1296-ag-1296.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/08142011062D

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>  <Mol_ID> (427)
427

>  <Formula> (427)
C18H20N2O4S

>  <MolWeight> (427)
360.4274

>  <Cat> (427)
S8023

>  <Name> (427)
TCS 359

>  <Synonyms> (427)
N/A

>  <Target> (427)
FLT3

>  <Form> (427)
Free Base

>  <CAS> (427)
301305-73-7

>  <URL> (427)
http://www.selleckchem.com/products/tcs-359.html

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/08142011062D

  7  4  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (428)
428

>  <Formula> (428)
FNa2O3P

>  <MolWeight> (428)
143.9499042

>  <Cat> (428)
S4013

>  <Name> (428)
Sodium Monofluorophosphate

>  <Synonyms> (428)
Sodium Fluorophosphate

>  <Target> (428)
Others
phosphatase

>  <Form> (428)
Disodium salt

>  <CAS> (428)
10163-15-2

>  <URL> (428)
http://www.selleckchem.com/products/sodium-monofluorophosphate.html

$$$$
IPI-145.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (429)
429

>  <Formula> (429)
C22H17ClN6O

>  <MolWeight> (429)
416.86298

>  <Cat> (429)
S7028

>  <Name> (429)
Duvelisib (IPI-145, INK1197)

>  <Synonyms> (429)
N/A

>  <Target> (429)
PI3K

>  <Form> (429)
Free Base

>  <CAS> (429)
1201438-56-3

>  <URL> (429)
http://www.selleckchem.com/products/ipi-145-ink1197.html

$$$$
Necrostatin-1.cdx
csChFnd80/08142011062D

 18 20  0  0  0  0  0  0  0  0999 V2000
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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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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (430)
430

>  <Formula> (430)
C13H13N3OS

>  <MolWeight> (430)
259.32682

>  <Cat> (430)
S8037

>  <Name> (430)
Necrostatin-1

>  <Synonyms> (430)
N/A

>  <Target> (430)
TNF-alpha

>  <Form> (430)
Free Base

>  <CAS> (430)
4311-88-0

>  <URL> (430)
http://www.selleckchem.com/products/necrostatin-1.html

$$$$
STATTIC.cdx
csChFnd80/08142011062D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1770    0.2674    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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  4  5  1  0  0  0  0
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  9 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (431)
431

>  <Formula> (431)
C8H5NO4S

>  <MolWeight> (431)
211.1946

>  <Cat> (431)
S7024

>  <Name> (431)
Stattic

>  <Synonyms> (431)
N/A

>  <Target> (431)
STAT

>  <Form> (431)
Free Base

>  <CAS> (431)
19983-44-9

>  <URL> (431)
http://www.selleckchem.com/products/stattic.html

$$$$
GW2580.cdx
csChFnd80/08142011062D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5240    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7322    0.0024    0.0000 O   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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M  END
>  <Mol_ID> (432)
432

>  <Formula> (432)
C20H22N4O3

>  <MolWeight> (432)
366.41368

>  <Cat> (432)
S8042

>  <Name> (432)
GW2580

>  <Synonyms> (432)
N/A

>  <Target> (432)
CSF-1R

>  <Form> (432)
Free Base

>  <CAS> (432)
870483-87-7

>  <URL> (432)
http://www.selleckchem.com/products/gw2580.html

$$$$
Butein.cdx
csChFnd80/08142011062D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6599    3.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (433)
433

>  <Formula> (433)
C15H12O5

>  <MolWeight> (433)
272.25278

>  <Cat> (433)
S8036

>  <Name> (433)
Butein

>  <Synonyms> (433)
N/A

>  <Target> (433)
EGFR

>  <Form> (433)
Free Base

>  <CAS> (433)
487-52-5

>  <URL> (433)
https://www.selleckchem.com/products/butein.html

$$$$
(-)-Blebbistatin.cdx
csChFnd80/08142011062D

 22 25  0  0  0  0  0  0  0  0999 V2000
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    2.4368    3.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C18H16N2O2

>  <MolWeight> (434)
292.33184

>  <Cat> (434)
S7099

>  <Name> (434)
(-)-Blebbistatin

>  <Synonyms> (434)
N/A

>  <Target> (434)
ATPase

>  <Form> (434)
Free Base

>  <CAS> (434)
856925-71-8

>  <URL> (434)
https://www.selleckchem.com/products/blebbistatin.html

$$$$
GDC-0349.cdx
csChFnd80/08142011062D

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ALK 

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761439-42-3

>  <URL> (436)
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1022150-57-7

>  <URL> (437)
http://www.selleckchem.com/products/SGX-523.html

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956958-53-5

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 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 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> (439)
439

>  <Formula> (439)
C22H24ClN3O4

>  <MolWeight> (439)
429.89666

>  <Cat> (439)
S1023

>  <Name> (439)
Erlotinib(OSI-744)

>  <Synonyms> (439)
(CP358774, NSC 718781) HCl

>  <Target> (439)
EGFR

>  <Form> (439)
Hydrochloride

>  <CAS> (439)
183319-69-9

>  <URL> (439)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/08142011062D

 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
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  6  1  2  0  0  0  0
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  2 10  1  0  0  0  0
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 11 12  2  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 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
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 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (440)
440

>  <Formula> (440)
C16H15BrClN5O4S

>  <MolWeight> (440)
488.7434

>  <Cat> (440)
S1205

>  <Name> (440)
PIK-75 

>  <Synonyms> (440)
N/A

>  <Target> (440)
PI3K, DNA-PK

>  <Form> (440)
Hydrochloride

>  <CAS> (440)
372196-77-5

>  <URL> (440)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
S1037.cdx
csChFnd80/08142011062D

 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
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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
  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
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 19 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 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> (441)
441

>  <Formula> (441)
C25H52NO4P

>  <MolWeight> (441)
461.658441

>  <Cat> (441)
S1037

>  <Name> (441)
Perifosine (KRX-0401)

>  <Synonyms> (441)
NSC639966

>  <Target> (441)
Akt

>  <Form> (441)
Free Base

>  <CAS> (441)
157716-52-4

>  <URL> (441)
http://www.selleckchem.com/products/Perifosine.html

$$$$
Ellagic acid.cdx
csChFnd80/08142011062D

 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
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 10  5  2  0  0  0  0
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 13  6  2  0  0  0  0
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 16  1  2  0  0  0  0
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  3 19  2  0  0  0  0
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 12 22  2  0  0  0  0
M  END
>  <Mol_ID> (442)
442

>  <Formula> (442)
C14H6O8

>  <MolWeight> (442)
302.19264

>  <Cat> (442)
S1327

>  <Name> (442)
Ellagic acid

>  <Synonyms> (442)
N/A

>  <Target> (442)
Topoisomerases

>  <Form> (442)
Free Base

>  <CAS> (442)
476-66-4

>  <URL> (442)
http://www.selleckchem.com/products/Ellagic-acid.html

$$$$
bms-707035.cdx
csChFnd80/08142011062D

 24 27  0  0  0  0  0  0  0  0999 V2000
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PI3K, mTOR

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Free Base

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958852-01-2

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

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N/A

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p38 MAPK

>  <Form> (444)
Dimesylate

>  <CAS> (444)
862507-23-1

>  <URL> (444)
http://www.selleckchem.com/products/LY2228820.html

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CCT129202

>  <Synonyms> (445)
N/A

>  <Target> (445)
Aurora Kinase

>  <Form> (445)
Free Base

>  <CAS> (445)
942947-93-5

>  <URL> (445)
http://www.selleckchem.com/products/CCT129202.html

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HER2, EGFR

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Free Base

>  <CAS> (446)
698387-09-6

>  <URL> (446)
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N/A 

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Syk

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Sodium Salt

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1025687-58-4

>  <URL> (447)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

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p38 MAPK 

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745833-23-2

>  <URL> (448)
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1197160-78-3

>  <URL> (449)
http://www.selleckchem.com/products/pki587.html

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 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
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 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
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 23 18  1  0  0  0  0
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 25 26  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (450)
450

>  <Formula> (450)
C25H19NO3S

>  <MolWeight> (450)
413.48826

>  <Cat> (450)
S2638

>  <Name> (450)
NU7441(KU-57788)

>  <Synonyms> (450)
N/A 

>  <Target> (450)
DNA-PK, PI3K

>  <Form> (450)
Free Base

>  <CAS> (450)
503468-95-9 

>  <URL> (450)
http://www.selleckchem.com/products/nu7441.html

$$$$
SCH 900776.cdx
csChFnd80/08142011062D

 23 26  0  0  0  0  0  0  0  0999 V2000
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    7.1449    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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M  END
>  <Mol_ID> (451)
451

>  <Formula> (451)
C15H18BrN7

>  <MolWeight> (451)
376.25432

>  <Cat> (451)
S2735

>  <Name> (451)
MK-8776 (SCH 900776)

>  <Synonyms> (451)
N/A

>  <Target> (451)
CHK

>  <Form> (451)
Free Base

>  <CAS> (451)
891494-63-6

>  <URL> (451)
http://www.selleckchem.com/products/sch-900776.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/08142011062D

 36 37  0  0  0  0  0  0  0  0999 V2000
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   12.1117    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (452)
452

>  <Formula> (452)
C23H14Na2O11

>  <MolWeight> (452)
512.3302

>  <Cat> (452)
S1911

>  <Name> (452)
Disodium Cromoglycate

>  <Synonyms> (452)
Gynazole

>  <Target> (452)
Calcium Channel

>  <Form> (452)
Disodium Salt

>  <CAS> (452)
15826-37-6

>  <URL> (452)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

$$$$
CCT137690.cdx
csChFnd80/08142011062D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (453)
453

>  <Formula> (453)
C26H31BrN8O

>  <MolWeight> (453)
551.48134

>  <Cat> (453)
S2744

>  <Name> (453)
CCT137690

>  <Synonyms> (453)
N/A

>  <Target> (453)
Aurora Kinase

>  <Form> (453)
Free Base

>  <CAS> (453)
1095382-05-0

>  <URL> (453)
http://www.selleckchem.com/products/cct137690.html

$$$$
PYR 41.cdx
csChFnd80/08142011062D

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305834-79-1

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1207293-36-4

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http://www.selleckchem.com/products/bi-847325.html

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458

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>  <MolWeight> (458)
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>  <Synonyms> (458)
N/A

>  <Target> (458)
LRRK2

>  <Form> (458)
Free Base

>  <CAS> (458)
1234480-84-2

>  <URL> (458)
http://www.selleckchem.com/products/lrrk2-in-1.html

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>  <Mol_ID> (459)
459

>  <Formula> (459)
C31H23F2N5O3

>  <MolWeight> (459)
551.5428264

>  <Cat> (459)
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>  <Name> (459)
NPS-1034

>  <Synonyms> (459)
N/A

>  <Target> (459)
c-Met

>  <Form> (459)
Free Base

>  <CAS> (459)
1221713-92-3

>  <URL> (459)
http://www.selleckchem.com/products/nps-1034.html

$$$$
KN-93 H3PO4.cdx
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>  <Mol_ID> (460)
460

>  <Formula> (460)
C26H32ClN2O8PS

>  <MolWeight> (460)
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>  <Cat> (460)
S7423

>  <Name> (460)
KN-93 Phosphate

>  <Synonyms> (460)
N/A

>  <Target> (460)
CaMK

>  <Form> (460)
Free Base

>  <CAS> (460)
1188890-41-6

>  <URL> (460)
http://www.selleckchem.com/products/kn-93-phosphate.html

$$$$
GDC0623.cdx
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>  <Mol_ID> (461)
461

>  <Formula> (461)
C16H14FIN4O3

>  <MolWeight> (461)
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>  <Cat> (461)
S7553

>  <Name> (461)
GDC-0623

>  <Synonyms> (461)
G-868

>  <Target> (461)
MEK

>  <Form> (461)
Free Base

>  <CAS> (461)
1168091-68-6

>  <URL> (461)
http://www.selleckchem.com/products/gdc-0623.html

$$$$
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PI3K

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Free Base

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1276553-09-3

>  <URL> (462)
http://www.selleckchem.com/products/pf-4989216.html

$$$$
AZD8186.cdx
csChFnd80/08142011062D

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AZD8186

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N/A

>  <Target> (463)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (463)
Free Base

>  <CAS> (463)
1627494-13-6

>  <URL> (463)
http://www.selleckchem.com/products/azd8186.html

$$$$
Dibutyryl-cAMP.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (464)
464

>  <Formula> (464)
C18H23N5NaO8P

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>  <Cat> (464)
S7858

>  <Name> (464)
Dibutyryl-cAMP (Bucladesine)

>  <Synonyms> (464)
dbcAMP

>  <Target> (464)
PKA

>  <Form> (464)
sodium salt

>  <CAS> (464)
16980-89-5

>  <URL> (464)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

$$$$
8-Bromo-cAMP.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (465)
465

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>  <Name> (465)
8-Bromo-cAMP

>  <Synonyms> (465)
N/A

>  <Target> (465)
PKA

>  <Form> (465)
sodium salt

>  <CAS> (465)
76939-46-3

>  <URL> (465)
http://www.selleckchem.com/products/8-bromo-camp.html

$$$$
BLU9931.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (466)
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N/A

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FGFR

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Free Base

>  <CAS> (466)
1538604-68-0

>  <URL> (466)
http://www.selleckchem.com/products/blu9931.html

$$$$
TP-0903.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (467)
467

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C24H30ClN7O2S

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S7846

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TP-0903

>  <Synonyms> (467)
N/A

>  <Target> (467)
TAM Receptor

>  <Form> (467)
Free Base

>  <CAS> (467)
1341200-45-0

>  <URL> (467)
http://www.selleckchem.com/products/tp-0903.html

$$$$
FLLL32.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (468)
468

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C28H32O6

>  <MolWeight> (468)
464.55008

>  <Cat> (468)
S7259

>  <Name> (468)
FLLL32

>  <Synonyms> (468)
N/A

>  <Target> (468)
JAK

>  <Form> (468)
Free Base

>  <CAS> (468)
1226895-15-3

>  <URL> (468)
http://www.selleckchem.com/products/flll32.html

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/08142011062D

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>  <Mol_ID> (469)
469

>  <Formula> (469)
C26H44NNaO6S

>  <MolWeight> (469)
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>  <Cat> (469)
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>  <Name> (469)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (469)
N/A

>  <Target> (469)
Antifection

>  <Form> (469)
sodium salt

>  <CAS> (469)
35807-85-3

>  <URL> (469)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/08142011062D

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N/A

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TAM Receptor

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hydrochloride salt

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1429881-91-3

>  <URL> (478)
http://www.selleckchem.com/products/unc-2025.html

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>  <MolWeight> (479)
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N/A

>  <Target> (479)
Akt

>  <Form> (479)
Free Base

>  <CAS> (479)
1616632-77-9

>  <URL> (479)
http://www.selleck.cn/products/tic-10.html

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>  <MolWeight> (480)
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>  <Cat> (480)
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>  <Target> (480)
Akt

>  <Form> (480)
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>  <CAS> (480)
612847-09-3

>  <URL> (480)
http://www.selleck.cn/products/akti-1-2.html

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N/A

>  <Target> (481)
GSK-3

>  <Form> (481)
Free Base

>  <CAS> (481)
667463-85-6

>  <URL> (481)
http://www.selleck.cn/products/bio-acetoxime.html

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AZD3264

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I¦ÊB/IKK

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Free Base

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1609281-86-8

>  <URL> (483)
http://www.selleckchem.com/products/azd3264.html

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BAY 1895344

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N/A

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ATR

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hydrochloride

>  <CAS> (484)
1876467-74-1(free base)

>  <URL> (484)
http://www.selleckchem.com/products/bay-1895344.html

$$$$
S5119 Olivetol.cdx
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CB1,CB2,CYP1A1,CYP2C19

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free base

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500-66-3

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L-Leucine

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free base

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61-90-5

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http://www.selleckchem.com/products/l-leucine.html

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   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
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  1 10  1  0  0  0  0
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M  END
>  <Mol_ID> (487)
487

>  <Formula> (487)
C17H15N9

>  <MolWeight> (487)
345.3613

>  <Cat> (487)
S7674

>  <Name> (487)
Savolitinib(AZD6094, HMPL-504)

>  <Synonyms> (487)
Volitinib

>  <Target> (487)
MET

>  <Form> (487)
free base

>  <CAS> (487)
1313725-88-0

>  <URL> (487)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
S3801 Sodium Houttuyfonate.cdx
csChFnd80/08142011062D

 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
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   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
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   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
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    0.0000    0.5124    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
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M  END
>  <Mol_ID> (488)
488

>  <Formula> (488)
C14H27NaO5S

>  <MolWeight> (488)
330.41595

>  <Cat> (488)
S3801

>  <Name> (488)
Sodium Houttuyfonate

>  <Synonyms> (488)
N/A

>  <Target> (488)
Antifection

>  <Form> (488)
sodium salt

>  <CAS> (488)
1847-58-1

>  <URL> (488)
http://www.selleckchem.com/products/sodium-houttuyfonate.html

$$$$
S3813 Bakuchiol.cdx
csChFnd80/08142011062D

 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
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M  END
>  <Mol_ID> (489)
489

>  <Formula> (489)
C18H24O

>  <MolWeight> (489)
256.38256

>  <Cat> (489)
S3813

>  <Name> (489)
Bakuchiol

>  <Synonyms> (489)
(S)-(+)-Bakuchiol

>  <Target> (489)
Immunology & Inflammation related

>  <Form> (489)
free base

>  <CAS> (489)
10309-37-2

>  <URL> (489)
http://www.selleckchem.com/products/bakuchiol.html

$$$$
AZD1080.cdx
csChFnd80/08142011062D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.4207    9.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    6.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  3  0  0  0  0
M  END
>  <Mol_ID> (490)
490

>  <Formula> (490)
C19H18N4O2

>  <MolWeight> (490)
334.37182

>  <Cat> (490)
S7145

>  <Name> (490)
AZD1080

>  <Synonyms> (490)
N/A

>  <Target> (490)
GSK-3

>  <Form> (490)
Free Base

>  <CAS> (490)
612487-72-6

>  <URL> (490)
http://www.selleckchem.com/products/azd1080.html

$$$$
SKI II (SphK-I2).cdx
csChFnd80/08142011062D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (491)
491

>  <Formula> (491)
C15H11ClN2OS

>  <MolWeight> (491)
302.77864

>  <Cat> (491)
S7176

>  <Name> (491)
SKI II

>  <Synonyms> (491)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (491)
S1P Receptor

>  <Form> (491)
Free Base

>  <CAS> (491)
312636-16-1

>  <URL> (491)
http://www.selleckchem.com/products/ski-ii.html

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/08142011062D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (492)
492

>  <Formula> (492)
C17H15BrF2N4O3

>  <MolWeight> (492)
441.2268064

>  <Cat> (492)
S7007

>  <Name> (492)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (492)
N/A

>  <Target> (492)
MEK

>  <Form> (492)
Free Base

>  <CAS> (492)
606143-89-9

>  <URL> (492)
http://www.selleckchem.com/products/mek162.html

$$$$
GSK2334470.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (493)
493

>  <Formula> (493)
C25H34N8O

>  <MolWeight> (493)
462.59046

>  <Cat> (493)
S7087

>  <Name> (493)
GSK2334470

>  <Synonyms> (493)
N/A

>  <Target> (493)
PDK-1

>  <Form> (493)
Free Base

>  <CAS> (493)
1227911-45-6

>  <URL> (493)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (494)
494

>  <Formula> (494)
C24H26N4O

>  <MolWeight> (494)
386.48944

>  <Cat> (494)
S7127

>  <Name> (494)
TIC10 analogue

>  <Synonyms> (494)
TRAIL-inducing Compound 10

>  <Target> (494)
Akt

>  <Form> (494)
Free Base

>  <CAS> (494)
41276-02-2

>  <URL> (494)
http://www.selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (495)
495

>  <Formula> (495)
C16H10BrN3O2

>  <MolWeight> (495)
356.1735

>  <Cat> (495)
S7198

>  <Name> (495)
BIO

>  <Synonyms> (495)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (495)
GSK-3

>  <Form> (495)
Free Base

>  <CAS> (495)
667463-62-9

>  <URL> (495)
http://www.selleckchem.com/products/bio.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (496)
496

>  <Formula> (496)
C17H13N5

>  <MolWeight> (496)
287.31862

>  <Cat> (496)
S7223

>  <Name> (496)
RepSox

>  <Synonyms> (496)
E-616452, SJN 2511

>  <Target> (496)
TGF-beta/Smad

>  <Form> (496)
Free Base

>  <CAS> (496)
446859-33-2

>  <URL> (496)
http://www.selleckchem.com/products/repsox.html

$$$$
AZD2858.cdx
csChFnd80/08142011062D

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 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (497)
497

>  <Formula> (497)
C21H23N7O3S

>  <MolWeight> (497)
453.51742

>  <Cat> (497)
S7253

>  <Name> (497)
AZD2858

>  <Synonyms> (497)
N/A

>  <Target> (497)
GSK-3

>  <Form> (497)
Free Base

>  <CAS> (497)
486424-20-8

>  <URL> (497)
http://www.selleckchem.com/products/azd2858.html

$$$$
ZM39923 HCl.cdx
csChFnd80/08142011062D

 26 27  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
 16 17  1  0  0  0  0
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  3 15  1  0  0  0  0
M  END
>  <Mol_ID> (498)
498

>  <Formula> (498)
C23H26ClNO

>  <MolWeight> (498)
367.91164

>  <Cat> (498)
S8004

>  <Name> (498)
ZM 39923 HCl

>  <Synonyms> (498)
N/A

>  <Target> (498)
JAK

>  <Form> (498)
HCl

>  <CAS> (498)
1021868-92-7

>  <URL> (498)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (499)
499

>  <Formula> (499)
C26H27N5O5S2

>  <MolWeight> (499)
553.65308

>  <Cat> (499)
S7207

>  <Name> (499)
Ro 31-8220 Mesylate

>  <Synonyms> (499)
Bisindolylmaleimide IX Mesylate

>  <Target> (499)
PKC

>  <Form> (499)
Mesylate

>  <CAS> (499)
138489-18-6

>  <URL> (499)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
Bardoxolone Methyl.cdx
csChFnd80/08142011062D

 40 44  0  0  0  0  0  0  0  0999 V2000
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 33 34  3  0  0  0  0
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  9 36  1  1  0  0  0
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M  END
>  <Mol_ID> (500)
500

>  <Formula> (500)
C32H43NO4

>  <MolWeight> (500)
505.68812

>  <Cat> (500)
S8078

>  <Name> (500)
Bardoxolone Methyl

>  <Synonyms> (500)
RTA 402, TP-155, NSC 713200, CDDO Methyl Ester

>  <Target> (500)
I¦ÊB/IKK

>  <Form> (500)
Free Base

>  <CAS> (500)
218600-53-4

>  <URL> (500)
http://www.selleckchem.com/products/bardoxolone-methyl.html

$$$$
CZC24832.cdx
csChFnd80/08142011062D

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1345675-02-6

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1251156-08-7

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M  END
>  <Mol_ID> (505)
505

>  <Formula> (505)
C27H28F3N7O3

>  <MolWeight> (505)
555.5515296

>  <Cat> (505)
S7284

>  <Name> (505)
Rociletinib (CO-1686, AVL-301)

>  <Synonyms> (505)
CNX-419, AVL-301

>  <Target> (505)
EGFR

>  <Form> (505)
Free Base

>  <CAS> (505)
1374640-70-6

>  <URL> (505)
http://www.selleckchem.com/products/co-1686.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/08142011062D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (506)
506

>  <Formula> (506)
C24H27Cl2N5O

>  <MolWeight> (506)
472.41008

>  <Cat> (506)
S7306

>  <Name> (506)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (506)
BML-275,Compound C

>  <Target> (506)
AMPK

>  <Form> (506)
Dihydrochloride

>  <CAS> (506)
1219168-18-9

>  <URL> (506)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EHop-016.cdx
csChFnd80/08142011062D

 32 36  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.8000    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
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (507)
507

>  <Formula> (507)
C25H30N6O

>  <MolWeight> (507)
430.5453

>  <Cat> (507)
S7319

>  <Name> (507)
EHop-016

>  <Synonyms> (507)
N/A

>  <Target> (507)
Rac

>  <Form> (507)
Free Base

>  <CAS> (507)
1380432-32-5

>  <URL> (507)
http://www.selleckchem.com/products/ehop-016.html

$$$$
Skepinone-L.cdx
csChFnd80/08142011062D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (508)
508

>  <Formula> (508)
C24H21F2NO4

>  <MolWeight> (508)
425.4246464

>  <Cat> (508)
S7214

>  <Name> (508)
Skepinone-L

>  <Synonyms> (508)
N/A

>  <Target> (508)
p38 MAPK

>  <Form> (508)
Free Base

>  <CAS> (508)
1221485-83-1

>  <URL> (508)
http://www.selleckchem.com/products/skepinone-l.html

$$$$
bms-345541.cdx
csChFnd80/08142011062D

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587841-73-4

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M  END
>  <Mol_ID> (517)
517

>  <Formula> (517)
C28H32N4O3

>  <MolWeight> (517)
472.57868

>  <Cat> (517)
S8057

>  <Name> (517)
Pacritinib (SB1518)

>  <Synonyms> (517)
N/A

>  <Target> (517)
JAK

>  <Form> (517)
Free Base

>  <CAS> (517)
937272-79-2

>  <URL> (517)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
Sorafenib.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (518)
518

>  <Formula> (518)
C21H16ClF3N4O3

>  <MolWeight> (518)
464.8249496

>  <Cat> (518)
S7397

>  <Name> (518)
Sorafenib

>  <Synonyms> (518)
BAY 43-9006

>  <Target> (518)
Raf

>  <Form> (518)
Free Base

>  <CAS> (518)
284461-73-0

>  <URL> (518)
http://www.selleckchem.com/products/sorafenib.html

$$$$
PF-562271.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (519)
519

>  <Formula> (519)
C21H21ClF3N7O3S

>  <MolWeight> (519)
543.9497496

>  <Cat> (519)
S7357

>  <Name> (519)
PF-562271 HCl

>  <Synonyms> (519)
N/A

>  <Target> (519)
FAK

>  <Form> (519)
Hydrochloride

>  <URL> (519)
http://www.selleckchem.com/products/pf-562271-hcl.html

$$$$
TG003.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (520)
520

>  <Formula> (520)
C13H15NO2S

>  <MolWeight> (520)
249.3287

>  <Cat> (520)
S7320

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TG003

>  <Synonyms> (520)
N/A

>  <Target> (520)
CDK

>  <Form> (520)
Free Base

>  <CAS> (520)
300801-52-9

>  <URL> (520)
http://www.selleckchem.com/products/tg003.html

$$$$
WZ4003.cdx
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AMPK

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1214265-58-3

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http://www.selleckchem.com/products/wz4003.html

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147591-46-6

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http://www.selleckchem.com/products/id-8.html

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14003-96-4

>  <URL> (524)
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M  END
>  <Mol_ID> (534)
534

>  <Formula> (534)
C23H30N8O

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434.5373

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S7440

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Ribociclib (LEE011)

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N/A

>  <Target> (534)
CDK

>  <Form> (534)
Free Base

>  <CAS> (534)
1211441-98-3

>  <URL> (534)
http://www.selleckchem.com/products/lee011.html

$$$$
LM-3230 NH125.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (535)
535

>  <Formula> (535)
C27H45IN2

>  <MolWeight> (535)
524.56407

>  <Cat> (535)
S7436

>  <Name> (535)
NH125

>  <Synonyms> (535)
N/A

>  <Target> (535)
CaMK

>  <Form> (535)
iodide

>  <CAS> (535)
278603-08-0

>  <URL> (535)
http://www.selleckchem.com/products/nh125.html

$$$$
1164470-53-4.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (536)
536

>  <Formula> (536)
C18H15Cl4N3OS

>  <MolWeight> (536)
463.2082

>  <Cat> (536)
S7437

>  <Name> (536)
Sal003

>  <Synonyms> (536)
N/A

>  <Target> (536)
phosphatase

>  <Form> (536)
Free Base

>  <CAS> (536)
1164470-53-4

>  <URL> (536)
http://www.selleckchem.com/products/sal003.html

$$$$
LDN193189 HCl.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (537)
537

>  <Formula> (537)
C25H23ClN6

>  <MolWeight> (537)
442.94332

>  <Cat> (537)
S7507

>  <Name> (537)
LDN193189 HCl

>  <Synonyms> (537)
N/A

>  <Target> (537)
TGF-beta/Smad

>  <Form> (537)
Hydrochloride

>  <CAS> (537)
1062368-62-0

>  <URL> (537)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
LM-3053 SKLB1002.cdx
csChFnd80/08142011062D

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Free Base

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1225451-84-2

>  <URL> (538)
http://www.selleckchem.com/products/sklb1002.html

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676596-65-9

>  <URL> (539)
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540

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328998-25-0

>  <URL> (540)
http://www.selleckchem.com/products/4e1rcat.html

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>  <URL> (542)
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csChFnd80/08142011062D

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543

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CID 44968231

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CDK

>  <Form> (543)
Free Base

>  <CAS> (543)
1285702-20-6

>  <URL> (543)
http://www.selleckchem.com/products/ml167.html

$$$$
ML347.cdx
csChFnd80/08142011062D

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544

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C22H16N4O

>  <MolWeight> (544)
352.38864

>  <Cat> (544)
S7148

>  <Name> (544)
ML347

>  <Synonyms> (544)
N/A

>  <Target> (544)
TGF-beta/Smad

>  <Form> (544)
Free Base

>  <CAS> (544)
1062368-49-3

>  <URL> (544)
http://www.selleckchem.com/products/ml347.html

$$$$
GS-9973.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (545)
545

>  <Formula> (545)
C23H21N7O

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411.45914

>  <Cat> (545)
S7523

>  <Name> (545)
Entospletinib (GS-9973)

>  <Synonyms> (545)
N/A

>  <Target> (545)
Syk

>  <Form> (545)
Free Base

>  <CAS> (545)
1229208-44-9

>  <URL> (545)
http://www.selleckchem.com/products/gs-9973.html

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (546)
546

>  <Formula> (546)
C17H22Cl2N2O3S

>  <MolWeight> (546)
405.33918

>  <Cat> (546)
S7333

>  <Name> (546)
K-Ras(G12C) inhibitor 6

>  <Synonyms> (546)
N/A

>  <Target> (546)
Rho

>  <Form> (546)
Free Base

>  <CAS> (546)
No

>  <URL> (546)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-6.html

$$$$
DMH1.cdx
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522629-08-9

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M  END
>  <Mol_ID> (555)
555

>  <Formula> (555)
C21H18N4O4S

>  <MolWeight> (555)
422.45702

>  <Cat> (555)
S7356

>  <Name> (555)
HS-173

>  <Synonyms> (555)
N/A

>  <Target> (555)
PI3K

>  <Form> (555)
Free Base

>  <CAS> (555)
1276110-06-5

>  <URL> (555)
http://www.selleckchem.com/products/hs-173.html

$$$$
ÐÂ½¨ CS ChemDraw Drawing.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (556)
556

>  <Formula> (556)
C22H26FN3O2

>  <MolWeight> (556)
383.4591432

>  <Cat> (556)
S7215

>  <Name> (556)
Losmapimod

>  <Synonyms> (556)
GW856553X, GW856553, GSK-AHAB

>  <Target> (556)
p38 MAPK

>  <Form> (556)
Free Base

>  <CAS> (556)
585543-15-3

>  <URL> (556)
http://www.selleckchem.com/products/losmapimod.html

$$$$
GNE-0877.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (557)
557

>  <Formula> (557)
C14H16F3N7

>  <MolWeight> (557)
339.3189496

>  <Cat> (557)
S7367

>  <Name> (557)
GNE-0877

>  <Synonyms> (557)
N/A

>  <Target> (557)
Others

>  <Form> (557)
Free Base

>  <CAS> (557)
1374828-69-9

>  <URL> (557)
http://www.selleckchem.com/products/gne-0877.html

$$$$
UNC2881.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (558)
558

>  <Formula> (558)
C25H33N7O2

>  <MolWeight> (558)
463.57522

>  <Cat> (558)
S7325

>  <Name> (558)
UNC2881

>  <Synonyms> (558)
N/A

>  <Target> (558)
TAM Receptor

>  <Form> (558)
Free Base

>  <CAS> (558)
1493764-08-1

>  <URL> (558)
http://www.selleckchem.com/products/unc2881.html

$$$$
PF-543 .cdx
csChFnd80/08142011062D

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>  <Mol_ID> (559)
559

>  <Formula> (559)
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>  <MolWeight> (559)
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>  <Cat> (559)
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>  <Name> (559)
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>  <Synonyms> (559)
N/A

>  <Target> (559)
S1P Receptor

>  <Form> (559)
Free Base

>  <CAS> (559)
1415562-82-1

>  <URL> (559)
http://www.selleckchem.com/products/pf-543.html

$$$$
AZD1208.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (560)
560

>  <Formula> (560)
C21H21N3O2S

>  <MolWeight> (560)
379.47534

>  <Cat> (560)
S7104

>  <Name> (560)
AZD1208

>  <Synonyms> (560)
N/A

>  <Target> (560)
Pim

>  <Form> (560)
Free Base

>  <CAS> (560)
1204144-28-4

>  <URL> (560)
http://www.selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (561)
561

>  <Formula> (561)
C26H25Cl2N3O3

>  <MolWeight> (561)
498.401

>  <Cat> (561)
S7041

>  <Name> (561)
CX-6258 HCl

>  <Synonyms> (561)
N/A

>  <Target> (561)
Pim

>  <Form> (561)
Hydrochloride

>  <CAS> (561)
1353859-00-3

>  <URL> (561)
http://www.selleckchem.com/products/CX-6258.html

$$$$
EHT 1864.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (562)
562

>  <Formula> (562)
C25H29Cl2F3N2O4S

>  <MolWeight> (562)
581.4749696

>  <Cat> (562)
S7482

>  <Name> (562)
EHT 1864 2HCl

>  <Synonyms> (562)
N/A

>  <Target> (562)
Rho

>  <Form> (562)
Dihydrochloride

>  <CAS> (562)
754240-09-0

>  <URL> (562)
http://www.selleckchem.com/products/eht-1864.html

$$$$
EMD 1214063.cdx
csChFnd80/08142011062D

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1073485-20-7

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Others

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Free Base

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1351761-44-8

>  <URL> (571)
http://www.selleckchem.com/products/gne-7915.html

$$$$
PD173955 .cdx
csChFnd80/08142011062D

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PD173955

>  <Synonyms> (572)
N/A 

>  <Target> (572)
Bcr-Abl

>  <Form> (572)
Free Base

>  <CAS> (572)
260415-63-2

>  <URL> (572)
http://www.selleckchem.com/products/pd173955.html

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>  <Formula> (573)
C52H79N5O12

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>  <Name> (573)
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>  <Synonyms> (573)
N/A

>  <Target> (573)
mTOR

>  <Form> (573)
Free Base

>  <CAS> (573)
221877-54-9

>  <URL> (573)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

$$$$
Go6976.cdx
csChFnd80/08142011062D

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N/A

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PKC

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Free Base

>  <CAS> (574)
136194-77-9

>  <URL> (574)
http://www.selleckchem.com/products/go6976.html

$$$$
WH-4-023.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (575)
575

>  <Formula> (575)
C32H36N6O4

>  <MolWeight> (575)
568.66604

>  <Cat> (575)
S7565

>  <Name> (575)
WH-4-023

>  <Synonyms> (575)
KIN001-112

>  <Target> (575)
Src

>  <Form> (575)
Free Base

>  <CAS> (575)
837422-57-8

>  <URL> (575)
http://www.selleckchem.com/products/wh-4-023.html

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (576)
576

>  <Formula> (576)
C19H17NO3

>  <MolWeight> (576)
307.34318

>  <Cat> (576)
S7310

>  <Name> (576)
SF1670 (PTEN inhibitor)

>  <Synonyms> (576)
N/A

>  <Target> (576)
PTEN

>  <Form> (576)
Free Base

>  <CAS> (576)
345630-40-2

>  <URL> (576)
http://www.selleckchem.com/products/sf1670.html

$$$$
IM-12.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (577)
577

>  <Formula> (577)
C22H20FN3O2

>  <MolWeight> (577)
377.4115032

>  <Cat> (577)
S7566

>  <Name> (577)
IM-12

>  <Synonyms> (577)
N/A

>  <Target> (577)
GSK-3

>  <Form> (577)
Free Base

>  <CAS> (577)
1129669-05-1

>  <URL> (577)
http://www.selleckchem.com/products/im-12.html

$$$$
NMS-P937.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (578)
578

>  <Formula> (578)
C24H27F3N8O3

>  <MolWeight> (578)
532.5181896

>  <Cat> (578)
S7255

>  <Name> (578)
NMS-P937 (NMS1286937)

>  <Synonyms> (578)
N/A

>  <Target> (578)
PLK

>  <Form> (578)
Free Base

>  <CAS> (578)
1034616-18-6

>  <URL> (578)
http://www.selleckchem.com/products/nms-p937-nms1286937.html

$$$$
GNE-9605.cdx
csChFnd80/08142011062D

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 30 27  1  0  0  0  0
M  END
>  <Mol_ID> (579)
579

>  <Formula> (579)
C17H20ClF4N7O

>  <MolWeight> (579)
449.8336128

>  <Cat> (579)
S7368

>  <Name> (579)
GNE-9605

>  <Synonyms> (579)
N/A

>  <Target> (579)
LRRK2

>  <Form> (579)
Free Base

>  <CAS> (579)
1536200-31-3

>  <URL> (579)
http://www.selleckchem.com/products/gne-9605.html

$$$$
filgotinib.cdx
csChFnd80/08142011062D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (580)
580

>  <Formula> (580)
C21H23N5O3S

>  <MolWeight> (580)
425.50402

>  <Cat> (580)
S7605

>  <Name> (580)
Filgotinib£¨GLPG0643)

>  <Synonyms> (580)
N/A

>  <Target> (580)
JAK

>  <Form> (580)
Free Base

>  <CAS> (580)
1206161-97-8

>  <URL> (580)
http://www.selleckchem.com/products/filgotinib.html

$$$$
Anacardic Acid.cdx
csChFnd80/08142011062D

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (581)
581

>  <Formula> (581)
C22H36O3

>  <MolWeight> (581)
348.51944

>  <Cat> (581)
S7582

>  <Name> (581)
Anacardic Acid

>  <Synonyms> (581)
6-pentadecylsalicylic Acid

>  <Target> (581)
Histone Acetyltransferase

>  <Form> (581)
Free Base

>  <CAS> (581)
16611-84-0

>  <URL> (581)
http://www.selleckchem.com/products/anacardic-acid.html

$$$$
GNF5837.cdx
csChFnd80/08142011062D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (582)
582

>  <Formula> (582)
C28H21F4N5O2

>  <MolWeight> (582)
535.4922528

>  <Cat> (582)
S7519

>  <Name> (582)
GNF-5837

>  <Synonyms> (582)
N/A

>  <Target> (582)
Trk receptor

>  <Form> (582)
Free Base

>  <CAS> (582)
1033769-28-6

>  <URL> (582)
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1062243-51-9

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http://www.selleckchem.com/products/ro3280.html

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I¦ÊB/IKK

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>  <CAS> (592)
196309-76-9

>  <URL> (592)
http://www.selleckchem.com/products/bay-11-7085.html

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JNK Inhibitor IX.cdx
csChFnd80/08142011062D

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JNK inhibitor IX

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TCS JNK 5a

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JNK

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Free Base

>  <CAS> (593)
312917-14-9

>  <URL> (593)
http://www.selleckchem.com/products/jnk-inhibitor-ix.html

$$$$
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521937-07-5

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1454846-35-5

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M  END
>  <Mol_ID> (599)
599

>  <Formula> (599)
C22H22O8

>  <MolWeight> (599)
414.40528

>  <Cat> (599)
S7668

>  <Name> (599)
Picropodophyllin (PPP)

>  <Synonyms> (599)
AXL1717

>  <Target> (599)
IGF-1R

>  <Form> (599)
Free Base

>  <CAS> (599)
477-47-4

>  <URL> (599)
http://www.selleckchem.com/products/picropodophyllin-ppp.html

$$$$
Reversine.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (600)
600

>  <Formula> (600)
C21H27N7O

>  <MolWeight> (600)
393.48538

>  <Cat> (600)
S7588

>  <Name> (600)
Reversine

>  <Synonyms> (600)
N/A

>  <Target> (600)
Adenosine Receptor

>  <Form> (600)
Free Base

>  <CAS> (600)
656820-32-5

>  <URL> (600)
http://www.selleckchem.com/products/reversine.html

$$$$
SU 9516.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (601)
601

>  <Formula> (601)
C13H11N3O2

>  <MolWeight> (601)
241.24534

>  <Cat> (601)
S7636

>  <Name> (601)
SU9516

>  <Synonyms> (601)
N/A

>  <Target> (601)
CDK

>  <Form> (601)
Free Base

>  <CAS> (601)
377090-84-1

>  <URL> (601)
http://www.selleckchem.com/products/su9516.html

$$$$
Piperlongumine.cdx
csChFnd80/08142011062D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (602)
602

>  <Formula> (602)
C17H19NO5

>  <MolWeight> (602)
317.33646

>  <Cat> (602)
S7551

>  <Name> (602)
Piperlongumine

>  <Synonyms> (602)
PPLGM

>  <Target> (602)
ROS,CRM

>  <Form> (602)
Free Base

>  <CAS> (602)
20069-09-4

>  <URL> (602)
http://www.selleckchem.com/products/piperlongumine.html

$$$$
AT13148.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (603)
603

>  <Formula> (603)
C17H16ClN3O

>  <MolWeight> (603)
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>  <Cat> (603)
S7563

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AT13148

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N/A

>  <Target> (603)
Akt

>  <Form> (603)
Free Base

>  <CAS> (603)
1056901-62-2

>  <URL> (603)
http://www.selleckchem.com/products/at13148.html

$$$$
PF-431396.cdx
csChFnd80/08142011062D

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FAK

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Free Base

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717906-29-1

>  <URL> (604)
http://www.selleckchem.com/products/pf-431396.html

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PND-1186 (VS-4718)

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SR-2156

>  <Target> (605)
FAK

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Free Base

>  <CAS> (605)
1061353-68-1

>  <URL> (605)
http://www.selleckchem.com/products/pnd-1186-vs-4718.html

$$$$
Defactinib.cdx
csChFnd80/08142011062D

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606

>  <Formula> (606)
C20H21F3N8O3S

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Defactinib (VS-6063, PF-04554878)

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VS-6063, PF-04554878

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FAK

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1073154-85-4

>  <URL> (606)
http://www.selleckchem.com/products/defactinib.html

$$$$
GSK2578215A.cdx
csChFnd80/08142011062D

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607

>  <Formula> (607)
C24H18FN3O2

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>  <Cat> (607)
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GSK2578215A

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>  <Target> (607)
LRRK2

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Free Base

>  <CAS> (607)
1285515-21-0

>  <URL> (607)
http://www.selleckchem.com/products/gsk2578215a.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/08142011062D

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NOV120101

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EGFR

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Free Base

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1092364-38-9

>  <URL> (608)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

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S6 Kinase

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Free Base

>  <CAS> (609)
1082949-67-4

>  <URL> (609)
http://www.selleckchem.com/products/ly2584702.html

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PI-3065.cdx
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610

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C27H31FN6OS

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506.6380432

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S7623

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PI-3065

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N/A

>  <Target> (610)
PI3K

>  <Form> (610)
Free Base

>  <CAS> (610)
955977-50-1

>  <URL> (610)
http://www.selleckchem.com/products/pi-3065.html

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (611)
611

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C24H28Cl2N2O4

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S7720

>  <Name> (611)
SBE 13 HCl

>  <Synonyms> (611)
N/A

>  <Target> (611)
PLK

>  <Form> (611)
Hydrochloride

>  <CAS> (611)
1052532-15-6

>  <URL> (611)
http://www.selleckchem.com/products/sbe-13-hcl.html

$$$$
Bikinin.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (617)
617

>  <Formula> (617)
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>  <Name> (617)
LY2584702 tosylate

>  <Synonyms> (617)
N/A

>  <Target> (617)
S6 Kinase

>  <Form> (617)
Free Base

>  <CAS> (617)
1082949-68-5

>  <URL> (617)
http://www.selleckchem.com/products/ly2584702-tosylate.html

$$$$
RN486.cdx
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>  <Mol_ID> (618)
618

>  <Formula> (618)
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>  <MolWeight> (618)
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>  <Cat> (618)
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>  <Name> (618)
RN486

>  <Synonyms> (618)
N/A

>  <Target> (618)
BTK

>  <Form> (618)
Free Base

>  <CAS> (618)
no

>  <URL> (618)
http://www.selleckchem.com/products/rn486.html

$$$$
Dovitinib Lactate.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (619)
619

>  <Formula> (619)
C24H27FN6O4

>  <MolWeight> (619)
482.5073832

>  <Cat> (619)
S7765

>  <Name> (619)
Dovitinib (TKI258) Lactate

>  <Synonyms> (619)
N/A

>  <Target> (619)
FLT3

>  <Form> (619)
Lactate

>  <CAS> (619)
915769-50-5

>  <URL> (619)
http://www.selleckchem.com/products/dovitinib-tki258-lactate.html

$$$$
BLZ945.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (624)
624

>  <Formula> (624)
C22H28ClN7O3S

>  <MolWeight> (624)
506.02082

>  <Cat> (624)
S7782

>  <Name> (624)
Dasatinib Monohydrate

>  <Synonyms> (624)
BMS-354825 Monohydrate

>  <Target> (624)
Src

>  <Form> (624)
Monohydrate

>  <CAS> (624)
863127-77-9

>  <URL> (624)
http://www.selleckchem.com/products/dasatinib-monohydrate.html

$$$$
LM-3572.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (625)
625

>  <Formula> (625)
C22H27FN4O2

>  <MolWeight> (625)
398.4737832

>  <Cat> (625)
S7781

>  <Name> (625)
Sunitinib

>  <Synonyms> (625)
SU11248

>  <Target> (625)
PDGFR

>  <Form> (625)
Free Base

>  <CAS> (625)
557795-19-4

>  <URL> (625)
http://www.selleckchem.com/products/sunitinib.html

$$$$
Erlotinib free Base.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (626)
626

>  <Formula> (626)
C22H23N3O4

>  <MolWeight> (626)
393.43572

>  <Cat> (626)
S7786

>  <Name> (626)
Erlotinib

>  <Synonyms> (626)
CP358774, NSC 718781

>  <Target> (626)
EGFR

>  <Form> (626)
Free Base

>  <CAS> (626)
183321-74-6

>  <URL> (626)
http://www.selleckchem.com/products/erlotinib.html

$$$$
CL-387785.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (627)
627

>  <Formula> (627)
C18H13BrN4O

>  <MolWeight> (627)
381.22602

>  <Cat> (627)
S7557

>  <Name> (627)
CL-387785 (EKI-785)

>  <Synonyms> (627)
N/A

>  <Target> (627)
EGFR

>  <Form> (627)
Free Base

>  <CAS> (627)
194423-06-8

>  <URL> (627)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (628)
628

>  <Formula> (628)
C24H30ClN7O2

>  <MolWeight> (628)
483.9937

>  <Cat> (628)
S1116

>  <Name> (628)
PD 0332991 (Palbociclib) HCl

>  <Synonyms> (628)
N/A

>  <Target> (628)
CDK

>  <Form> (628)
Hydrochloride

>  <CAS> (628)
827022-32-2, 571190-30-2 (free base)

>  <URL> (628)
http://www.selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (629)
629

>  <Formula> (629)
C26H35N7O6S

>  <MolWeight> (629)
573.6644

>  <Cat> (629)
S1579

>  <Name> (629)
PD 0332991 (Palbociclib) Isethionate

>  <Synonyms> (629)
N/A

>  <Target> (629)
CDK

>  <Form> (629)
Isethionate

>  <CAS> (629)
827022-33-3, 571190-30-2(free base)

>  <URL> (629)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
STF-083010.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (630)
630

>  <Formula> (630)
C15H11NO3S2

>  <MolWeight> (630)
317.38274

>  <Cat> (630)
S7771

>  <Name> (630)
STF-083010

>  <Synonyms> (630)
N/A

>  <Target> (630)
Others

>  <Form> (630)
Free Base

>  <CAS> (630)
307543-71-1

>  <URL> (630)
http://www.selleckchem.com/products/stf-083010.html

$$$$
FRAX597.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (631)
631

>  <Formula> (631)
C29H28ClN7OS

>  <MolWeight> (631)
558.09692

>  <Cat> (631)
S7271

>  <Name> (631)
FRAX597

>  <Synonyms> (631)
N/A

>  <Target> (631)
PAK

>  <Form> (631)
Free Base

>  <CAS> (631)
1286739-19-2

>  <URL> (631)
http://www.selleckchem.com/products/frax597.html

$$$$
Ro-3306.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (632)
632

>  <Formula> (632)
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>  <Cat> (632)
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Ro-3306

>  <Synonyms> (632)
N/A

>  <Target> (632)
CDK

>  <Form> (632)
Free Base

>  <CAS> (632)
872573-93-8

>  <URL> (632)
http://www.selleckchem.com/products/ro-3306.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (633)
633

>  <Formula> (633)
C32H33ClFN5O11

>  <MolWeight> (633)
718.0827232

>  <Cat> (633)
S7810

>  <Name> (633)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (633)
N/A

>  <Target> (633)
EGFR

>  <Form> (633)
Dimaleate

>  <CAS> (633)
850140-73-7

>  <URL> (633)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
LY2409881.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (634)
634

>  <Formula> (634)
C24H32Cl4N6OS

>  <MolWeight> (634)
594.42748

>  <Cat> (634)
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>  <Name> (634)
LY2409881

>  <Synonyms> (634)
N/A

>  <Target> (634)
I¦ÊB/IKK

>  <Form> (634)
Trihydrochloride

>  <CAS> (634)
946518-60-1

>  <URL> (634)
http://www.selleckchem.com/products/ly2409881.html

$$$$
Afuresertib £¨GSK2110183).cdx
csChFnd80/08142011062D

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>  <Mol_ID> (635)
635

>  <Formula> (635)
C18H17Cl2FN4OS

>  <MolWeight> (635)
427.3231832

>  <Cat> (635)
S7521

>  <Name> (635)
Afuresertib (GSK2110183)

>  <Synonyms> (635)
N/A

>  <Target> (635)
Akt

>  <Form> (635)
Free Base

>  <CAS> (635)
1047644-62-1

>  <URL> (635)
http://www.selleckchem.com/products/afuresertib-gsk2110183.html

$$$$
GNE-317.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (636)
636

>  <Formula> (636)
C19H22N6O3S

>  <MolWeight> (636)
414.48138

>  <Cat> (636)
S7798

>  <Name> (636)
GNE-317

>  <Synonyms> (636)
N/A

>  <Target> (636)
PI3K

>  <Form> (636)
Free Base

>  <CAS> (636)
1394076-92-6

>  <URL> (636)
http://www.selleckchem.com/products/gne-317.html

$$$$
LDN-214117.cdx
csChFnd80/08142011062D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 19  7  1  0  0  0  0
 17 20  1  0  0  0  0
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 11 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (637)
637

>  <Formula> (637)
C25H29N3O3

>  <MolWeight> (637)
419.51606

>  <Cat> (637)
S7627

>  <Name> (637)
LDN-214117

>  <Synonyms> (637)
N/A

>  <Target> (637)
TGF-beta/Smad

>  <Form> (637)
Free Base

>  <CAS> (637)
1627503-67-6

>  <URL> (637)
http://www.selleckchem.com/products/ldn-214117.html

$$$$
Purvalanol A.cdx
csChFnd80/08142011062D

 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
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    8.1019    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (638)
638

>  <Formula> (638)
C19H25ClN6O

>  <MolWeight> (638)
388.8944

>  <Cat> (638)
S7793

>  <Name> (638)
Purvalanol A

>  <Synonyms> (638)
N/A

>  <Target> (638)
CDK

>  <Form> (638)
Free Base

>  <CAS> (638)
212844-53-6

>  <URL> (638)
http://www.selleckchem.com/products/purvalanol-a.html

$$$$
AZD2932.cdx
csChFnd80/08142011062D

 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
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    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
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   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
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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
  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
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 16 17  2  0  0  0  0
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 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> (639)
639

>  <Formula> (639)
C24H25N5O4

>  <MolWeight> (639)
447.4864

>  <Cat> (639)
S7003

>  <Name> (639)
AZD2932

>  <Synonyms> (639)
N/A

>  <Target> (639)
PDGFR

>  <Form> (639)
Free Base

>  <CAS> (639)
883986-34-3

>  <URL> (639)
http://www.selleckchem.com/products/azd2932.html

$$$$
Anisomycin.cdx
csChFnd80/08142011062D

 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
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    8.2851    2.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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Anisomycin

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Flagecidin 

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JNK

>  <Form> (640)
Free Base

>  <CAS> (640)
22862-76-6

>  <URL> (640)
http://www.selleckchem.com/products/anisomycin.html

$$$$
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mTOR

>  <Form> (641)
Free Base

>  <CAS> (641)
326914-06-1

>  <URL> (641)
http://www.selleckchem.com/products/mhy1485.html

$$$$
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1435488-37-1

>  <URL> (642)
http://www.selleckchem.com/products/erk5-in-1.html

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330161-87-0

>  <URL> (643)
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>  <Mol_ID> (644)
644

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C23H18N4O3

>  <MolWeight> (644)
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D 4476

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N/A

>  <Target> (644)
Others

>  <Form> (644)
Free Base

>  <CAS> (644)
301836-43-1

>  <URL> (644)
http://www.selleckchem.com/products/d-4476.html

$$$$
XL147.cdx
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>  <Mol_ID> (645)
645

>  <Formula> (645)
C25H25ClN6O4S

>  <MolWeight> (645)
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>  <Cat> (645)
S7645

>  <Name> (645)
Pilaralisib (XL147)

>  <Synonyms> (645)
N/A

>  <Target> (645)
PI3K

>  <Form> (645)
Free Base

>  <CAS> (645)
934526-89-3

>  <URL> (645)
http://www.selleckchem.com/products/pilaralisib-xl147.html

$$$$
AT7519 HCl.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (646)
646

>  <Formula> (646)
C16H18Cl3N5O2

>  <MolWeight> (646)
418.70542

>  <Cat> (646)
S7808

>  <Name> (646)
AT7519 HCl

>  <Synonyms> (646)
N/A

>  <Target> (646)
CDK

>  <Form> (646)
Hydrochloride

>  <CAS> (646)
902135-91-5

>  <URL> (646)
http://www.selleckchem.com/products/at7519-hcl.html

$$$$
ARRY-614.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (647)
647

>  <Formula> (647)
C31H33FN6O3

>  <MolWeight> (647)
556.6305232

>  <Cat> (647)
S7799

>  <Name> (647)
Pexmetinib (ARRY-614)

>  <Synonyms> (647)
N/A

>  <Target> (647)
p38 MAPK

>  <Form> (647)
Free Base

>  <CAS> (647)
945614-12-0

>  <URL> (647)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

$$$$
LY3009120.cdx
csChFnd80/08142011062D

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1454682-72-4

>  <URL> (648)
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> (649)
http://www.selleckchem.com/products/hth-01-015.html

$$$$
PLX3397.cdx
csChFnd80/08142011062D

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CSF-1R

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Free Base

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1029044-16-3

>  <URL> (650)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

$$$$
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MEK

>  <Form> (651)
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>  <CAS> (651)
934660-93-2

>  <URL> (651)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
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csChFnd80/08142011062D

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>  <Mol_ID> (652)
652

>  <Formula> (652)
C21H22Cl2N4O2

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Ulixertinib (BVD-523, VRT752271)

>  <Synonyms> (652)
N/A

>  <Target> (652)
ERK

>  <Form> (652)
Free Base

>  <CAS> (652)
869886-67-9

>  <URL> (652)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
Dorsomorphin.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (653)
653

>  <Formula> (653)
C24H25N5O

>  <MolWeight> (653)
399.4882

>  <Cat> (653)
S7840

>  <Name> (653)
Dorsomorphin (Compound C)

>  <Synonyms> (653)
Compound C, BML-275

>  <Target> (653)
AMPK

>  <Form> (653)
Free Base

>  <CAS> (653)
866405-64-3

>  <URL> (653)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$

csChFnd80/08142011062D

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>  <Mol_ID> (654)
654

>  <Formula> (654)
C26H28N4O3

>  <MolWeight> (654)
444.52552

>  <Cat> (654)
S7921

>  <Name> (654)
DEL-22379

>  <Synonyms> (654)
N/A

>  <Target> (654)
ERK

>  <Form> (654)
Free Base

>  <CAS> (654)
181223-80-3

>  <URL> (654)
http://www.selleckchem.com/products/del-22379.html

$$$$
ASP015K.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (655)
655

>  <Formula> (655)
C18H22N4O2

>  <MolWeight> (655)
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>  <Cat> (655)
S7650

>  <Name> (655)
Peficitinib (ASP015K, JNJ-54781532)

>  <Synonyms> (655)
N/A

>  <Target> (655)
JAK

>  <Form> (655)
Free Base

>  <CAS> (655)
944118-01-8

>  <URL> (655)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
Entrectinib (RXDX-101, NMS-E628).cdx
csChFnd80/08142011062D

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Entrectinib (RXDX-101)

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NMS-E628

>  <Target> (656)
Trk receptor

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Free Base

>  <CAS> (656)
1108743-60-7

>  <URL> (656)
http://www.selleckchem.com/products/entrectinib-rxdx-101.html

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RO5126766 (CH5126766)

>  <Synonyms> (657)
N/A

>  <Target> (657)
Raf

>  <Form> (657)
Free Base

>  <CAS> (657)
946128-88-7

>  <URL> (657)
http://www.selleckchem.com/products/ro5126766-ch5126766.html

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ABC294640.cdx
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N/A

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S1P Receptor

>  <Form> (658)
Free Base

>  <CAS> (658)
915385-81-8

>  <URL> (658)
http://www.selleckchem.com/products/abc294640.html

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GSK621.cdx
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AMPK

>  <Form> (659)
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>  <CAS> (659)
1346607-05-3

>  <URL> (659)
http://www.selleckchem.com/products/gsk621.html

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DASA-58.cdx
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1203494-49-8

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http://www.selleckchem.com/products/dasa-58.html

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1633044-56-0

>  <URL> (661)
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>  <CAS> (662)
944842-54-0

>  <URL> (662)
http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
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EGFR

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1626387-80-1

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934493-76-2

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csChFnd80/08142011062D

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M  END
>  <Mol_ID> (668)
668

>  <Formula> (668)
C27H21F3N8O

>  <MolWeight> (668)
530.5038496

>  <Cat> (668)
S8134

>  <Name> (668)
Radotinib

>  <Synonyms> (668)
IY-5511

>  <Target> (668)
Bcr-Abl

>  <Form> (668)
Free Base

>  <CAS> (668)
926037-48-1

>  <URL> (668)
http://www.selleckchem.com/products/radotinib.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (669)
669

>  <Formula> (669)
C15H23ClFN3O4S

>  <MolWeight> (669)
395.8772232

>  <Cat> (669)
S7995

>  <Name> (669)
Ripasudil (K-115)

>  <Synonyms> (669)
N/A

>  <Target> (669)
ROCK

>  <Form> (669)
Hydrochloride dihydrate

>  <CAS> (669)
887375-67-9

>  <URL> (669)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
K03861.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (670)
670

>  <Formula> (670)
C24H26F3N7O2

>  <MolWeight> (670)
501.5041496

>  <Cat> (670)
S8100

>  <Name> (670)
K03861

>  <Synonyms> (670)
N/A

>  <Target> (670)
CDK

>  <Form> (670)
Free Base

>  <CAS> (670)
853299-07-7

>  <URL> (670)
http://www.selleckchem.com/products/k03861.html

$$$$
GNF-7.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (671)
671

>  <Formula> (671)
C28H24F3N7O2

>  <MolWeight> (671)
547.5310696

>  <Cat> (671)
S8140

>  <Name> (671)
GNF-7

>  <Synonyms> (671)
N/A

>  <Target> (671)
Bcr-Abl

>  <Form> (671)
Free Base

>  <CAS> (671)
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  1 20  1  0  0  0  0
M  END
>  <Mol_ID> (681)
681

>  <Formula> (681)
C16H11BrN2O

>  <MolWeight> (681)
327.17534

>  <Cat> (681)
S7917

>  <Name> (681)
Kenpaullone

>  <Synonyms> (681)
N/A

>  <Target> (681)
CDK

>  <Form> (681)
Free Base

>  <CAS> (681)
142273-20-9

>  <URL> (681)
http://www.selleckchem.com/products/kenpaullone.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/08142011062D

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 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (682)
682

>  <Formula> (682)
C19H27N5O6S

>  <MolWeight> (682)
453.51258

>  <Cat> (682)
S8195

>  <Name> (682)
Oclacitinib maleate

>  <Synonyms> (682)
PF-03394197

>  <Target> (682)
JAK

>  <Form> (682)
Free Base

>  <CAS> (682)
1640292-55-2

>  <URL> (682)
http://www.selleckchem.com/products/oclacitinib-maleate.html

$$$$
MLN2480.cdx
csChFnd80/08142011062D

 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
    1.2124    7.3435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (683)
683

>  <Formula> (683)
C17H12Cl2F3N7O2S

>  <MolWeight> (683)
506.2890896

>  <Cat> (683)
S7121

>  <Name> (683)
MLN2480

>  <Synonyms> (683)
BIIB-024

>  <Target> (683)
Raf

>  <Form> (683)
Free Base

>  <CAS> (683)
1096708-71-2

>  <URL> (683)
http://www.selleckchem.com/products/mln2480.html

$$$$
Acalabrutinib.cdx
csChFnd80/08142011062D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (684)
684

>  <Formula> (684)
C26H23N7O2

>  <MolWeight> (684)
465.50652

>  <Cat> (684)
S8116

>  <Name> (684)
Acalabrutinib (ACP-196)

>  <Synonyms> (684)
N/A

>  <Target> (684)
BTK

>  <Form> (684)
Free Base

>  <CAS> (684)
1420477-60-6

>  <URL> (684)
http://www.selleckchem.com/products/acalabrutinib.html

$$$$
PIK-III.cdx
csChFnd80/08142011062D

 24 27  0  0  0  0  0  0  0  0999 V2000
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A   35
xHCl
M  END
>  <Mol_ID> (693)
693

>  <Formula> (693)
C26H36N6O2R

>  <MolWeight> (693)
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>  <Cat> (693)
S7948

>  <Name> (693)
MRT67307 HCl

>  <Synonyms> (693)
N/A

>  <Target> (693)
I¦ÊB/IKK

>  <Form> (693)
hydrochloride

>  <CAS> (693)
1190378-57-4 (free-base)

>  <URL> (693)
http://www.selleckchem.com/products/mrt67307.html

$$$$
MRT67307.cdx
csChFnd80/08142011062D

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A   33
XHCl
M  END
>  <Mol_ID> (694)
694

>  <Formula> (694)
C25H34N6OR

>  <MolWeight> (694)
434.57706

>  <Cat> (694)
S7949

>  <Name> (694)
MRT68921 HCl

>  <Synonyms> (694)
N/A

>  <Target> (694)
Autophagy

>  <Form> (694)
hydrochloride

>  <CAS> (694)
1190379-70-4 (free base)

>  <URL> (694)
http://www.selleckchem.com/products/mrt68921.html

$$$$
BI-78D3.cdx
csChFnd80/08142011062D

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695

>  <Formula> (695)
C13H9N5O5S2

>  <MolWeight> (695)
379.37106

>  <Cat> (695)
S8201

>  <Name> (695)
BI-78D3

>  <Synonyms> (695)
N/A

>  <Target> (695)
JNK

>  <Form> (695)
Free Base

>  <CAS> (695)
883065-90-5

>  <URL> (695)
http://www.selleckchem.com/products/bi-78d3.html

$$$$
IC261.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (696)
696

>  <Formula> (696)
C18H17NO4

>  <MolWeight> (696)
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>  <Cat> (696)
S8237

>  <Name> (696)
IC261

>  <Synonyms> (696)
SU-5607

>  <Target> (696)
Casein Kinase

>  <Form> (696)
Free Base

>  <CAS> (696)
186611-52-9

>  <URL> (696)
http://www.selleckchem.com/products/ic261.html

$$$$
GSK481.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (697)
697

>  <Formula> (697)
C21H19N3O4

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GSK481

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N/A

>  <Target> (697)
TNF-alpha

>  <Form> (697)
Free Base

>  <CAS> (697)
1622849-58-4

>  <URL> (697)
http://www.selleckchem.com/products/gsk481.html

$$$$
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    4.4674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2787    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    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
   15.7617    2.8000    0.0000 N   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
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 26 29  2  0  0  0  0
  7 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34  7  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (702)
702

>  <Formula> (702)
C26H26N6O2S

>  <MolWeight> (702)
486.58864

>  <Cat> (702)
S8294

>  <Name> (702)
Olmutinib (HM61713, BI 1482694)

>  <Synonyms> (702)
BI 1482694, HM61713, HM71224

>  <Target> (702)
EGFR

>  <Form> (702)
Free Base

>  <CAS> (702)
1353550-13-6

>  <URL> (702)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
5-Iodotubercidin.cdx
csChFnd80/08142011062D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2566    6.3643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566    4.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    4.2618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831    4.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831    6.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    7.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137    4.5314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137    6.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    8.4642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442    0.9250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2989    0.9250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0137    1.7463    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1190    2.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    1.7463    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2989    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    2.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4444    8.1241    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  1  0  0  0
 12 16  1  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 13  1  0  0  0  0
 18 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (703)
703

>  <Formula> (703)
C11H13IN4O4

>  <MolWeight> (703)
392.14979

>  <Cat> (703)
S8314

>  <Name> (703)
5-Iodotubercidin

>  <Synonyms> (703)
NSC 113939, 5-ITu

>  <Target> (703)
Adenosine Receptor

>  <Form> (703)
Free Base

>  <CAS> (703)
24386-93-4

>  <URL> (703)
http://www.selleckchem.com/products/5-iodotubercidin.html

$$$$
S4690 Vitamin E.cdx
csChFnd80/08142011062D

 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
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   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> (704)
704

>  <Formula> (704)
C29H50O2

>  <MolWeight> (704)
430.7061

>  <Cat> (704)
S4686

>  <Name> (704)
Vitamin E

>  <Synonyms> (704)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (704)
COX,VEGFR

>  <Form> (704)
Free Base

>  <CAS> (704)
21590

>  <URL> (704)
http://www.selleckchem.com/products/vitamin-e.html

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/08142011062D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  1 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (705)
705

>  <Formula> (705)
C15H10O4

>  <MolWeight> (705)
254.2375

>  <Cat> (705)
S8319

>  <Name> (705)
7,8-Dihydroxyflavone

>  <Synonyms> (705)
7,8-DHF

>  <Target> (705)
Trk receptor

>  <Form> (705)
Free Base

>  <CAS> (705)
38183-03-8

>  <URL> (705)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

$$$$
MLR-1023.cdx
csChFnd80/08142011062D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (706)
706

>  <Formula> (706)
C11H10N2O2

>  <MolWeight> (706)
202.2093

>  <Cat> (706)
S8321

>  <Name> (706)
MLR-1023

>  <Synonyms> (706)
Tolimidone, CP-26154

>  <Target> (706)
Others

>  <Form> (706)
Free Base

>  <CAS> (706)
41964-07-2

>  <URL> (706)
http://www.selleckchem.com/products/mlr-1023.html

$$$$
LY3023414.cdx
csChFnd80/08142011062D

 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
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>  <Mol_ID> (707)
707

>  <Formula> (707)
C23H26N4O3

>  <MolWeight> (707)
406.47754

>  <Cat> (707)
S8322

>  <Name> (707)
LY3023414

>  <Synonyms> (707)
GTPL8918

>  <Target> (707)
Akt

>  <Form> (707)
Free Base

>  <CAS> (707)
1386874-06-1

>  <URL> (707)
http://www.selleckchem.com/products/ly3023414.html

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/08142011062D

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>  <Mol_ID> (708)
708

>  <Formula> (708)
C24H24FN7O

>  <MolWeight> (708)
445.4920632

>  <Cat> (708)
S8292

>  <Name> (708)
Selonsertib (GS-4997)

>  <Synonyms> (708)
N/A

>  <Target> (708)
Caspase

>  <Form> (708)
Free Base

>  <CAS> (708)
1448428-04-3

>  <URL> (708)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

$$$$
LY333531.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (709)
709

>  <Formula> (709)
C28H29ClN4O3

>  <MolWeight> (709)
505.00786

>  <Cat> (709)
S7663

>  <Name> (709)
LY333531 HCl

>  <Synonyms> (709)
Ruboxistaurin

>  <Target> (709)
PKC

>  <Form> (709)
hydrochloride

>  <CAS> (709)
169939-93-9

>  <URL> (709)
http://www.selleckchem.com/products/ly333531.html

$$$$
FRAX486.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (710)
710

>  <Formula> (710)
C25H23Cl2FN6O

>  <MolWeight> (710)
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>  <Cat> (710)
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>  <Name> (710)
FRAX486

>  <Synonyms> (710)
N/A

>  <Target> (710)
PAK

>  <Form> (710)
Free Base

>  <CAS> (710)
1232030-35-1

>  <URL> (710)
http://www.selleckchem.com/products/frax486.html

$$$$
VO-Ohpic.cdx
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>  <Mol_ID> (711)
711

>  <Formula> (711)
C12H15N2O11V

>  <MolWeight> (711)
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>  <Name> (711)
VO-Ohpic trihydrate

>  <Synonyms> (711)
N/A

>  <Target> (711)
Others

>  <Form> (711)
trihydrate

>  <CAS> (711)
476310-60-8

>  <URL> (711)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
EAI045.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (712)
712

>  <Formula> (712)
C19H14FN3O3S

>  <MolWeight> (712)
383.3961632

>  <Cat> (712)
S8242

>  <Name> (712)
EAI045

>  <Synonyms> (712)
N/A

>  <Target> (712)
EGFR

>  <Form> (712)
Free Base

>  <CAS> (712)
1942114-09-1

>  <URL> (712)
http://www.selleckchem.com/products/eai045.html

$$$$
Shikonin.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (713)
713

>  <Formula> (713)
C16H16O5

>  <MolWeight> (713)
288.29524

>  <Cat> (713)
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Shikonin

>  <Synonyms> (713)
N/A

>  <Target> (713)
Others

>  <Form> (713)
Free Base

>  <CAS> (713)
517-89-5

>  <URL> (713)
http://www.selleckchem.com/products/shikonin.html

$$$$
AZD8835.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (714)
714

>  <Formula> (714)
C22H31N9O3

>  <MolWeight> (714)
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>  <Cat> (714)
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>  <Name> (714)
AZD8835

>  <Synonyms> (714)
N/A

>  <Target> (714)
PI3K

>  <Form> (714)
Free Base

>  <CAS> (714)
1620576-64-8

>  <URL> (714)
http://www.selleckchem.com/products/azd8835.html

$$$$
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>  <Mol_ID> (715)
715

>  <Formula> (715)
C18H15N5O6S2

>  <MolWeight> (715)
461.4716

>  <Cat> (715)
S8251

>  <Name> (715)
Necrosulfonamide

>  <Synonyms> (715)
N/A

>  <Target> (715)
Others

>  <Form> (715)
Free Base

>  <CAS> (715)
1360614-48-7

>  <URL> (715)
http://www.selleckchem.com/products/necrosulfonamide.html

$$$$
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>  <Mol_ID> (716)
716

>  <Formula> (716)
C20H20Cl2N6O3

>  <MolWeight> (716)
463.3172

>  <Cat> (716)
S7006

>  <Name> (716)
BAY-61-3606

>  <Synonyms> (716)
N/A

>  <Target> (716)
Syk

>  <Form> (716)
dihydrochloride

>  <CAS> (716)
648903-57-5

>  <URL> (716)
http://www.selleckchem.com/products/bay-61-3606.html

$$$$
WNK463.cdx
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>  <Mol_ID> (717)
717

>  <Formula> (717)
C21H24F3N7O2

>  <MolWeight> (717)
463.4561696

>  <Cat> (717)
S8358

>  <Name> (717)
WNK463

>  <Synonyms> (717)
N/A

>  <Target> (717)
Others

>  <Form> (717)
Free Base

>  <CAS> (717)
2012607-27-9

>  <URL> (717)
http://www.selleckchem.com/products/wnk463.html

$$$$
LOXO-101.cdx
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>  <Mol_ID> (718)
718

>  <Formula> (718)
C21H24F2N6O6S

>  <MolWeight> (718)
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>  <Cat> (718)
S7960

>  <Name> (718)
LOXO-101(sulfate)

>  <Synonyms> (718)
N/A

>  <Target> (718)
Trk receptor

>  <Form> (718)
sulfate

>  <CAS> (718)
1223405-08-0

>  <URL> (718)
http://www.selleckchem.com/products/loxo-101.html

$$$$
APS-2-79.cdx
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1271022-90-2

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M  END
>  <Mol_ID> (723)
723

>  <Formula> (723)
C22H15F3N4O2

>  <MolWeight> (723)
424.3753096

>  <Cat> (723)
S8189

>  <Name> (723)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (723)
N/A

>  <Target> (723)
VEGFR

>  <Form> (723)
Free Base

>  <CAS> (723)
861875-60-7

>  <URL> (723)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (724)
724

>  <Formula> (724)
C19H20F2N4O4

>  <MolWeight> (724)
406.3833064

>  <Cat> (724)
S8125

>  <Name> (724)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (724)
N/A

>  <Target> (724)
p38 MAPK

>  <Form> (724)
Free Base

>  <CAS> (724)
449811-01-2

>  <URL> (724)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
OICR-9429.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (725)
725

>  <Formula> (725)
C29H32F3N5O3

>  <MolWeight> (725)
555.5912896

>  <Cat> (725)
S7833

>  <Name> (725)
OICR-9429

>  <Synonyms> (725)
N/A

>  <Target> (725)
Histone Methyltransferase

>  <Form> (725)
Free Base

>  <CAS> (725)
1801787-56-3

>  <URL> (725)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
BFH772.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (726)
726

>  <Formula> (726)
C23H16F3N3O3

>  <MolWeight> (726)
439.3866496

>  <Cat> (726)
S8188

>  <Name> (726)
BFH772

>  <Synonyms> (726)
BFH 772, BFH-772

>  <Target> (726)
VEGFR

>  <Form> (726)
Free Base

>  <CAS> (726)
890128-81-1

>  <URL> (726)
http://www.selleckchem.com/products/bfh772.html

$$$$
GSK269962.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (727)
727

>  <Formula> (727)
C29H31ClN8O5

>  <MolWeight> (727)
607.06004

>  <Cat> (727)
S7687

>  <Name> (727)
GSK269962 HCl

>  <Synonyms> (727)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (727)
ROCK

>  <Form> (727)
hydrochloride

>  <CAS> (727)
850664-21-0(free base)

>  <URL> (727)
http://www.selleckchem.com/products/gsk269962.html

$$$$
NT157.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (728)
728

>  <Formula> (728)
C16H14BrNO5S

>  <MolWeight> (728)
412.25506

>  <Cat> (728)
S8228

>  <Name> (728)
NT157

>  <Synonyms> (728)
N/A

>  <Target> (728)
IGF-1R

>  <Form> (728)
Free Base

>  <CAS> (728)
1384426-12-3

>  <URL> (728)
http://www.selleckchem.com/products/nt157.html

$$$$
RO9021.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (729)
729

>  <Formula> (729)
C18H25N7O

>  <MolWeight> (729)
355.4374

>  <Cat> (729)
S7286

>  <Name> (729)
RO9021

>  <Synonyms> (729)
N/A

>  <Target> (729)
Syk

>  <Form> (729)
Free Base

>  <CAS> (729)
1446790-62-0

>  <URL> (729)
http://www.selleckchem.com/products/ro9021.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/08142011062D

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>  <Mol_ID> (730)
730

>  <Formula> (730)
C26H24N8O2

>  <MolWeight> (730)
480.52116

>  <Cat> (730)
S8362

>  <Name> (730)
ARRY-380 (ONT-380)

>  <Synonyms> (730)
Tucatinib

>  <Target> (730)
HER2

>  <Form> (730)
Free Base

>  <CAS> (730)
937263-43-9

>  <URL> (730)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/08142011062D

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1206799-15-6

>  <URL> (731)
http://www.selleckchem.com/products/ly2801653-merestinib.html

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1382979-44-3

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http://www.selleckchem.com/products/gdc-0084.html

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110448-33-4

>  <URL> (733)
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1228013-15-7

>  <URL> (734)
http://www.selleckchem.com/products/cc-115.html

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ACK

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1345098-78-3

>  <URL> (736)
http://www.selleckchem.com/products/xmd16-5.html

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ACK

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1234480-46-6

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http://www.selleckchem.com/products/xmd8-87.html

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1346242-81-6

>  <URL> (738)
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>  <Formula> (739)
C16H18Cl2N4O

>  <MolWeight> (739)
353.24632

>  <Cat> (739)
S7935

>  <Name> (739)
Y-39983 HCl

>  <Synonyms> (739)
Y-33075 HCl

>  <Target> (739)
ROCK

>  <Form> (739)
dihydrochloride

>  <CAS> (739)
173897-44-4

>  <URL> (739)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (740)
740

>  <Formula> (740)
C21H20N2O3S

>  <MolWeight> (740)
380.4601

>  <Cat> (740)
S8448

>  <Name> (740)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (740)
N/A

>  <Target> (740)
ROCK

>  <Form> (740)
Free Base

>  <CAS> (740)
557782-81-7

>  <URL> (740)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
STO-609.cdx
csChFnd80/08142011062D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (741)
741

>  <Formula> (741)
C19H10N2O3

>  <MolWeight> (741)
314.2943

>  <Cat> (741)
S8274

>  <Name> (741)
STO-609

>  <Synonyms> (741)
N/A

>  <Target> (741)
CaMK

>  <Form> (741)
Free Base

>  <CAS> (741)
52029-86-4

>  <URL> (741)
http://www.selleckchem.com/products/sto-609.html

$$$$
NSC12.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (742)
742

>  <Formula> (742)
C24H34F6O3

>  <MolWeight> (742)
484.5153792

>  <Cat> (742)
S7940

>  <Name> (742)
NSC12

>  <Synonyms> (742)
NSC 172285

>  <Target> (742)
FGFR

>  <Form> (742)
Free Base

>  <CAS> (742)
102586-30-1

>  <URL> (742)
http://www.selleckchem.com/products/nsc12.html

$$$$
THZ1.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (743)
743

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C31H30Cl3N7O2

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638.9746

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S7549

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THZ1 2HCl

>  <Synonyms> (743)
N/A

>  <Target> (743)
CDK

>  <Form> (743)
dihydrochloride

>  <CAS> (743)
1604810-83-4(free base)

>  <URL> (743)
http://www.selleckchem.com/products/thz1.html

$$$$
GSK2269557.cdx
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>  <Mol_ID> (744)
744

>  <Formula> (744)
C26H28N6O

>  <MolWeight> (744)
440.54012

>  <Cat> (744)
S7937

>  <Name> (744)
GSK2269557

>  <Synonyms> (744)
Nemiralisib

>  <Target> (744)
PI3K

>  <Form> (744)
Free Base

>  <CAS> (744)
1254036-71-9

>  <URL> (744)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
S4740 Ferulic acid (sodium).cdx
csChFnd80/08142011062D

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>  <Mol_ID> (745)
745

>  <Formula> (745)
C10H9NaO4

>  <MolWeight> (745)
216.16583

>  <Cat> (745)
S4740

>  <Name> (745)
Sodium ferulate

>  <Synonyms> (745)
Ferulic acid sodium salt

>  <Target> (745)
Thrombin

>  <Form> (745)
Sodium salt

>  <CAS> (745)
24276-84-4

>  <URL> (745)
http://www.selleckchem.com/products/ferulic-acid-sodium.html

$$$$
S49076.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (746)
746

>  <Formula> (746)
C22H22N4O4S

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438.49948

>  <Cat> (746)
S8404

>  <Name> (746)
S49076

>  <Synonyms> (746)
N/A

>  <Target> (746)
c-Met  & FGFR

>  <Form> (746)
Free Base

>  <CAS> (746)
1265965-22-7

>  <URL> (746)
http://www.selleckchem.com/products/s49076.html

$$$$
GSK583.cdx
csChFnd80/08142011062D

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747

>  <Formula> (747)
C20H19FN4O2S

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>  <Cat> (747)
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GSK583

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>  <Target> (747)
NF-¦ÊB

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Free Base

>  <CAS> (747)
1346547-00-9

>  <URL> (747)
http://www.selleckchem.com/products/gsk583.html

$$$$
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M  END
>  <Mol_ID> (748)
748

>  <Formula> (748)
C27H25ClN6

>  <MolWeight> (748)
468.9806

>  <Cat> (748)
S8339

>  <Name> (748)
Miransertib (ARQ 092)HCl

>  <Synonyms> (748)
Miransertib

>  <Target> (748)
Akt

>  <Form> (748)
hydrochloride

>  <CAS> (748)
1313883-00-9

>  <URL> (748)
http://www.selleckchem.com/products/arq-092.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (749)
749

>  <Formula> (749)
C21H25N7O

>  <MolWeight> (749)
391.4695

>  <Cat> (749)
S8456

>  <Name> (749)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (749)
N/A

>  <Target> (749)
PI3K

>  <Form> (749)
Free Base

>  <CAS> (749)
1383716-46-8

>  <URL> (749)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
OTS514.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (750)
750

>  <Formula> (750)
C21H21ClN2O2S

>  <MolWeight> (750)
400.92164

>  <Cat> (750)
S7652

>  <Name> (750)
OTS514 hydrochloride

>  <Synonyms> (750)
N/A

>  <Target> (750)
TOPK

>  <Form> (750)
hydrochloride

>  <CAS> (750)
1338540-63-8(free base)

>  <URL> (750)
http://www.selleckchem.com/products/ots514.html

$$$$
SAR-020106.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (751)
751

>  <Formula> (751)
C19H19ClN6O

>  <MolWeight> (751)
382.84676

>  <Cat> (751)
S7740

>  <Name> (751)
SAR-020106

>  <Synonyms> (751)
N/A

>  <Target> (751)
Chk

>  <Form> (751)
Free Base

>  <CAS> (751)
1184843-57-9

>  <URL> (751)
http://www.selleckchem.com/products/sar-020106.html

$$$$
S8275-eFT-508.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (752)
752

>  <Formula> (752)
C17H20N6O2

>  <MolWeight> (752)
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>  <Cat> (752)
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>  <Name> (752)
eFT-508 (eFT508)

>  <Synonyms> (752)
N/A

>  <Target> (752)
MNK

>  <Form> (752)
Free Base

>  <CAS> (752)
1849590-01-7

>  <URL> (752)
http://www.selleckchem.com/products/eft-508.html

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (753)
753

>  <Formula> (753)
C14H17Cl2N5O4S

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422.28688

>  <Cat> (753)
S8457

>  <Name> (753)
UK-371804 HCl

>  <Synonyms> (753)
UK-371804 HCl

>  <Target> (753)
Serine Protease

>  <Form> (753)
hydrochloride

>  <CAS> (753)
256476-36-5

>  <URL> (753)
http://www.selleckchem.com/products/uk-371804-hcl.html

$$$$
S7743-CCT196969.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (754)
754

>  <Formula> (754)
C27H24FN7O3

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>  <Name> (754)
CCT196969

>  <Synonyms> (754)
N/A

>  <Target> (754)
Raf

>  <Form> (754)
Free Base

>  <CAS> (754)
1163719-56-9

>  <URL> (754)
http://www.selleckchem.com/products/cct196969.html

$$$$
LY2857785.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (755)
755

>  <Formula> (755)
C26H36N6O

>  <MolWeight> (755)
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>  <Cat> (755)
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>  <Name> (755)
LY2857785

>  <Synonyms> (755)
N/A

>  <Target> (755)
CDK

>  <Form> (755)
Free Base

>  <CAS> (755)
1619903-54-6

>  <URL> (755)
http://www.selleckchem.com/products/ly2857785.html

$$$$

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756

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SKLB4771 /FLT3-IN-1

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N/A

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FLT3

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Free Base

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1370256-78-2

>  <URL> (756)
http://www.selleck.cn/products/sklb4771-flt3-in1.html

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BAY 1217389.cdx
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757

>  <Formula> (757)
C27H24F5N5O3

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>  <Cat> (757)
S8215

>  <Name> (757)
BAY 1217389

>  <Synonyms> (757)
N/A

>  <Target> (757)
Kinesin

>  <Form> (757)
Free Base

>  <CAS> (757)
1554458-53-5

>  <URL> (757)
http://www.selleckchem.com/products/bay-1217389.html

$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/08142011062D

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>  <Mol_ID> (758)
758

>  <Formula> (758)
C30H42N8O3

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>  <Cat> (758)
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ASP8273 (Naquotinib)

>  <Synonyms> (758)
N/A

>  <Target> (758)
EGFR

>  <Form> (758)
Free Base

>  <CAS> (758)
1448232-80-1

>  <URL> (758)
http://www.selleckchem.com/products/naquotinib-asp8273.html

$$$$
LDC4297 (LDC044297).cdx
csChFnd80/08142011062D

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LDC4297 (LDC044297)

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N/A

>  <Target> (759)
CDK

>  <Form> (759)
Free Base

>  <CAS> (759)
1453834-21-3

>  <URL> (759)
http://www.selleckchem.com/products/ldc4297-ldc044297.html

$$$$
ONO-4059 (GS-4059).cdx
csChFnd80/08142011062D

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>  <Mol_ID> (760)
760

>  <Formula> (760)
C25H23ClN6O3

>  <MolWeight> (760)
490.94152

>  <Cat> (760)
S8166

>  <Name> (760)
ONO-4059 (GS-4059) hydrochloride

>  <Synonyms> (760)
N/A

>  <Target> (760)
BTK

>  <Form> (760)
hydrochloride

>  <CAS> (760)
1439901-97-9

>  <URL> (760)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/08142011062D

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>  <Mol_ID> (761)
761

>  <Formula> (761)
C19H15N3O2

>  <MolWeight> (761)
317.3413

>  <Cat> (761)
S7954

>  <Name> (761)
CP21R7 (CP21)

>  <Synonyms> (761)
N/A

>  <Target> (761)
Wnt/beta-catenin

>  <Form> (761)
Free Base

>  <CAS> (761)
125314-13-8

>  <URL> (761)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (762)
762

>  <Formula> (762)
C15H18O2

>  <MolWeight> (762)
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>  <Cat> (762)
S8291

>  <Name> (762)
Atractylenolide I

>  <Synonyms> (762)
N/A

>  <Target> (762)
Immunology & Inflammation related

>  <Form> (762)
Free Base

>  <CAS> (762)
73069-13-3
73069-13-3

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

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/08142011062D

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xH2O
M  END
>  <Mol_ID> (763)
763

>  <Formula> (763)
C14H18ClN3O3RS

>  <MolWeight> (763)
343.82902

>  <Cat> (763)
S8208

>  <Name> (763)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (763)
N/A

>  <Target> (763)
ROCK

>  <Form> (763)
hydrochloride

>  <CAS> (763)
155558-32-0 (HCl salt)

>  <URL> (763)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$

csChFnd80/08142011062D

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Aurora Kinase

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Free Base

>  <CAS> (764)
879127-16-9

>  <URL> (764)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

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>  <Target> (765)
FGFR

>  <Form> (765)
Free Base

>  <CAS> (765)
704869-38-5

>  <URL> (765)
http://www.selleckchem.com/products/sun11602.html

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1532533-67-7

>  <URL> (766)
http://www.selleckchem.com/products/tgr-1202.html

$$$$
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>  <Name> (767)
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>  <Synonyms> (767)
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EGFR

>  <Form> (767)
Free Base

>  <CAS> (767)
1508250-71-2

>  <URL> (767)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

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M  END
>  <Mol_ID> (768)
768

>  <Formula> (768)
C23H26Cl2N2O2S

>  <MolWeight> (768)
465.43574

>  <Cat> (768)
S7648

>  <Name> (768)
OTS964

>  <Synonyms> (768)
N/A

>  <Target> (768)
Others

>  <Form> (768)
dihydrochloride

>  <CAS> (768)
1338545-07-5(HCl salt)

>  <URL> (768)
http://www.selleckchem.com/products/ots964.html

$$$$
CC-930.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (769)
769

>  <Formula> (769)
C21H24ClF3N6O2

>  <MolWeight> (769)
484.9024696

>  <Cat> (769)
S8490

>  <Name> (769)
Tanzisertib(CC-930)

>  <Synonyms> (769)
JNK-930|JNKI-1

>  <Target> (769)
JNK

>  <Form> (769)
hydrochloride

>  <CAS> (769)
899805-25-5 (free base)

>  <URL> (769)
http://www.selleckchem.com/products/cc-930.html

$$$$
PD-166866.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (770)
770

>  <Formula> (770)
C20H24N6O3

>  <MolWeight> (770)
396.44296

>  <Cat> (770)
S8493

>  <Name> (770)
PD-166866

>  <Synonyms> (770)
N/A

>  <Target> (770)
FGFR

>  <Form> (770)
Free Base

>  <CAS> (770)
192705-79-6

>  <URL> (770)
http://www.selleckchem.com/products/pd-166866.html

$$$$
BLU-554.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (771)
771

>  <Formula> (771)
C24H24Cl2N4O4

>  <MolWeight> (771)
503.37776

>  <Cat> (771)
S8503

>  <Name> (771)
BLU-554

>  <Synonyms> (771)
N/A

>  <Target> (771)
FGFR

>  <Form> (771)
Free Base

>  <CAS> (771)
1707289-21-1

>  <URL> (771)
http://www.selleckchem.com/products/blu-554.html

$$$$
GSK180736A.cdx
csChFnd80/08142011062D

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http://www.selleckchem.com/products/gsk180736a.html

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FAK

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1224887-10-8

>  <URL> (773)
http://www.selleckchem.com/products/gsk2256098.html

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Syk

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hydrochloride salt

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1194961-19-7 (free base)

>  <URL> (774)
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DNA-PK

>  <Form> (776)
Free Base

>  <CAS> (776)
1943733-16-1

>  <URL> (776)
http://www.selleckchem.com/products/yu238259.html

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>  <Synonyms> (777)
N/A

>  <Target> (777)
PKD1,PKD3,PKD2

>  <Form> (777)
dihydrochloride 

>  <CAS> (777)
1883545-60-5

>  <URL> (777)
http://www.selleckchem.com/products/crt0066101.html

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>  <Mol_ID> (778)
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LTURM34

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N/A

>  <Target> (778)
DNA-PK

>  <Form> (778)
free base

>  <CAS> (778)
1879887-96-3

>  <URL> (778)
http://www.selleckchem.com/products/lturm34.html

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>  <Mol_ID> (779)
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>  <Formula> (779)
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>  <MolWeight> (779)
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AD80

>  <Synonyms> (779)
N/A

>  <Target> (779)
Raf,Src,S6 Kinase,RET V804M,RET V804L,RET wt

>  <Form> (779)
free base

>  <CAS> (779)
1384071-99-1

>  <URL> (779)
http://www.selleckchem.com/products/ad80.html

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>  <Formula> (780)
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>  <MolWeight> (780)
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>  <Cat> (780)
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>  <Name> (780)
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>  <Synonyms> (780)
N/A

>  <Target> (780)
Axl,c-Met,Tyro3,MER,Tyro3,VEGFR2

>  <Form> (780)
free base

>  <CAS> (780)
1437321-24-8

>  <URL> (780)
http://www.selleckchem.com/products/rxdx-106-cep-40783.html

$$$$
GDC-0326.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (781)
781

>  <Formula> (781)
C19H22N6O3

>  <MolWeight> (781)
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>  <Cat> (781)
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>  <Name> (781)
GDC-0326

>  <Synonyms> (781)
N/A

>  <Target> (781)
PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

>  <Form> (781)
free base

>  <CAS> (781)
1282514-88-8

>  <URL> (781)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

$$$$
Senexin A.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (782)
782

>  <Formula> (782)
C17H14N4

>  <MolWeight> (782)
274.31986

>  <Cat> (782)
S8520

>  <Name> (782)
Senexin A

>  <Synonyms> (782)
N/A

>  <Target> (782)
CDK19,CDK8

>  <Form> (782)
free base

>  <CAS> (782)
1366002-50-7

>  <URL> (782)
http://www.selleckchem.com/products/senexin-a.html

$$$$
MSC2530818.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (783)
783

>  <Formula> (783)
C18H17ClN4O

>  <MolWeight> (783)
340.80678

>  <Cat> (783)
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>  <Synonyms> (783)
N/A

>  <Target> (783)
CDK8

>  <Form> (783)
free base

>  <CAS> (783)
1883423-59-3

>  <URL> (783)
http://www.selleckchem.com/products/msc2530818.html

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/08142011062D

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784

>  <Formula> (784)
C33H29F2N5O4S

>  <MolWeight> (784)
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>  <Name> (784)
Sitravatinib (MGCD516)

>  <Synonyms> (784)
MG-516

>  <Target> (784)
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>  <Form> (784)
free base

>  <CAS> (784)
1123837-84-2

>  <URL> (784)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

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>  <Mol_ID> (785)
785

>  <Formula> (785)
C18H17NO5

>  <MolWeight> (785)
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>  <Cat> (785)
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>  <Name> (785)
3BDO

>  <Synonyms> (785)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (785)
FKBP1A

>  <Form> (785)
free base

>  <CAS> (785)
890405-51-3

>  <URL> (785)
http://www.selleckchem.com/products/3bdo.html

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TPX-0005.cdx
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>  <Mol_ID> (786)
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>  <Formula> (786)
C18H18FN5O2

>  <MolWeight> (786)
355.3662232

>  <Cat> (786)
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>  <Name> (786)
TPX-0005

>  <Synonyms> (786)
N/A

>  <Target> (786)
 ALK,ALK(L1196M),ALK(G1202R),Src 

>  <Form> (786)
free base

>  <CAS> (786)
no

>  <URL> (786)
http://www.selleckchem.com/products/tpx-0005.html

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>  <Mol_ID> (787)
787

>  <Formula> (787)
C20H19N5O3

>  <MolWeight> (787)
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>  <Cat> (787)
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>  <Name> (787)
GSK2982772

>  <Synonyms> (787)
N/A

>  <Target> (787)
human RIP1

>  <Form> (787)
free base

>  <CAS> (787)
1622848-92-3

>  <URL> (787)
http://www.selleckchem.com/products/gsk2982772.html

$$$$
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1174428-47-7

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PI3K¦Ã

>  <CAS> (790)
1693758-51-8

>  <URL> (790)
http://www.selleckchem.com/products/ipi-549.html

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C23H22ClN7O3

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TrkC,TrkB,TrkA

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free base

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1402438-74-7

>  <URL> (792)
http://www.selleckchem.com/products/pf-06273340.html

$$$$
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csChFnd80/08142011062D

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793

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C19H17N3O2S2

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GSK'872 (GSK2399872A)

>  <Synonyms> (793)
N/A

>  <Target> (793)
RIP3K

>  <Form> (793)
Free base

>  <CAS> (793)
1346546-69-7

>  <URL> (793)
http://www.selleckchem.com/products/GSK872-GSK2399872A.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/08142011062D

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794

>  <Formula> (794)
C19H17N5O3

>  <MolWeight> (794)
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S8581

>  <Name> (794)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Synonyms> (794)
N/A

>  <Target> (794)
PI3K¦Á 

>  <Form> (794)
Free base

>  <CAS> (794)
1268454-23-4

>  <URL> (794)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/08142011062D

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>  <Mol_ID> (795)
795

>  <Formula> (795)
C2HCl2NaO2

>  <MolWeight> (795)
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>  <Cat> (795)
S8615

>  <Name> (795)
Sodium dichloroacetate (DCA)

>  <Synonyms> (795)
bichloroacetic acid, BCA

>  <Target> (795)
PDK

>  <Form> (795)
sodium salt

>  <CAS> (795)
2156-56-1

>  <URL> (795)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/08142011062D

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796

>  <Formula> (796)
C33H44FN5O3

>  <MolWeight> (796)
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>  <Cat> (796)
S8511

>  <Name> (796)
Belizatinib (TSR-011)

>  <Synonyms> (796)
N/A

>  <Target> (796)
ALK,TRK

>  <Form> (796)
free base

>  <CAS> (796)
1357920-84-3

>  <URL> (796)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

$$$$
Autophinib.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (797)
797

>  <Formula> (797)
C14H11ClN6O3

>  <MolWeight> (797)
346.72854

>  <Cat> (797)
S8596

>  <Name> (797)
Autophinib

>  <Synonyms> (797)
N/A

>  <Target> (797)
autophagy

>  <Form> (797)
free base

>  <CAS> (797)
1644443-47-9

>  <URL> (797)
http://www.selleckchem.com/products/autophinib.html

$$$$
PRN1371.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (798)
798

>  <Formula> (798)
C26H30Cl2N6O4

>  <MolWeight> (798)
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>  <Cat> (798)
S8578

>  <Name> (798)
PRN1371

>  <Synonyms> (798)
N/A

>  <Target> (798)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (798)
free base

>  <CAS> (798)
1802929-43-6

>  <URL> (798)
http://www.selleckchem.com/products/prn1371.html

$$$$

csChFnd80/08142011062D

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>  <Mol_ID> (799)
799

>  <Formula> (799)
C22H25FN6O4S

>  <MolWeight> (799)
488.5351032

>  <Cat> (799)
S2002

>  <Name> (799)
CZC-25146

>  <Synonyms> (799)
N/A

>  <Target> (799)
LRRK2

>  <Form> (799)
Free Base

>  <CAS> (799)
1191911-26-8

>  <URL> (799)
http://www.selleck.cn/products/czc-25146.html

$$$$
Gilteritinib (ASP2215).cdx
csChFnd80/08142011062D

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Gilteritinib (ASP2215)

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N/A

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FLT3,Axl 

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free base

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1254053-43-4

>  <URL> (800)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

$$$$
NCT-503.cdx
csChFnd80/08142011062D

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NCT-503

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N/A

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PHGDH

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free base

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1916571-90-8

>  <URL> (801)
http://www.selleckchem.com/products/nct-503.html

$$$$
Azoramide.cdx
csChFnd80/08142011062D

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Azoramide

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N/A

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UPR

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free base

>  <CAS> (802)
932986-18-0

>  <URL> (802)
http://www.selleckchem.com/products/azoramide.html

$$$$
Chk2 Inhibitor II (BML-277).cdx
csChFnd80/08142011062D

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C20H14ClN3O2

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Chk2 Inhibitor II (BML-277)

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N/A

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Chk2

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free base

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516480-79-8

>  <URL> (803)
http://www.selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
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ERK1,ERK2

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free base

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1951483-29-6

>  <URL> (804)
http://www.selleckchem.com/products/ly3214996.html

$$$$
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M  END
>  <Mol_ID> (805)
805

>  <Formula> (805)
C19H16ClNO3

>  <MolWeight> (805)
341.78824

>  <Cat> (805)
S8335

>  <Name> (805)
PF-06409577

>  <Synonyms> (805)
N/A

>  <Target> (805)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (805)
free base

>  <CAS> (805)
1467057-23-3

>  <URL> (805)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (806)
806

>  <Formula> (806)
C18H19NO2S2

>  <MolWeight> (806)
345.47896

>  <Cat> (806)
S8616

>  <Name> (806)
PKM2 inhibitor(compound 3k)

>  <Synonyms> (806)
N/A

>  <Target> (806)
PKM2

>  <Form> (806)
free base

>  <CAS> (806)
94164-88-2

>  <URL> (806)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

$$$$
MKC-3946.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (807)
807

>  <Formula> (807)
C21H20N2O3S

>  <MolWeight> (807)
380.4601

>  <Cat> (807)
S8286

>  <Name> (807)
MKC-3946

>  <Synonyms> (807)
N/A

>  <Target> (807)
IRE1¦Á endoribonuclease

>  <Form> (807)
free base

>  <CAS> (807)
1093119-54-0

>  <URL> (807)
http://www.selleckchem.com/products/mkc-3946.html

$$$$
LYN-1604.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (808)
808

>  <Formula> (808)
C33H45Cl4N3O2

>  <MolWeight> (808)
657.5413

>  <Cat> (808)
S8597

>  <Name> (808)
LYN-1604

>  <Synonyms> (808)
N/A

>  <Target> (808)
ULK1

>  <Form> (808)
dihydrochloride

>  <CAS> (808)
2088939-99-3(free base)

>  <URL> (808)
http://www.selleckchem.com/products/lyn-1604.html

$$$$
FM-381.cdx
csChFnd80/08142011062D

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No

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free base

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1801343-74-7

>  <URL> (810)
http://www.selleckchem.com/products/ca-4948.html

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free base

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545-47-1

>  <URL> (811)
http://www.selleckchem.com/products/lupeol.html

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    8.7792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    3.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    2.4111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2522    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    7.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792    3.6235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 23  2  0  0  0  0
 18 24  2  0  0  0  0
M  END
>  <Mol_ID> (813)
813

>  <Formula> (813)
C18H18N4O2

>  <MolWeight> (813)
322.36112

>  <Cat> (813)
S8663

>  <Name> (813)
Takinib

>  <Synonyms> (813)
EDHS-206

>  <Target> (813)
TAK1,IRAK4,IRAK1

>  <Form> (813)
free base

>  <CAS> (813)
1111556-37-6

>  <URL> (813)
http://www.selleckchem.com/products/takinib.html

$$$$
IPI-3063.cdx
csChFnd80/08142011062D

 34 37  0  0  0  0  0  0  0  0999 V2000
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    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   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
    8.4870    4.2000    0.0000 N   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
    4.8497    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
  7 12  2  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  2  0  0  0  0
 16  7  1  0  0  0  0
 14 17  2  0  0  0  0
 13 18  1  0  0  0  0
  9 19  1  0  0  0  0
 11 20  2  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  6  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 27 32  1  0  0  0  0
 28 34  1  0  0  0  0
 32 33  3  0  0  0  0
M  END
>  <Mol_ID> (814)
814

>  <Formula> (814)
C25H25N7O2

>  <MolWeight> (814)
455.5117

>  <Cat> (814)
S7335

>  <Name> (814)
IPI-3063

>  <Synonyms> (814)
N/A

>  <Target> (814)
p110¦Ä

>  <Form> (814)
free base

>  <CAS> (814)
1425043-73-7

>  <URL> (814)
http://www.selleckchem.com/products/ipi-3063.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/08142011062D

 20 17  0  0  0  0  0  0  0  0999 V2000
    4.7611    3.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3521    3.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2131    5.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5731    2.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5143    2.5760    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0767    5.8608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5423    5.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921    1.2735    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    5.5489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7231    1.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4104    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2700    0.6897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3514    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    4.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    7.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5820    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6829    0.6064    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5646    6.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 14 16  1  0  0  0  0
  5 20  1  6  0  0  0
M  END
>  <Mol_ID> (815)
815

>  <Formula> (815)
C6H6Na3O9P

>  <MolWeight> (815)
322.049511

>  <Cat> (815)
S5115

>  <Name> (815)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (815)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (815)
Others

>  <Form> (815)
sodium salt

>  <CAS> (815)
66170-10-3

>  <URL> (815)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
PF-06651600.cdx
csChFnd80/08142011062D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.9000    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
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  5  6  2  0  0  0  0
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  1  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (816)
816

>  <Formula> (816)
C15H19N5O

>  <MolWeight> (816)
285.34426

>  <Cat> (816)
S8538

>  <Name> (816)
PF-06651600

>  <Synonyms> (816)
N/A

>  <Target> (816)
JAK3 

>  <Form> (816)
free base

>  <CAS> (816)
1792180-81-4

>  <URL> (816)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
2-D08.cdx
csChFnd80/08142011062D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (817)
817

>  <Formula> (817)
C15H10O5

>  <MolWeight> (817)
270.2369

>  <Cat> (817)
S8696

>  <Name> (817)
2-D08
2-D08

>  <Synonyms> (817)
2',3',4'-trihydroxy flavone

>  <Target> (817)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (817)
free base

>  <CAS> (817)
144707-18-6

>  <URL> (817)
http://selleckchem.com/products/2-d08.html

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/08142011062D

 40 45  0  0  0  0  0  0  0  0999 V2000
    0.0108    2.1093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7529    0.2477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5845    1.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7704    2.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2395    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3785    5.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9562    6.3488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5562    6.3596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (818)
818

>  <Formula> (818)
C26H23F4N9O

>  <MolWeight> (818)
553.5141328

>  <Cat> (818)
S7812

>  <Name> (818)
Itacitinib (INCB39110)

>  <Synonyms> (818)
N/A

>  <Target> (818)
JAK

>  <Form> (818)
free base

>  <CAS> (818)
1334298-90-6

>  <URL> (818)
http://selleckchem.com/produ-------------------cts/itacitinib-incb39110.html

$$$$
S5045 Nomilin.cdx
csChFnd80/08142011062D

 39 44  0  0  0  0  0  0  0  0999 V2000
    8.1413    4.3026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9215    3.6125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.3566    3.6125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1413    2.8930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7113    4.3269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9215    2.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5763    4.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3566    6.4072    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.1413    7.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5765    4.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (819)
819

>  <Formula> (819)
C28H34O9

>  <MolWeight> (819)
514.56416

>  <Cat> (819)
S5045

>  <Name> (819)
Nomilin

>  <Synonyms> (819)
N/A

>  <Target> (819)
Others

>  <Form> (819)
free base

>  <CAS> (819)
1063-77-0

>  <URL> (819)
http://selleckchem.com/products/nomilin.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/08142011062D

 34 35  0  0  0  0  0  0  0  0999 V2000
   16.9741    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.1330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    6.6330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.5330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.2330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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M  END
>  <Mol_ID> (820)
820

>  <Formula> (820)
C21H17ClF4N4O4

>  <MolWeight> (820)
500.8306928

>  <Cat> (820)
S5077

>  <Name> (820)
Regorafenib Monohydrate

>  <Synonyms> (820)
N/A

>  <Target> (820)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (820)
monohydrate

>  <CAS> (820)
1019206-88-2

>  <URL> (820)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
S5084 Carbazochrome.cdx
csChFnd80/08142011062D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    9.0402    4.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0361    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    3.8685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (821)
821

>  <Formula> (821)
C10H12N4O3

>  <MolWeight> (821)
236.22728

>  <Cat> (821)
S5084

>  <Name> (821)
Carbazochrome

>  <Synonyms> (821)
Adedolon, Adchnon, Adrenostazin, Cromadrenal, Adona, AC-17

>  <Target> (821)
Others

>  <Form> (821)
free base

>  <CAS> (821)
69-81-8

>  <URL> (821)
http://selleckchem.com/products/carbazochrome.html

$$$$
S5093 Rafoxanide.cdx
csChFnd80/08142011062D

 27 29  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (822)
822

>  <Formula> (822)
C19H11Cl2I2NO3

>  <MolWeight> (822)
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>  <Cat> (822)
S5093

>  <Name> (822)
Rafoxanide

>  <Synonyms> (822)
Disalan, Ranide, Flukanide, Bovanide

>  <Target> (822)
Anti-infection

>  <Form> (822)
free base

>  <CAS> (822)
22662-39-1

>  <URL> (822)
http://selleckchem.com/products/rafoxanide.html

$$$$
BGB-3111.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (823)
823

>  <Formula> (823)
C24H25N5O3

>  <MolWeight> (823)
431.487

>  <Cat> (823)
S8542

>  <Name> (823)
Btk inhibitor 2

>  <Synonyms> (823)
N/A

>  <Target> (823)
BTK

>  <Form> (823)
free base

>  <CAS> (823)
1558036-85-3

>  <URL> (823)
http://selleckchem.com/products/btk-inhibitor-2.html

$$$$
kira6.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (824)
824

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C28H25F3N6O

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518.5329096

>  <Cat> (824)
S8658

>  <Name> (824)
kira6

>  <Synonyms> (824)
N/A

>  <Target> (824)
Others

>  <CAS> (824)
1589527-65-0

>  <URL> (824)
http://selleckchem.com/products/kira6.html

$$$$
SNS-314.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (825)
825

>  <Formula> (825)
C18H15ClN6OS2

>  <MolWeight> (825)
430.9343

>  <Cat> (825)
S8699

>  <Name> (825)
SNS-314 Mesylate

>  <Synonyms> (825)
N/A

>  <Target> (825)
Aurora Kinase

>  <CAS> (825)
1057249-41-8

>  <URL> (825)
http://selleckchem.com/products/sns-314.html

$$$$
BMS-935177.cdx
csChFnd80/08142011062D

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>  <Target> (826)
BTK,Trk receptor,c-RET

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free base

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1231889-53-4

>  <URL> (826)
http://selleckchem.com/products/bms-935177.html

$$$$
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>  <Formula> (827)
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KPT-9274

>  <Synonyms> (827)
N/A

>  <Target> (827)
NAMPT,PAK

>  <Form> (827)
free base

>  <CAS> (827)
1643913-93-2

>  <URL> (827)
http://selleckchem.com/products/kpt-9274.html

$$$$
Asciminib(ABL001).cdx
csChFnd80/08142011062D

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828

>  <Formula> (828)
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>  <MolWeight> (828)
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>  <Cat> (828)
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>  <Name> (828)
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>  <Synonyms> (828)
N/A

>  <Target> (828)
Bcr-Abl

>  <Form> (828)
free base

>  <CAS> (828)
1492952-76-7

>  <URL> (828)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
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csChFnd80/08142011062D

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Tenalisib (RP6530)

>  <Synonyms> (829)
N/A

>  <Target> (829)
PI3K

>  <Form> (829)
free base

>  <CAS> (829)
1639417-53-0

>  <URL> (829)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
AS1517499.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (830)
830

>  <Formula> (830)
C20H20ClN5O2

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397.8581

>  <Cat> (830)
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AS1517499

>  <Synonyms> (830)
N/A

>  <Target> (830)
STAT

>  <Form> (830)
free base

>  <CAS> (830)
919486-40-1

>  <URL> (830)
http://selleckchem.com/products/as1517499.html

$$$$
RAF709.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (831)
831

>  <Formula> (831)
C28H29F3N4O4

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542.5494696

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S8690

>  <Name> (831)
RAF709

>  <Synonyms> (831)
N/A

>  <Target> (831)
Raf

>  <Form> (831)
free base

>  <CAS> (831)
1628838-42-5

>  <URL> (831)
http://selleckchem.com/products/raf709.html

$$$$
S5232 Alectinib hydrochloride.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (832)
832

>  <Formula> (832)
C30H35ClN4O2

>  <MolWeight> (832)
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>  <Cat> (832)
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>  <Name> (832)
Alectinib hydrochloride

>  <Synonyms> (832)
AF802 hydrochloride

>  <Target> (832)
ALK

>  <Form> (832)
hydrochloride 

>  <CAS> (832)
1256589-74-8

>  <URL> (832)
http://selleckchem.com/products/alectinib-hydrochloride.html

$$$$
S5060 Metadoxine.cdx
csChFnd80/08142011062D

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   13.9761    4.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7229    3.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6810    1.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (833)
833

>  <Formula> (833)
C13H18N2O6

>  <MolWeight> (833)
298.29182

>  <Cat> (833)
S5060

>  <Name> (833)
 Metadoxine

>  <Synonyms> (833)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (833)
Others

>  <Form> (833)
salt

>  <CAS> (833)
74536-44-0

>  <URL> (833)
http://selleckchem.com/products/metadoxine.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/08142011062D

 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
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4674    0.4911    0.0000 O   0  0  0  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> (834)
834

>  <Formula> (834)
C10H16N5O8P

>  <MolWeight> (834)
365.236501

>  <Cat> (834)
S5284

>  <Name> (834)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (834)
5'-Adenylic acid, 5'-AMP

>  <Target> (834)
AMPK

>  <Form> (834)
hydrate 

>  <CAS> (834)
18422-05-4

>  <URL> (834)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5321 Y15.cdx
csChFnd80/08142011062D

 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
  5  8  1  0  0  0  0
  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> (835)
835

>  <Formula> (835)
C6H14Cl4N4

>  <MolWeight> (835)
284.01416

>  <Cat> (835)
S5321

>  <Name> (835)
Y15

>  <Synonyms> (835)
1,2,4,5-Benzenetetraamine tetrahydrochloride

>  <Target> (835)
FAK

>  <Form> (835)
tetrahydrochloride 

>  <CAS> (835)
4506-66-5

>  <URL> (835)
http://selleckchem.com/products/y15.html

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/08142011062D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371    7.4831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1678    8.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    7.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8679    9.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312   11.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6521   10.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    9.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9496    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7726    9.5979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    2.8229    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    1.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1591    4.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  6  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (836)
836

>  <Formula> (836)
C17H21N6O4P

>  <MolWeight> (836)
404.360201

>  <Cat> (836)
S5243

>  <Name> (836)
Ruxolitinib Phosphate

>  <Synonyms> (836)
INCB018424, INC424

>  <Target> (836)
JAK

>  <Form> (836)
phosphate 

>  <CAS> (836)
1092939-17-7

>  <URL> (836)
http://selleckchem.com/products/ruxolitinib-phosphate.html

$$$$
S5313 SC66.cdx
csChFnd80/08142011062D

 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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    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 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
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
 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
M  END
>  <Mol_ID> (837)
837

>  <Formula> (837)
C18H16N2O

>  <MolWeight> (837)
276.33244

>  <Cat> (837)
S5313

>  <Name> (837)
SC66

>  <Synonyms> (837)
N/A

>  <Target> (837)
Akt

>  <Form> (837)
free base

>  <CAS> (837)
871361-88-5

>  <URL> (837)
http://selleckchem.com/products/sc66.html

$$$$
S5316 NU2058.cdx
csChFnd80/08142011062D

 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
    6.0543    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6325    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    2.5263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1918    1.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 17 15  1  0  0  0  0
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 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (838)
838

>  <Formula> (838)
C12H17N5O

>  <MolWeight> (838)
247.29628

>  <Cat> (838)
S5316

>  <Name> (838)
NU2058

>  <Synonyms> (838)
O(6)-Cyclohexylmethylguanine

>  <Target> (838)
CDK

>  <Form> (838)
free base

>  <CAS> (838)
161058-83-9

>  <URL> (838)
http://selleckchem.com/products/nu2058.html

$$$$
AZD1390.cdx
csChFnd80/08142011062D

 35 39  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (839)
839

>  <Formula> (839)
C27H32FN5O2

>  <MolWeight> (839)
477.5736832

>  <Cat> (839)
S8680

>  <Name> (839)
AZD1390

>  <Synonyms> (839)
N/A

>  <Target> (839)
ATM/ATR

>  <Form> (839)
free base

>  <CAS> (839)
2089288-03-7

>  <URL> (839)
http://selleckchem.com/products/azd1390.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (840)
840

>  <Formula> (840)
C22H25Cl2FN4O3

>  <MolWeight> (840)
483.3633032

>  <Cat> (840)
S5098

>  <Name> (840)
Gefitinib hydrochloride

>  <Synonyms> (840)
ZD1839 hydrochloride

>  <Target> (840)
EGFR

>  <Form> (840)
hydrochloride 

>  <CAS> (840)
184475-55-6

>  <URL> (840)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
GSK'963.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (841)
841

>  <Formula> (841)
C14H18N2O

>  <MolWeight> (841)
230.30552

>  <Cat> (841)
S8642

>  <Name> (841)
GSK'963

>  <Synonyms> (841)
N/A

>  <Target> (841)
NF-¦ÊB,TNF-alpha

>  <Form> (841)
free base

>  <CAS> (841)
2049868-46-2

>  <URL> (841)
http://selleckchem.com/products/gsk963.html

$$$$
bpV (HOpic).cdx
csChFnd80/08142011062D

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>  <Mol_ID> (842)
842

>  <Formula> (842)
C6H4K2NO8V

>  <MolWeight> (842)
347.23596

>  <Cat> (842)
S8651

>  <Name> (842)
bpV (HOpic)

>  <Synonyms> (842)
Bisperoxovanadium(HOpic)

>  <Target> (842)
PTEN

>  <Form> (842)
potassium 

>  <CAS> (842)
722494-26-0

>  <URL> (842)
http://selleckchem.com/products/bpv-hopic.html

$$$$
Anlotinib (AL3818).cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (843)
843

>  <Formula> (843)
C23H24Cl2FN3O3

>  <MolWeight> (843)
480.3593632

>  <Cat> (843)
S8726

>  <Name> (843)
Anlotinib (AL3818) dihydrochloride

>  <Synonyms> (843)
N/A

>  <Target> (843)
VEGFR

>  <Form> (843)
dihydrochloride 

>  <CAS> (843)
1360460-82-7

>  <URL> (843)
http://selleckchem.com/products/anlotinib-al3818.html

$$$$
DCC-2618.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (844)
844

>  <Formula> (844)
C26H21F2N5O3

>  <MolWeight> (844)
489.4734464

>  <Cat> (844)
S8721

>  <Name> (844)
DCC-2618

>  <Synonyms> (844)
N/A

>  <Target> (844)
c-Kit

>  <CAS> (844)
 1225278-16-9

>  <URL> (844)
http://selleckchem.com/products/dcc-2618.html

$$$$
FGF401.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (845)
845

>  <Formula> (845)
C25H30N8O4

>  <MolWeight> (845)
506.5569

>  <Cat> (845)
S8548

>  <Name> (845)
FGF401

>  <Synonyms> (845)
N/A

>  <Target> (845)
FGFR

>  <Form> (845)
free base

>  <CAS> (845)
1708971-55-4

>  <URL> (845)
http://selleckchem.com/products/fgf401.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (846)
846

>  <Formula> (846)
C21H28O2

>  <MolWeight> (846)
312.44582

>  <Cat> (846)
S3792

>  <Name> (846)
Guggulsterone E&Z

>  <Synonyms> (846)
N/A

>  <Target> (846)
FXR

>  <Form> (846)
free base

>  <CAS> (846)
95975-55-6

>  <URL> (846)
http://selleckchem.com/products/guggulsterone.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/08142011062D

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   10.2291    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5202    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8517    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8921    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6010    2.3062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2236    0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7938    3.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    3.4356    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    4.8356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5938    3.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    2.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  8  1  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 21 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 33 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
M  END
>  <Mol_ID> (847)
847

>  <Formula> (847)
C24H24F3N5O5S3

>  <MolWeight> (847)
615.6680696

>  <Cat> (847)
S5069

>  <Name> (847)
Dabrafenib Mesylate

>  <Synonyms> (847)
GSK2118436 Mesylate

>  <Target> (847)
Raf

>  <Form> (847)
mesylate

>  <CAS> (847)
1195768-06-9

>  <URL> (847)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/08142011062D

 46 49  0  0  0  0  0  0  0  0999 V2000
    7.3937    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8263    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8363    6.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4840    5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4941    6.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564    8.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    8.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1987    7.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    5.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    6.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6915    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1242    9.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4936    9.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    8.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9977    7.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9262   10.8811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2956   11.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6579   12.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2855   10.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6378   10.5446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6278    9.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9801    9.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3424   11.2693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3525   12.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0002   11.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6947   11.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9362   11.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4689    4.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6813    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2565    4.0011    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.9565    2.7886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5565    5.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0440    3.3011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 10  1  0  0  0  0
  2 13  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 15  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 22 27  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 37  1  0  0  0  0
 35 38  1  0  0  0  0
 31 32  1  0  0  0  0
 28 29  1  0  0  0  0
 28 39  1  0  0  0  0
 25 28  1  0  0  0  0
 21 22  1  0  0  0  0
 14 21  1  0  0  0  0
  3 14  2  0  0  0  0
 12 40  1  0  0  0  0
 41 42  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  2  0  0  0  0
 43 46  1  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <Mol_ID> (848)
848

>  <Formula> (848)
C33H39N5O7S

>  <MolWeight> (848)
649.75706

>  <Cat> (848)
S5234

>  <Name> (848)
Nintedanib Ethanesulfonate Salt

>  <Synonyms> (848)
Intedanib, BIBF 1120

>  <Target> (848)
VEGFR,FGFR,PDGFR

>  <Form> (848)
ethanesulfonate 

>  <CAS> (848)
656247-18-6

>  <URL> (848)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/08142011062D

 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> (849)
849

>  <Formula> (849)
C29H31FN4O7

>  <MolWeight> (849)
566.5774432

>  <Cat> (849)
S5242

>  <Name> (849)
Cediranib Maleate

>  <Synonyms> (849)
AZD-2171 maleate

>  <Target> (849)
VEGFR

>  <Form> (849)
maleate

>  <CAS> (849)
 857036-77-2

>  <URL> (849)
http://selleckchem.com/products/cediranib-maleate.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/08142011062D

 24 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (850)
850

>  <Formula> (850)
C22H42O2

>  <MolWeight> (850)
338.56768

>  <Cat> (850)
S5383

>  <Name> (850)
Erucic acid

>  <Synonyms> (850)
cis-13-docosenoic acid

>  <Target> (850)
Others

>  <Form> (850)
free base

>  <CAS> (850)
112-86-7

>  <URL> (850)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/08142011062D

  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> (851)
851

>  <Formula> (851)
C3H3BrO3

>  <MolWeight> (851)
166.95812

>  <Cat> (851)
S5426

>  <Name> (851)
Bromopyruvic acid

>  <Synonyms> (851)
3-Bromopyruvic acid, 3-Bromopyruvate

>  <Target> (851)
Others

>  <Form> (851)
free base

>  <CAS> (851)
1113-59-3

>  <URL> (851)
http://selleckchem.com/products/bromopyruvic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/08142011062D

 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> (852)
852

>  <Formula> (852)
C8H6BrN

>  <MolWeight> (852)
196.04394

>  <Cat> (852)
S5439

>  <Name> (852)
5-Bromoindole

>  <Synonyms> (852)
N/A

>  <Target> (852)
GSK-3

>  <Form> (852)
free base

>  <CAS> (852)
10075-50-0

>  <URL> (852)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/08142011062D

 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> (853)
853

>  <Formula> (853)
C11H12O4

>  <MolWeight> (853)
208.21058

>  <Cat> (853)
S5451

>  <Name> (853)
Ferulic acid methyl ester

>  <Synonyms> (853)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (853)
Immunology & Inflammation related

>  <Form> (853)
free base

>  <CAS> (853)
149567

>  <URL> (853)
http://selleckchem.com/products/ferulic-acid-methylester.html

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/08142011062D

 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> (854)
854

>  <Formula> (854)
C20H14ClNO4

>  <MolWeight> (854)
367.78246

>  <Cat> (854)
S5452

>  <Name> (854)
Sanguinarine chloride

>  <Synonyms> (854)
N/A

>  <Target> (854)
phosphatase

>  <Form> (854)
chloride 

>  <CAS> (854)
5578-73-4

>  <URL> (854)
http://selleckchem.com/products/sanguinarine-chloride.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/08142011062D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.2942    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2942    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    4.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7237    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    0.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9320    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    4.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4104    2.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    4.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8414    4.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (855)
855

>  <Formula> (855)
C20H20O4

>  <MolWeight> (855)
324.3704

>  <Cat> (855)
S5456

>  <Name> (855)
Isobavachalcone

>  <Synonyms> (855)
Corylifolinin

>  <Target> (855)
Anti-infection

>  <Form> (855)
free base

>  <CAS> (855)
20784-50-3

>  <URL> (855)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/08142011062D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 21 18  1  1  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 22  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  6  0  0  0
 26 29  1  0  0  0  0
 26 30  1  1  0  0  0
 27 31  1  1  0  0  0
 27 29  1  0  0  0  0
 29 32  1  6  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (856)
856

>  <Formula> (856)
C22H26O11

>  <MolWeight> (856)
466.43524

>  <Cat> (856)
S5457

>  <Name> (856)
Curculigoside

>  <Synonyms> (856)
Curculigoside A

>  <Target> (856)
Immunology & Inflammation related

>  <Form> (856)
free base

>  <CAS> (856)
85643-19-2

>  <URL> (856)
http://selleckchem.com/products/curculigoside.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/08142011062D

 44 47  0  0  0  0  0  0  0  0999 V2000
    7.2746    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (857)
857

>  <Formula> (857)
C29H36O15

>  <MolWeight> (857)
624.58714

>  <Cat> (857)
S5458

>  <Name> (857)
Verbascoside

>  <Synonyms> (857)
Acteoside, Kusaginin

>  <Target> (857)
Immunology & Inflammation related

>  <Form> (857)
free base

>  <CAS> (857)
61276-17-3

>  <URL> (857)
http://selleckchem.com/products/verbascoside.html

$$$$
S5464 Psoralidin.cdx
csChFnd80/08142011062D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  9  1  0  0  0  0
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M  END
>  <Mol_ID> (858)
858

>  <Formula> (858)
C20H16O5

>  <MolWeight> (858)
336.33804

>  <Cat> (858)
S5464

>  <Name> (858)
Psoralidin

>  <Synonyms> (858)
N/A

>  <Target> (858)
Estrogen/progestogen Receptor

>  <Form> (858)
free base

>  <CAS> (858)
18642-23-4

>  <URL> (858)
http://selleckchem.com/products/psoralidin.html

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/08142011062D

 42 46  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 27 22  1  0  0  0  0
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 32 28  1  1  0  0  0
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M  END
>  <Mol_ID> (859)
859

>  <Formula> (859)
C27H30O15

>  <MolWeight> (859)
594.5181

>  <Cat> (859)
S5468

>  <Name> (859)
Kaempferol-3-O-glucorhamnoside

>  <Synonyms> (859)
Kaempferol 3-neohesperidoside

>  <Target> (859)
Others

>  <Form> (859)
salt

>  <CAS> (859)
40437-72-7

>  <URL> (859)
http://selleckchem.com/products/kaempferol-3-o-glucorhamnoside.html

$$$$
S5529 Galangin.cdx
csChFnd80/08142011062D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6432    4.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    2.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    4.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (860)
860

>  <Formula> (860)
C15H10O5

>  <MolWeight> (860)
270.2369

>  <Cat> (860)
S5529

>  <Name> (860)
Galangin

>  <Synonyms> (860)
3,5,7-trihydroxyflavone; Norizalpinin

>  <Target> (860)
P450 (e.g. CYP17)

>  <Form> (860)
free base

>  <CAS> (860)
548-83-4

>  <URL> (860)
http://selleckchem.com/products/galangin.html

$$$$
S5534 Cinchocaine.cdx
csChFnd80/08142011062D

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    2.4247    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8613    2.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0020    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8613    0.7264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    6.3222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6234    7.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6234    8.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8351    9.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9245    2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  5 10  2  0  0  0  0
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  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
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M  END
>  <Mol_ID> (861)
861

>  <Formula> (861)
C20H29N3O2

>  <MolWeight> (861)
343.46316

>  <Cat> (861)
S5534

>  <Name> (861)
Cinchocaine

>  <Synonyms> (861)
Dibucaine

>  <Target> (861)
Others

>  <Form> (861)
free base

>  <CAS> (861)
85-79-0

>  <URL> (861)
http://selleckchem.com/products/cinchocaine.html

$$$$
S5588 Creatine.cdx
csChFnd80/08142011062D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (862)
862

>  <Formula> (862)
C4H9N3O2

>  <MolWeight> (862)
131.13316

>  <Cat> (862)
S5588

>  <Name> (862)
Creatine

>  <Synonyms> (862)
Methylguanidoacetic acid

>  <Target> (862)
Others

>  <Form> (862)
free base

>  <CAS> (862)
57-00-1

>  <URL> (862)
http://selleckchem.com/products/creatine.html

$$$$
UM-164.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (863)
863

>  <Formula> (863)
C30H31F3N8O3S

>  <MolWeight> (863)
640.6791496

>  <Cat> (863)
S8706

>  <Name> (863)
UM-164

>  <Synonyms> (863)
N/A

>  <Target> (863)
Src,p38 MAPK

>  <Form> (863)
free base

>  <CAS> (863)
903564-48-7

>  <URL> (863)
http://selleckchem.com/products/um-164.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/08142011062D

 40 43  0  0  0  0  0  0  0  0999 V2000
   12.1246    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6996    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (864)
864

>  <Formula> (864)
C28H23ClF3N7O

>  <MolWeight> (864)
565.9767296

>  <Cat> (864)
S5205

>  <Name> (864)
Nilotinib hydrochloride

>  <Synonyms> (864)
AMN-107 HCl

>  <Target> (864)
Bcr-Abl

>  <Form> (864)
hydrochloride 

>  <CAS> (864)
923288-95-3

>  <URL> (864)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/08142011062D

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865

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522.95862

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S5240

>  <Name> (865)
lenvatinib Mesylate

>  <Synonyms> (865)
N/A

>  <Target> (865)
VEGFR

>  <Form> (865)
Mesylate

>  <CAS> (865)
 857890-39-2

>  <URL> (865)
http://selleckchem.com/products/lenvatinib-mesylate.html

$$$$
S5265 TBB.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (866)
866

>  <Formula> (866)
C6HBr4N3

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S5265

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TBB

>  <Synonyms> (866)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (866)
Casein Kinase

>  <CAS> (866)
17374-26-4

>  <URL> (866)
http://selleckchem.com/products/tbb.html

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (867)
867

>  <Formula> (867)
C22H28FN4O6P

>  <MolWeight> (867)
494.4530842

>  <Cat> (867)
S5272

>  <Name> (867)
Toceranib phosphate

>  <Synonyms> (867)
SU11654

>  <Target> (867)
PDGFR¦Â

>  <Form> (867)
phosphate 

>  <CAS> (867)
874819-74-6

>  <URL> (867)
http://selleckchem.com/products/.html

$$$$
ARQ 531.cdx
csChFnd80/08142011062D

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868

>  <Formula> (868)
C25H23ClN4O4

>  <MolWeight> (868)
478.92752

>  <Cat> (868)
S8711

>  <Name> (868)
ARQ 531

>  <Synonyms> (868)
N/A

>  <Target> (868)
BTK

>  <Form> (868)
free base

>  <CAS> (868)
2095393-15-8

>  <URL> (868)
http://selleckchem.com/products/.html

$$$$
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csChFnd80/08142011062D

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    4.8413    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    8.3927    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
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  4  7  1  0  0  0  0
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 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
  6 16  1  0  0  0  0
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 16 21  1  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
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 14 15  3  0  0  0  0
 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (869)
869

>  <Formula> (869)
C16H16F3N7O

>  <MolWeight> (869)
379.3397496

>  <Cat> (869)
S8253

>  <Name> (869)
CCT245737 

>  <Synonyms> (869)
N/A

>  <Target> (869)
Chk

>  <Form> (869)
free base

>  <CAS> (869)
1489389-18-5

>  <URL> (869)
http://www.selleckchem.com/products/cct245737.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/08142011062D

 41 45  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    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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    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    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
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9943    8.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7324    5.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3019    3.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6942    3.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5171    4.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9477    6.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5553    6.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  1  7  1  0  0  0  0
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  5  9  1  0  0  0  0
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 13 14  2  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
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 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 21 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
  8 12  1  0  0  0  0
 12 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
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 37  8  1  0  0  0  0
  7 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
M  END
>  <Mol_ID> (870)
870

>  <Formula> (870)
C30H34N8O3

>  <MolWeight> (870)
554.64276

>  <Cat> (870)
S8724

>  <Name> (870)
Lazertinib (YH25448,GNS-1480)

>  <Form> (870)
free base

>  <CAS> (870)
1903008-80-9

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/08142011062D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6481    3.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    4.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6482    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8605    4.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0729    3.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8605    5.5826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0077    1.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4888    3.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  9  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (871)
871

>  <Formula> (871)
C9H10O5

>  <MolWeight> (871)
198.1727

>  <Cat> (871)
S5550

>  <Name> (871)
Ethyl gallate

>  <Synonyms> (871)
N/A

>  <Target> (871)
NF-¦ÊB

>  <CAS> (871)
831-61-8

>  <URL> (871)
http://selleckchem.com/products/.html

$$$$
S9361 Coumarin-3-carboxylic acid.cdx
csChFnd80/08142011062D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4354    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4302    0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    2.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    0.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    0.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0046    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595    2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0519    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0595    4.1796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
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  8 10  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (872)
872

>  <Formula> (872)
C10H6O4

>  <MolWeight> (872)
190.15224

>  <Cat> (872)
S9361

>  <Name> (872)
Coumarin-3-carboxylic acid

>  <Form> (872)
free base

>  <CAS> (872)
531-81-7

$$$$
S9366 5'-Adenylic acid.cdx
csChFnd80/08142011062D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.8569    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5248    2.4646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0904    1.1338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9118    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6905    1.1359    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8660    0.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2597    2.4679    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3936    3.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9288    2.9024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6636    2.9057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5018    6.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6017    2.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6092    0.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
>  <Mol_ID> (873)
873

>  <Formula> (873)
C10H14N5O7P

>  <MolWeight> (873)
347.221221

>  <Cat> (873)
S9366

>  <Name> (873)
5'-Adenylic acid

>  <Form> (873)
free base

>  <CAS> (873)
61-19-8

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/08142011062D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (874)
874

>  <Formula> (874)
C8H8O3

>  <MolWeight> (874)
152.14732

>  <Cat> (874)
S9374

>  <Name> (874)
2',5'-Dihydroxyacetophenone

>  <CAS> (874)
490-78-8

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/08142011062D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4329    2.0759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6508    2.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2146    2.7692    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4329    0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    4.1553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (875)
875

>  <Formula> (875)
C15H24N2O2

>  <MolWeight> (875)
264.36326

>  <Cat> (875)
S9384

>  <Name> (875)
Sophocarpine Monohydrate

>  <Form> (875)
free base

>  <CAS> (875)
 145572-44-7

$$$$
S9393 (4S)-4-Hydroxy-L-isoleucine.cdx
csChFnd80/08142011062D

 10  9  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (876)
876

>  <Formula> (876)
C6H13NO3

>  <MolWeight> (876)
147.17232

>  <Cat> (876)
S9393

>  <Name> (876)
(4S)-4-Hydroxy-L-isoleucine

>  <Form> (876)
free base

>  <CAS> (876)
55399-93-4

$$$$
S9406 Sauchinone.cdx
csChFnd80/08142011062D

 29 34  0  0  0  0  0  0  0  0999 V2000
    8.3135    6.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5221    5.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  6  1  0  0  0  0
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M  END
>  <Mol_ID> (877)
877

>  <Formula> (877)
C20H20O6

>  <MolWeight> (877)
356.3692

>  <Cat> (877)
S9406

>  <Name> (877)
Sauchinone

>  <CAS> (877)
177931-17-8

$$$$
S9414 Cyasterone.cdx
csChFnd80/08142011062D

 40 44  0  0  0  0  0  0  0  0999 V2000
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    6.1113    3.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    5.5776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.1113    2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6231    6.0456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1113    6.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    6.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4670    4.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (878)
878

>  <Formula> (878)
C29H44O8

>  <MolWeight> (878)
520.65486

>  <Cat> (878)
S9414

>  <Name> (878)
Cyasterone

>  <Form> (878)
free base

>  <CAS> (878)
17086-76-9

$$$$

csChFnd80/08142011062D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (879)
879

>  <Formula> (879)
C6H6Br6

>  <MolWeight> (879)
557.53584

>  <Cat> (879)
S5902

>  <Name> (879)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (879)
NSC7908

>  <Target> (879)
JAK

>  <Form> (879)
Free Base

>  <CAS> (879)
1837-91-8

>  <URL> (879)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/08142011062D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  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> (880)
880

>  <Formula> (880)
C16H15N3O3

>  <MolWeight> (880)
297.3086

>  <Cat> (880)
S5903

>  <Name> (880)
JANEX-1

>  <Synonyms> (880)
WHI-P131

>  <Target> (880)
JAK

>  <Form> (880)
Free Base

>  <CAS> (880)
202475-60-3

>  <URL> (880)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/08142011062D

 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
    8.5104    6.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    4.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7299    4.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    4.2130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    2.1182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    2.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    2.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0456    2.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9368    4.1992    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.5104    8.3968    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.9361    6.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (881)
881

>  <Formula> (881)
C16H13Br2N3O3

>  <MolWeight> (881)
455.10072

>  <Cat> (881)
S5904

>  <Name> (881)
WHI-P97

>  <Synonyms> (881)
N/A

>  <Target> (881)
JAK

>  <Form> (881)
Free Base

>  <CAS> (881)
211555-05-4

>  <URL> (881)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/08142011062D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    8.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    5.3407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5456    3.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3331    3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1206    3.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7579    3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7579    1.8407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9704    3.9407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3327    5.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6850    4.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3227    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0473    6.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0373    4.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
  7 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 27  1  0  0  0  0
 22 24  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 19 22  1  0  0  0  0
 11 16  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (882)
882

>  <Formula> (882)
C22H23N5O2

>  <MolWeight> (882)
389.45032

>  <Cat> (882)
S5917

>  <Name> (882)
Solcitinib

>  <Synonyms> (882)
GLPG0778, GSK2586184

>  <Target> (882)
JAK

>  <Form> (882)
Free Base

>  <CAS> (882)
1206163-45-2

>  <URL> (882)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/08142011062D

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.1249    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2752    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4927    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0553    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9176    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9798    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1922    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    1.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 11 14  1  0  0  0  0
  7  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2 22  1  0  0  0  0
M  END
>  <Mol_ID> (883)
883

>  <Formula> (883)
C19H33NO2

>  <MolWeight> (883)
307.47082

>  <Cat> (883)
S5950

>  <Name> (883)
Fingolimod

>  <Form> (883)
Free Base

>  <CAS> (883)
162359-55-9

$$$$

csChFnd80/08142011062D

 38 43  0  0  0  0  0  0  0  0999 V2000
    2.6082    5.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8207    3.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0331    4.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0331    5.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8207    6.5040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2413    3.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2413    2.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4538    1.6064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6879    2.8953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7625    4.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7511    1.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4511    0.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9669    2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8573    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  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
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
  7 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  7  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  2  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 31  1  0  0  0  0
 36 38  1  6  0  0  0
M  END
>  <Mol_ID> (884)
884

>  <Formula> (884)
C25H21F3N6O3S

>  <MolWeight> (884)
542.5328496

>  <Cat> (884)
S7965

>  <Name> (884)
PLX8394

>  <Synonyms> (884)
N/A

>  <Target> (884)
Raf

>  <Form> (884)
Free Base

>  <CAS> (884)
1393466-87-9

>  <URL> (884)
http://www.selleckchem.com/products/plx8394.html

$$$$

csChFnd80/08142011062D

 23 26  0  0  0  0  0  0  0  0999 V2000
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    6.6142    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8266    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8266    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6142    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0703    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2474    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2683    4.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    3.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8356    5.4867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4018    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4018    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    1.7454    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  1  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 12  1  0  0  0  0
M  END
>  <Mol_ID> (885)
885

>  <Formula> (885)
C16H20BrN5O

>  <MolWeight> (885)
378.2669

>  <Cat> (885)
S8526

>  <Name> (885)
GDC-0575 (ARRY-575, RG7741)

>  <Synonyms> (885)
N/A

>  <Target> (885)
Chk

>  <Form> (885)
Free Base

>  <CAS> (885)
1196541-47-5

>  <URL> (885)
http://www.selleckchem.com/products/gdc-0575.html

$$$$

csChFnd80/08142011062D

 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
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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    0.7000    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
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 N   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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    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  1  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 23  1  0  0  0  0
 23 17  1  0  0  0  0
 11 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 11  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (886)
886

>  <Formula> (886)
C24H28N4O3

>  <MolWeight> (886)
420.50412

>  <Cat> (886)
S8556

>  <Name> (886)
AZ31

>  <Synonyms> (886)
N/A

>  <Target> (886)
ATM/ATR

>  <Form> (886)
Free Base

>  <CAS> (886)
2088113-98-6

>  <URL> (886)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/08142011062D

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
  3 11  1  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
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 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 21  1  0  0  0  0
 12 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
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 32 33  2  0  0  0  0
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 30 34  1  0  0  0  0
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M  END
>  <Mol_ID> (887)
887

>  <Formula> (887)
C23H14ClF3N6O

>  <MolWeight> (887)
482.8450696

>  <Cat> (887)
S8560

>  <Name> (887)
Seletalisib (UCB-5857)

>  <Synonyms> (887)
N/A

>  <Target> (887)
PI3K

>  <Form> (887)
Free Base

>  <CAS> (887)
1362850-20-1

>  <URL> (887)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/08142011062D

 35 39  0  0  0  0  0  0  0  0999 V2000
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  4 10  1  0  0  0  0
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 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
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 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 14  1  0  0  0  0
 17 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 18  1  0  0  0  0
 19 25  1  1  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 30 31  1  0  0  0  0
  9 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (888)
888

>  <Formula> (888)
C29H29FN4O

>  <MolWeight> (888)
468.5651632

>  <Cat> (888)
S8609

>  <Name> (888)
Derazantinib(ARQ-087)

>  <Synonyms> (888)
N/A

>  <Target> (888)
FGFR

>  <Form> (888)
Free Base

>  <CAS> (888)
1234356-69-4

>  <URL> (888)
http://www.selleckchem.com/products/derazantinib.html

$$$$

csChFnd80/08142011062D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    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> (889)
889

>  <Formula> (889)
C13H12ClN3O2

>  <MolWeight> (889)
277.70628

>  <Cat> (889)
S8641

>  <Name> (889)
Nec-1s (7-Cl-O-Nec1)

>  <Synonyms> (889)
Necrostatin-1 stable

>  <Target> (889)
TNF-alpha

>  <Form> (889)
Free Base

>  <CAS> (889)
852391-15-2

>  <URL> (889)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/08142011062D

 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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    7.0041    2.8000    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> (890)
890

>  <Formula> (890)
C24H18ClN3O3

>  <MolWeight> (890)
431.87102

>  <Cat> (890)
S8654

>  <Name> (890)
ex229 (compound 991)

>  <Synonyms> (890)
N/A

>  <Target> (890)
AMPK

>  <Form> (890)
Free Base

>  <CAS> (890)
1219739-36-2

>  <URL> (890)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/08142011062D

 35 39  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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    6.2085   10.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4932   10.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2397    8.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0226    9.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0146    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3461    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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> (891)
891

>  <Formula> (891)
C24H23FN8O2

>  <MolWeight> (891)
474.4902232

>  <Cat> (891)
S8679

>  <Name> (891)
BTK inhibitor 1 (Compound 27)

>  <Synonyms> (891)
N/A

>  <Target> (891)
BTK

>  <Form> (891)
Free Base

>  <CAS> (891)
2230724-66-8

>  <URL> (891)
http://www.selleckchem.com/products/btk-inhibitor-1-compound27.html

$$$$

csChFnd80/08142011062D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.7374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8374    5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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> (892)
892

>  <Formula> (892)
C14H11ClN4S2

>  <MolWeight> (892)
334.84694

>  <Cat> (892)
S8700

>  <Name> (892)
TP0427736 HCl

>  <Synonyms> (892)
N/A

>  <Target> (892)
ALK

>  <Form> (892)
hydrochloride

>  <CAS> (892)
864374-00-5

>  <URL> (892)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/08142011062D

 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
    4.8974    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6849    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6849    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3222    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  8  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (893)
893

>  <Formula> (893)
C28H30FN3O4

>  <MolWeight> (893)
491.5539032

>  <Cat> (893)
S8723

>  <Name> (893)
ABBV-744

>  <Synonyms> (893)
N/A

>  <Target> (893)
Epigenetic Reader Do

>  <Form> (893)
Free Base

>  <CAS> (893)
2138861-99-9

>  <URL> (893)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/08142011062D

 27 29  0  0  0  0  0  0  0  0999 V2000
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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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   13.8492    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    1.5876    0.0000 N   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
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
  8 27  1  0  0  0  0
M  END
>  <Mol_ID> (894)
894

>  <Formula> (894)
C18H18FN5O2S

>  <MolWeight> (894)
387.4312232

>  <Cat> (894)
S8727

>  <Name> (894)
Atuveciclib (BAY-1143572)

>  <Synonyms> (894)
N/A

>  <Target> (894)
CDK

>  <Form> (894)
Free Base

>  <CAS> (894)
1414943-88-6

>  <URL> (894)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/08142011062D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3937    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6915    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8895    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1242    7.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4936    8.1496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9262    9.4811    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 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (895)
895

>  <Formula> (895)
C20H16N4O

>  <MolWeight> (895)
328.36724

>  <Cat> (895)
S8729

>  <Name> (895)
AZ32

>  <Synonyms> (895)
N/A

>  <Target> (895)
ATM/ATR

>  <Form> (895)
Free Base

>  <CAS> (895)
No CAS

>  <URL> (895)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/08142011062D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   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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    8.4870    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  7  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  8  1  0  0  0  0
 14 25  1  0  0  0  0
 12 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (896)
896

>  <Formula> (896)
C17H20F3N7O2

>  <MolWeight> (896)
411.3816096

>  <Cat> (896)
S8738

>  <Name> (896)
Bimiralisib (PQR309)

>  <Synonyms> (896)
N/A

>  <Target> (896)
PI3K

>  <Form> (896)
Free Base

>  <CAS> (896)
1225037-39-7

>  <URL> (896)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/08142011062D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    6.0622   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 21 18  1  0  0  0  0
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 28 23  1  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (897)
897

>  <Formula> (897)
C26H26FN7O2

>  <MolWeight> (897)
487.5287432

>  <Cat> (897)
S8741

>  <Name> (897)
Avitinib (AC0010)

>  <Synonyms> (897)
N/A

>  <Target> (897)
EGFR

>  <Form> (897)
Free Base

>  <CAS> (897)
1557267-42-1

>  <URL> (897)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/08142011062D

 36 39  0  0  0  0  0  0  0  0999 V2000
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    9.6995   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119   16.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  2  7  1  0  0  0  0
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 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
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 15 10  1  0  0  0  0
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 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
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 23  1  0  0  0  0
  6 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (898)
898

>  <Formula> (898)
C25H25F3N4O4

>  <MolWeight> (898)
502.4856096

>  <Cat> (898)
S8745

>  <Name> (898)
LXH254

>  <Synonyms> (898)
N/A

>  <Target> (898)
Raf

>  <Form> (898)
Free Base

>  <CAS> (898)
1800398-38-2

>  <URL> (898)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/08142011062D

 26 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
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  9  1  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (899)
899

>  <Formula> (899)
C22H18N4

>  <MolWeight> (899)
338.40512

>  <Cat> (899)
S8749

>  <Name> (899)
MBQ-167

>  <Synonyms> (899)
N/A

>  <Target> (899)
Rho

>  <Form> (899)
Free Base

>  <CAS> (899)
2097938-73-1

>  <URL> (899)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/08142011062D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4938    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7062    1.6834    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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 23 19  1  0  0  0  0
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 26 27  1  0  0  0  0
  2 28  1  0  0  0  0
 28 29  1  0  0  0  0
  7 30  1  0  0  0  0
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M  END
>  <Mol_ID> (900)
900

>  <Formula> (900)
C21H25F3N6O2

>  <MolWeight> (900)
450.4574096

>  <Cat> (900)
S8752

>  <Name> (900)
leniolisib(CDZ 173)

>  <Synonyms> (900)
N/A

>  <Target> (900)
PI3K

>  <Form> (900)
Free Base

>  <CAS> (900)
1354690-24-6

>  <URL> (900)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/08142011062D

 29 31  0  0  0  0  0  0  0  0999 V2000
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   12.0991    5.5976    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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  5 12  1  0  0  0  0
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  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (901)
901

>  <Formula> (901)
C19H15N3O6S

>  <MolWeight> (901)
413.4039

>  <Cat> (901)
S8754

>  <Name> (901)
Alofanib(RPT835)

>  <Synonyms> (901)
N/A

>  <Target> (901)
FGFR

>  <Form> (901)
Free Base

>  <CAS> (901)
1612888-66-0

>  <URL> (901)
http://www.selleckchem.com/products/alofanib-rpt835.html

$$$$

csChFnd80/08142011062D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (902)
902

>  <Formula> (902)
C24H21BrFN5O2

>  <MolWeight> (902)
510.3582432

>  <Cat> (902)
S8757

>  <Name> (902)
Ripretinib (DCC-2618)

>  <Synonyms> (902)
N/A

>  <Target> (902)
c-Kit

>  <Form> (902)
Free Base

>  <CAS> (902)
1442472-39-0

>  <URL> (902)
http://www.selleckchem.com/products/ripretinib-dcc-2618.html

$$$$

csChFnd80/08142011062D

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M  END
>  <Mol_ID> (903)
903

>  <Formula> (903)
C26H23FN8O

>  <MolWeight> (903)
482.5122232

>  <Cat> (903)
S8764

>  <Name> (903)
IITZ-01

>  <Synonyms> (903)
N/A

>  <Target> (903)
Autophagy

>  <Form> (903)
Free Base

>  <CAS> (903)
1807988-47-1

>  <URL> (903)
http://www.selleckchem.com/products/iitz-01.html

$$$$
S9023 20S-Ginsenoside Rh2.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (904)
904

>  <Formula> (904)
C36H62O8

>  <MolWeight> (904)
622.87268

>  <Cat> (904)
S9023

>  <Name> (904)
20S-Ginsenoside Rh2

>  <Form> (904)
free base

>  <CAS> (904)
78214-33-2

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (905)
905

>  <Formula> (905)
C38H46O8

>  <MolWeight> (905)
630.76704

>  <Cat> (905)
S9031

>  <Name> (905)
Gambogenic acid

>  <Form> (905)
free base

>  <CAS> (905)
173932-75-7

$$$$
S9071 Nootkatone.cdx
csChFnd80/08142011062D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (906)
906

>  <Formula> (906)
C15H22O

>  <MolWeight> (906)
218.33458

>  <Cat> (906)
S9071

>  <Name> (906)
Nootkatone

>  <Form> (906)
free base

>  <CAS> (906)
4674-50-4

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/08142011062D

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    1.2124    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (907)
907

>  <Formula> (907)
C21H20O6

>  <MolWeight> (907)
368.3799

>  <Cat> (907)
S9080

>  <Name> (907)
Anhydroicaritin

>  <Form> (907)
free base

>  <CAS> (907)
118525-40-9

$$$$
S9084 Rhoifolin.cdx
csChFnd80/08142011062D

 41 45  0  0  0  0  0  0  0  0999 V2000
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (908)
908

>  <Formula> (908)
C27H30O14

>  <MolWeight> (908)
578.5187

>  <Cat> (908)
S9084

>  <Name> (908)
Rhoifolin

>  <Form> (908)
free base

>  <CAS> (908)
17306-46-6

$$$$
S9092 Norisoboldine.cdx
csChFnd80/08142011062D

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>  <Form> (909)
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>  <CAS> (909)
23599-69-1

$$$$

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>  <Name> (910)
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>  <Form> (910)
free base

>  <CAS> (910)
30220-46-3

$$$$
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>  <Cat> (911)
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>  <Name> (911)
Magnolin

>  <CAS> (911)
31008-18-1

$$$$
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>  <Mol_ID> (912)
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>  <Formula> (912)
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>  <MolWeight> (912)
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>  <Cat> (912)
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>  <Name> (912)
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>  <Form> (912)
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>  <CAS> (912)
41059-79-4

$$$$
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>  <CAS> (914)
482-38-2

$$$$
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>  <Formula> (915)
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>  <Cat> (915)
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>  <Name> (915)
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>  <Form> (915)
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>  <CAS> (915)
50773-41-6

$$$$
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M  END
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5273-86-9

$$$$
S9120 Scutellarein.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (917)
917

>  <Formula> (917)
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>  <MolWeight> (917)
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>  <Cat> (917)
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Scutellarein

>  <CAS> (917)
529-53-3

$$$$
S9127 Carnosol.cdx
csChFnd80/08142011062D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (918)
918

>  <Formula> (918)
C20H26O4

>  <MolWeight> (918)
330.41804

>  <Cat> (918)
S9127

>  <Name> (918)
Carnosol

>  <Form> (918)
free base

>  <CAS> (918)
5957-80-2

$$$$
S9141 Berbamine.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (919)
919

>  <Formula> (919)
C37H40N2O6

>  <MolWeight> (919)
608.7233

>  <Cat> (919)
S9141

>  <Name> (919)
Berbamine

>  <Form> (919)
free base

>  <CAS> (919)
478-61-5

$$$$
S9152 Epiberberine.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (920)
920

>  <Formula> (920)
C20H18NO4+

>  <MolWeight> (920)
336.36122

>  <Cat> (920)
S9152

>  <Name> (920)
Epiberberine

>  <Form> (920)
free base

>  <CAS> (920)
1816598

$$$$
S9159 Momordin Ic.cdx
csChFnd80/08142011062D

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96990-18-0

$$$$
S9162 Rubimaillin.cdx
csChFnd80/08142011062D

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922

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>  <MolWeight> (922)
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>  <Cat> (922)
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Rubimaillin

>  <CAS> (922)
55481-88-4

$$$$
S9172 Phellodendrine.cdx
csChFnd80/08142011062D

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923

>  <Formula> (923)
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>  <MolWeight> (923)
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>  <Cat> (923)
S9172

>  <Name> (923)
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free base

>  <CAS> (923)
6873-13-8

$$$$
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csChFnd80/08142011062D

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 23 28  1  1  0  0  0
 25 29  1  1  0  0  0
  2 30  1  0  0  0  0
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 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (924)
924

>  <Formula> (924)
C27H30O15

>  <MolWeight> (924)
594.5181

>  <Cat> (924)
S9190

>  <Name> (924)
Oroxin B

>  <Form> (924)
free base

>  <CAS> (924)
114482-86-9

$$$$

csChFnd80/08142011062D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
 13 20  2  0  0  0  0
  3 12  2  0  0  0  0
M  END
>  <Mol_ID> (925)
925

>  <Formula> (925)
C16H11N3O2

>  <MolWeight> (925)
277.27744

>  <Cat> (925)
S2009

>  <Name> (925)
Indirubin-3'-monoxime

>  <Synonyms> (925)
Indirubin-3'-oxime

>  <Target> (925)
CDK

>  <Form> (925)
Free Base

>  <CAS> (925)
160807-49-8

>  <URL> (925)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$

csChFnd80/08142011062D

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.0018    8.6912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7019    7.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0613    7.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6638    6.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  4  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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  2 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 15 20  2  0  0  0  0
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 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
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 18 23  1  0  0  0  0
 27 28  1  0  0  0  0
 16 27  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (926)
926

>  <Formula> (926)
C20H20N4O3S

>  <MolWeight> (926)
396.4628

>  <Cat> (926)
S2039

>  <Name> (926)
IRAK inhibitor 6

>  <Synonyms> (926)
N/A

>  <Target> (926)
IL Receptor

>  <Form> (926)
Free Base

>  <CAS> (926)
1042672-97-8

>  <URL> (926)
http://www.selleck.cn/products/irak-inhibitor-6.html

$$$$
S9230 Vaccarin.cdx
csChFnd80/08142011062D

 51 56  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (927)
927

>  <Formula> (927)
C32H38O19

>  <MolWeight> (927)
726.63272

>  <Cat> (927)
S9230

>  <Name> (927)
Vaccarin

>  <Form> (927)
free base

>  <CAS> (927)
53452-16-7

$$$$
S9240 Isofraxidin.cdx
csChFnd80/08142011062D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (928)
928

>  <Formula> (928)
C11H10O5

>  <MolWeight> (928)
222.1941

>  <Cat> (928)
S9240

>  <Name> (928)
Isofraxidin

>  <Form> (928)
free base

>  <CAS> (928)
486-21-5

$$$$
S9275 Isoguanosine.cdx
csChFnd80/08142011062D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  4  9  1  0  0  0  0
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 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (929)
929

>  <Formula> (929)
C10H13N5O5

>  <MolWeight> (929)
283.24072

>  <Cat> (929)
S9275

>  <Name> (929)
Isoguanosine

>  <Form> (929)
free base

>  <CAS> (929)
1818-71-9

$$$$

csChFnd80/08142011062D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  1  1  0  0  0  0
  1  2  1  0  0  0  0
 19  3  2  0  0  0  0
  3 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
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  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 16 12  1  0  0  0  0
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 13 14  2  0  0  0  0
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 15 16  2  0  0  0  0
 23 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (930)
930

>  <Formula> (930)
C19H21N3O2S

>  <MolWeight> (930)
355.45394

>  <Cat> (930)
S2070

>  <Name> (930)
ISCK03

>  <Synonyms> (930)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (930)
c-Kit

>  <Form> (930)
Free Base

>  <CAS> (930)
945526-43-2

>  <URL> (930)
http://www.selleck.cn/products/isck03.html

$$$$
S9314 Atractylenolide II.cdx
csChFnd80/08142011062D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8437    2.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2041    1.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6327    3.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6327    0.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    3.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3719    2.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    4.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    0.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6825    4.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4070    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    4.2009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  8  1  1  0  0  0  0
  2  3  1  0  0  0  0
 11  2  2  0  0  0  0
  2  5  1  0  0  0  0
 14  3  1  0  0  0  0
  5  4  1  0  0  0  0
  9  4  1  0  0  0  0
  4 19  1  6  0  0  0
  6  7  1  0  0  0  0
 13  6  1  0  0  0  0
  6 15  1  6  0  0  0
  9  6  1  0  0  0  0
  7  8  1  0  0  0  0
 10  7  1  0  0  0  0
  7 18  1  1  0  0  0
 12 10  2  0  0  0  0
 16 10  1  0  0  0  0
 13 17  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (931)
931

>  <Formula> (931)
C15H20O2

>  <MolWeight> (931)
232.3181

>  <Cat> (931)
S9314

>  <Name> (931)
Atractylenolide II

>  <Form> (931)
free base

>  <CAS> (931)
73069-14-4

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/08142011062D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8789    2.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8807    4.2433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6534    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    4.9160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6683    4.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418    2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3067    2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3067    4.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    6.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6683    6.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6863    3.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  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
  5 12  1  1  0  0  0
  6 13  1  0  0  0  0
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 10 14  2  0  0  0  0
 11 17  1  0  0  0  0
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 16 23  2  0  0  0  0
 16 22  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (932)
932

>  <Formula> (932)
C21H22O7

>  <MolWeight> (932)
386.39518

>  <Cat> (932)
S9315

>  <Name> (932)
Praeruptorin A

>  <Form> (932)
free base

>  <CAS> (932)
73069-25-7

$$$$
S5548 7-Hydroxy-4-chromone.cdx
csChFnd80/08142011062D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.6428    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4322    2.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8608    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
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  6 11  1  0  0  0  0
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  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (933)
933

>  <Formula> (933)
C9H6O3

>  <MolWeight> (933)
162.14214

>  <Cat> (933)
S5548

>  <Name> (933)
7-Hydroxy-4-chromone

>  <Target> (933)
Src

>  <Form> (933)
free base

>  <CAS> (933)
59887-89-7

>  <URL> (933)
http://selleckchem.com/products/.html

$$$$
S5617 Myristic Acid.cdx
csChFnd80/08142011062D

 16 15  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (934)
934

>  <Formula> (934)
C14H28O2

>  <MolWeight> (934)
228.37092

>  <Cat> (934)
S5617

>  <Name> (934)
Myristic Acid

>  <Form> (934)
free base

>  <CAS> (934)
544-63-8

$$$$
S9041 Corosolic acid.cdx
csChFnd80/08142011062D

 37 41  0  0  0  0  0  0  0  0999 V2000
    7.2808    5.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (935)
935

>  <Formula> (935)
C30H48O4

>  <MolWeight> (935)
472.69972

>  <Cat> (935)
S9041

>  <Name> (935)
Corosolic acid

>  <Form> (935)
free base

>  <CAS> (935)
4547-24-4

$$$$
S9042 Wedelolactone.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (936)
936

>  <Formula> (936)
C16H10O7

>  <MolWeight> (936)
314.2464

>  <Cat> (936)
S9042

>  <Name> (936)
Wedelolactone

>  <Form> (936)
free base

>  <CAS> (936)
524-12-9

$$$$
S9022 20S-Ginsenoside Rg3.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (937)
937

>  <Formula> (937)
C42H72O13

>  <MolWeight> (937)
785.01328

>  <Cat> (937)
S9022

>  <Name> (937)
20S-Ginsenoside Rg3

>  <Form> (937)
free base

>  <CAS> (937)
14197-60-5

$$$$

csChFnd80/08142011062D

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M  END
>  <Mol_ID> (938)
938

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C16H14N2O2

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RG 13022

>  <Synonyms> (938)
Tyrphostin RG13022

>  <Target> (938)
EGFR

>  <Form> (938)
Free Base

>  <CAS> (938)
136831-48-6

>  <URL> (938)
http://www.selleck.cn/products/rg-13022.html

$$$$
S9359 Anthraquinone-2-carboxylic Acid.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (939)
939

>  <Formula> (939)
C15H8O4

>  <MolWeight> (939)
252.22162

>  <Cat> (939)
S9359

>  <Name> (939)
Anthraquinone-2-carboxylic Acid

>  <Form> (939)
free base

>  <CAS> (939)
117-78-2

$$$$
S9376 Benzylacetone.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (940)
940

>  <Formula> (940)
C10H12O

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148.20168

>  <Cat> (940)
S9376

>  <Name> (940)
Benzylacetone

>  <Form> (940)
free base

>  <CAS> (940)
2550-26-7

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (941)
941

>  <Formula> (941)
C43H44ClFN4O11S3

>  <MolWeight> (941)
943.4760632

>  <Cat> (941)
S5241

>  <Name> (941)
Lapatinib ditosylate monohydrate

>  <Synonyms> (941)
Tykerb Ditosylate

>  <Target> (941)
Others

>  <Form> (941)
ditosylate monohydrate

>  <CAS> (941)
388082-78-8

>  <URL> (941)
http://selleckchem.com/products/.html

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (942)
942

>  <Formula> (942)
C22H27Cl2N7O2S

>  <MolWeight> (942)
524.46648

>  <Cat> (942)
S5254

>  <Name> (942)
Dasatinib hydrochloride

>  <Synonyms> (942)
BMS 354825 hydrochloride

>  <Target> (942)
Abl/Src

>  <Form> (942)
hydrochloride 

>  <CAS> (942)
854001-07-3

>  <URL> (942)
http://selleckchem.com/products/.html

$$$$
S5716 Abemaciclib.cdx
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>  <Name> (943)
Abemaciclib

>  <Synonyms> (943)
LY2835219

>  <Target> (943)
CDK

>  <Form> (943)
free base

>  <CAS> (943)
1231929-97-7 

>  <URL> (943)
http://selleckchem.com/products/abemaciclib.html

$$$$
S5667 Fruquintinib.cdx
csChFnd80/08142011062D

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>  <Mol_ID> (944)
944

>  <Formula> (944)
C21H19N3O5

>  <MolWeight> (944)
393.39266

>  <Cat> (944)
S5667

>  <Name> (944)
Fruquintinib

>  <Target> (944)
VEGFRs

>  <CAS> (944)
1194506-26-7

>  <URL> (944)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

csChFnd80/08142011062D

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>  <Mol_ID> (945)
945

>  <Formula> (945)
C30H34N4O2

>  <MolWeight> (945)
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>  <Cat> (945)
S2762

>  <Name> (945)
Alectinib (CH5424802)

>  <Synonyms> (945)
AF-802,RG-7853

>  <Target> (945)
ALK

>  <Form> (945)
Free Base

>  <CAS> (945)
1256580-46-7

>  <URL> (945)
http://www.selleckchem.com/products/ch5424802.html

$$$$

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   15.3800    5.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    7.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7800    5.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  7  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17 13  1  0  0  0  0
  9 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  9  1  0  0  0  0
 21 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 30 36  1  0  0  0  0
 11 37  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (946)
946

>  <Formula> (946)
C29H37N7O5S

>  <MolWeight> (946)
595.71298

>  <Cat> (946)
S5078

>  <Name> (946)
Osimertinib mesylate

>  <Synonyms> (946)
AZD9291 mesylate

>  <Target> (946)
EGFR

>  <Form> (946)
mesylate

>  <CAS> (946)
1421373-66-1

>  <URL> (946)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/08142011062D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.2000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (947)
947

>  <Formula> (947)
C16H21Cl2N3

>  <MolWeight> (947)
326.26404

>  <Cat> (947)
S5670

>  <Name> (947)
Chloropyramine hydrochloride

>  <Synonyms> (947)
Halopyramine hydrochloride

>  <Target> (947)
Histamine Receptor

>  <Form> (947)
hydrochloride

>  <CAS> (947)
6170-42-9

>  <URL> (947)
http://www.selleckchem.com/products/chloropyramine-hydrochloride.html

$$$$

csChFnd80/08142011062D

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.2817    7.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652    8.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6454    7.7618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5166    8.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0939    2.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  3  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
 19 21  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  6  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  4 22  1  0  0  0  0
  2  6  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (948)
948

>  <Formula> (948)
C16H20N7O6PS

>  <MolWeight> (948)
469.412061

>  <Cat> (948)
S5754

>  <Name> (948)
Baricitinib phosphate

>  <Synonyms> (948)
INCB-028050 phosphate, LY-3009104 phosphate 

>  <Target> (948)
JAK

>  <Form> (948)
phosphate

>  <CAS> (948)
1187595-84-1

>  <URL> (948)
http://www.selleckchem.com/products/baricitinib-phosphate.html

$$$$

csChFnd80/08142011062D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.4136    0.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724    1.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4081    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  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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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (949)
949

>  <Formula> (949)
C22H21ClN2O3

>  <MolWeight> (949)
396.86674

>  <Cat> (949)
S5792

>  <Name> (949)
CID 2011756

>  <Synonyms> (949)
N/A

>  <Target> (949)
Serine/threonin kina

>  <Form> (949)
Free Base

>  <CAS> (949)
638156-11-3

>  <URL> (949)
http://www.selleckchem.com/products/cid-2011756.html

$$$$

csChFnd80/08142011062D

 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
  3  9  2  0  0  0  0
  4  3  1  0  0  0  0
  6  3  1  0  0  0  0
 14  4  1  0  0  0  0
 10  5  1  0  0  0  0
 13  5  1  0  0  0  0
  6 11  2  0  0  0  0
  8  6  1  0  0  0  0
 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
  9 12  1  0  0  0  0
 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
 24 16  1  0  0  0  0
 20 18  1  0  0  0  0
 28 19  2  0  0  0  0
 26 20  1  0  0  0  0
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 23 28  1  0  0  0  0
 24 26  2  0  0  0  0
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M  END
>  <Mol_ID> (950)
950

>  <Formula> (950)
C22H23N5O

>  <MolWeight> (950)
373.45092

>  <Cat> (950)
S5793

>  <Name> (950)
Motesanib (AMG-706)

>  <Synonyms> (950)
N/A

>  <Target> (950)
VEGFR

>  <Form> (950)
Free Base

>  <CAS> (950)
453562-69-1

>  <URL> (950)
http://www.selleckchem.com/products/motesanib-amg-706.html

$$$$

csChFnd80/08142011062D

 27 29  0  0  0  0  0  0  0  0999 V2000
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173529-10-7

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http://www.selleckchem.com/products/hmn-176.html

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csChFnd80/08142011062D

 30 34  0  0  0  0  0  0  0  0999 V2000
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952

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C21H16FN7O

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acalisib (GS-9820)

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PI3K

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Free Base

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870281-34-8

>  <URL> (952)
http://www.selleckchem.com/products/acalisib-gs-9820.html

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csChFnd80/08142011062D

 32 36  0  0  0  0  0  0  0  0999 V2000
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N/A

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TGF-beta/Smad

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Free Base

>  <CAS> (953)
1898283-02-7

>  <URL> (953)
http://www.selleckchem.com/products/ly3200882.html

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csChFnd80/08142011062D

 29 33  0  0  0  0  0  0  0  0999 V2000
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2158197-70-5

>  <URL> (954)
http://www.selleckchem.com/products/hs-1371.html

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   12.1244   10.5000    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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  1  7  1  0  0  0  0
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  4 11  1  0  0  0  0
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 25 19  1  0  0  0  0
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 26 27  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
M  END
>  <Mol_ID> (955)
955

>  <Formula> (955)
C25H27N5O2

>  <MolWeight> (955)
429.51418

>  <Cat> (955)
S8777

>  <Name> (955)
Evobrutinib

>  <Synonyms> (955)
M-2951, MSC-2364447C

>  <Target> (955)
BTK

>  <Form> (955)
Free Base

>  <CAS> (955)
1415823-73-2

>  <URL> (955)
http://www.selleckchem.com/products/evobrutinib.html

$$$$

csChFnd80/08142011062D

 33 35  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  8 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 19 13  1  0  0  0  0
 15 20  1  0  0  0  0
 18 24  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
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M  END
>  <Mol_ID> (956)
956

>  <Formula> (956)
C22H21F3N6O2

>  <MolWeight> (956)
458.4363496

>  <Cat> (956)
S8801

>  <Name> (956)
CC-90003

>  <Synonyms> (956)
N/A

>  <Target> (956)
ERK

>  <Form> (956)
Free Base

>  <CAS> (956)
1621999-82-3

>  <URL> (956)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/08142011062D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 21 26  2  0  0  0  0
 27 28  1  0  0  0  0
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 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
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 18 21  1  0  0  0  0
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 11 12  1  0  0  0  0
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M  END
>  <Mol_ID> (957)
957

>  <Formula> (957)
C27H19ClN2O3

>  <MolWeight> (957)
454.90436

>  <Cat> (957)
S8803

>  <Name> (957)
MK-3903

>  <Synonyms> (957)
N/A

>  <Target> (957)
AMPK

>  <Form> (957)
Free Base

>  <CAS> (957)
1219737-12-8

>  <URL> (957)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/08142011062D

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 33 40  1  6  0  0  0
 32 30  1  1  0  0  0
 26 30  1  6  0  0  0
 41 42  1  0  0  0  0
 29 41  1  1  0  0  0
 28 43  1  6  0  0  0
 27 44  1  1  0  0  0
 23 25  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
>  <Mol_ID> (958)
958

>  <Formula> (958)
C28H32O16

>  <MolWeight> (958)
624.54408

>  <Cat> (958)
S9455

>  <Name> (958)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (958)
N/A

>  <Target> (958)
Others

>  <Form> (958)
Free Base

>  <CAS> (958)
55033-90-4

>  <URL> (958)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/08142011062D

 38 42  0  0  0  0  0  0  0  0999 V2000
    7.3952    4.1882    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1465    3.4678    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.5957    6.3009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6974    2.0752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8443    5.5809    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1465    2.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5957    7.6936    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.1465    6.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7196    3.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11  1  1  0  0  0  0
  1 21  1  6  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  2  1  0  0  0  0
  9  2  1  0  0  0  0
  2 22  1  1  0  0  0
  6  3  1  0  0  0  0
 12  3  2  0  0  0  0
  5  4  1  0  0  0  0
 20  4  1  0  0  0  0
  4 23  1  1  0  0  0
  7  4  1  0  0  0  0
 13  5  1  0  0  0  0
  5 33  1  6  0  0  0
 10  6  1  0  0  0  0
  8  6  1  0  0  0  0
  6 32  1  1  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
  7 31  1  6  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
  8 24  1  1  0  0  0
 14  9  1  0  0  0  0
 18 10  1  0  0  0  0
 10 26  1  1  0  0  0
 10 35  1  6  0  0  0
 16 11  1  0  0  0  0
 13 12  1  0  0  0  0
 25 15  1  0  0  0  0
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M  END
>  <Mol_ID> (959)
959

>  <Formula> (959)
C30H48O5

>  <MolWeight> (959)
488.69912

>  <Cat> (959)
S9514

>  <Name> (959)
Rotundic acid

>  <Synonyms> (959)
Rutundic acid

>  <Target> (959)
Others

>  <Form> (959)
Free Base

>  <CAS> (959)
20137-37-5

>  <URL> (959)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/08142011062D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (960)
960

>  <Formula> (960)
C17H16O5

>  <MolWeight> (960)
300.30594

>  <Cat> (960)
S9552

>  <Name> (960)
Farrerol

>  <Synonyms> (960)
N/A

>  <Target> (960)
Others

>  <Form> (960)
Free Base

>  <CAS> (960)
24211-30-1

>  <URL> (960)
http://www.selleckchem.com/products/farrerol.html

$$$$

csChFnd80/08142011062D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (961)
961

>  <Formula> (961)
C10H10O2

>  <MolWeight> (961)
162.1852

>  <Cat> (961)
S6221

>  <Name> (961)
Methyl cinnamate

>  <Synonyms> (961)
N/A

>  <Target> (961)
Others

>  <Form> (961)
free base

>  <CAS> (961)
103-26-4

>  <URL> (961)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/08142011062D

 12 13  0  0  0  0  0  0  0  0999 V2000
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    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
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  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (962)
962

>  <Formula> (962)
C7H9N5

>  <MolWeight> (962)
163.17986

>  <Cat> (962)
S6088

>  <Name> (962)
6-(Dimethylamino)purine

>  <Synonyms> (962)
N,N-Dimethyladenine

>  <Target> (962)
Serine/threonin kina

>  <Form> (962)
free base

>  <CAS> (962)
938-55-6

>  <URL> (962)
http://www.selleck.cn/products/6-dimethylamino-purine.html

$$$$

csChFnd80/08142011062D

 38 43  0  0  0  0  0  0  0  0999 V2000
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M  END
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968

>  <Formula> (968)
C18H11F3N2O

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S8807

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>  <Synonyms> (968)
N/A

>  <Target> (968)
Autophagy

>  <Form> (968)
free base

>  <CAS> (968)
1462249-75-7

>  <URL> (968)
http://www.selleck.cn/products/pfk158.html

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csChFnd80/08142011062D

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M  END
>  <Mol_ID> (969)
969

>  <Formula> (969)
C27H24F3N5O2

>  <MolWeight> (969)
507.5069696

>  <Cat> (969)
S8810

>  <Name> (969)
SPHINX31

>  <Synonyms> (969)
N/A

>  <Target> (969)
Serine/threonin kina

>  <Form> (969)
free base

>  <CAS> (969)
1818389-84-2

>  <URL> (969)
http://www.selleck.cn/products/sphinx31.html

$$$$

csChFnd80/08142011062D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (970)
970

>  <Formula> (970)
C21H19ClNO4+

>  <MolWeight> (970)
384.83286

>  <Cat> (970)
S1292

>  <Name> (970)
Chelerythrine Chloride

>  <Synonyms> (970)
N/A

>  <Target> (970)
PKC

>  <Form> (970)
Chloride

>  <CAS> (970)
3895-92-9

>  <URL> (970)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/08142011062D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (971)
971

>  <Formula> (971)
C26H31Cl2N7O3

>  <MolWeight> (971)
560.47544

>  <Cat> (971)
S2183

>  <Name> (971)
BGJ398 (NVP-BGJ398|Infigratinib)

>  <Synonyms> (971)
N/A

>  <Target> (971)
FGFR

>  <Form> (971)
Free Base

>  <CAS> (971)
872511-34-7

>  <URL> (971)
http://www.selleck.cn/products/bgj398-nvp-bgj398.html

$$$$

csChFnd80/08142011062D

 28 32  0  0  0  0  0  0  0  0999 V2000
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518-17-2

>  <URL> (976)
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Epigenetic Reader Do

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1300031-49-5

>  <URL> (977)
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>  <MolWeight> (978)
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>  <Cat> (978)
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STA-5326

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PI3K

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Free Base

>  <CAS> (978)
541550-19-0

>  <URL> (978)
http://www.selleck.cn/products/apilimod.html

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947303-87-9

>  <URL> (979)
http://www.selleck.cn/products/pf429242.html

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>  <MolWeight> (980)
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>  <Synonyms> (980)
N/A

>  <Target> (980)
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>  <Form> (980)
Free Base

>  <CAS> (980)
193620-69-8

>  <URL> (980)
http://www.selleck.cn/products/tas-301.html

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M  END
>  <Mol_ID> (981)
981

>  <Formula> (981)
C18H12CrN3O6

>  <MolWeight> (981)
418.30048

>  <Cat> (981)
S6443

>  <Name> (981)
Chromium picolinate

>  <Synonyms> (981)
N/A

>  <Target> (981)
Others

>  <Form> (981)
Free Base

>  <CAS> (981)
14639-25-9

>  <URL> (981)
http://www.selleck.cn/products/chromium-picolinate.html

$$$$

csChFnd80/08142011062D

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982

>  <Formula> (982)
C23H18N6O2

>  <MolWeight> (982)
410.42802

>  <Cat> (982)
S7137

>  <Name> (982)
GLPG0634 analogue

>  <Synonyms> (982)
N/A

>  <Target> (982)
JAK

>  <Form> (982)
Free Base

>  <CAS> (982)
1206101-20-3

>  <URL> (982)
http://www.selleck.cn/products/glpg0634.html

$$$$

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983

>  <Formula> (983)
C29H39ClN7O2P

>  <MolWeight> (983)
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>  <Cat> (983)
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>  <Name> (983)
Brigatinib (AP26113)

>  <Synonyms> (983)
N/A

>  <Target> (983)
ALK

>  <Form> (983)
Free Base

>  <CAS> (983)
1197953-54-0

>  <URL> (983)
http://www.selleck.cn/products/brigatinib-ap26113.html

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M  END
>  <Mol_ID> (984)
984

>  <Formula> (984)
C19H18N4O3

>  <MolWeight> (984)
350.37122

>  <Cat> (984)
S8684

>  <Name> (984)
Selective JAK3 inhibitor 1

>  <Synonyms> (984)
N/A

>  <Target> (984)
JAK

>  <Form> (984)
Free Base

>  <CAS> (984)
1443235-95-7

>  <URL> (984)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/08142011062D

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 14  9  1  0  0  0  0
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 22  7  2  0  0  0  0
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M  END
>  <Mol_ID> (985)
985

>  <Formula> (985)
C23H20FN7O

>  <MolWeight> (985)
429.4496032

>  <Cat> (985)
S8693

>  <Name> (985)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (985)
N/A

>  <Target> (985)
PI3K

>  <Form> (985)
Free Base

>  <CAS> (985)
2088525-31-7

>  <URL> (985)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/08142011062D

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M  END
>  <Mol_ID> (986)
986

>  <Formula> (986)
C37H41N9O3S

>  <MolWeight> (986)
691.84494

>  <Cat> (986)
S8701

>  <Name> (986)
MK-8353 (SCH900353)

>  <Synonyms> (986)
N/A

>  <Target> (986)
ERK

>  <Form> (986)
Free Base

>  <CAS> (986)
1184173-73-6

>  <URL> (986)
http://www.selleck.cn/products/mk-8353-sch900353.html

$$$$

csChFnd80/08142011062D

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M  END
>  <Mol_ID> (987)
987

>  <Formula> (987)
C19H16N4O3

>  <MolWeight> (987)
348.35534

>  <Cat> (987)
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>  <Name> (987)
INCB054329£¨INCB-054329,INCB-54329£©

>  <Synonyms> (987)
N/A

>  <Target> (987)
Epigenetic Reader Do

>  <Form> (987)
Free Base

>  <CAS> (987)
1628607-64-6

>  <URL> (987)
http://www.selleck.cn/products/incb054329.html

$$$$

csChFnd80/08142011062D

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M  END
>  <Mol_ID> (988)
988

>  <Formula> (988)
C32H31N3O5S

>  <MolWeight> (988)
569.67064

>  <Cat> (988)
S8788

>  <Name> (988)
CH7057288

>  <Synonyms> (988)
N/A

>  <Target> (988)
Trk receptor

>  <Form> (988)
Free Base

>  <CAS> (988)
2095616-82-1

>  <URL> (988)
http://www.selleck.cn/products/ch7057288.html

$$$$

csChFnd80/08142011062D

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M  END
>  <Mol_ID> (989)
989

>  <Formula> (989)
C27H29N5O3

>  <MolWeight> (989)
471.55086

>  <Cat> (989)
S8791

>  <Name> (989)
Zanubrutinib (BGB-3111)

>  <Synonyms> (989)
N/A

>  <Target> (989)
BTK

>  <Form> (989)
Free Base

>  <CAS> (989)
1691249-45-2

>  <URL> (989)
http://www.selleck.cn/products/zanubrutini-bgb-3111.html

$$$$

csChFnd80/08142011062D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (990)
990

>  <Formula> (990)
C22H16F4N4OS

>  <MolWeight> (990)
460.4472528

>  <Cat> (990)
S8793

>  <Name> (990)
ULK-101

>  <Synonyms> (990)
N/A

>  <Target> (990)
Autophagy

>  <Form> (990)
Free Base

>  <CAS> (990)
no cas

>  <URL> (990)
http://www.selleck.cn/products/ulk-101.html

$$$$

csChFnd80/08142011062D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (991)
991

>  <Formula> (991)
C14H14ClFN8

>  <MolWeight> (991)
348.7659632

>  <Cat> (991)
S2162

>  <Name> (991)
AZD1480

>  <Synonyms> (991)
N/A

>  <Target> (991)
JAK

>  <Form> (991)
free base

>  <CAS> (991)
935666-88-9

>  <URL> (991)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/08142011062D

 37 41  0  0  0  0  0  0  0  0999 V2000
   21.4061    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9275    1.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5489    0.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6490    1.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1276    3.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5062    3.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8275    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.2276    4.2893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8489    4.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3702    2.7305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9490    5.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7365    4.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8487    6.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4699    6.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3119    3.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0996    2.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3998    2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7002    1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6743    5.1177    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 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
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 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
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 34  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
>  <Mol_ID> (992)
992

>  <Formula> (992)
C26H21F3N4O4

>  <MolWeight> (992)
510.4645496

>  <Cat> (992)
S6412

>  <Name> (992)
Altiratinib

>  <Synonyms> (992)
DCC-2701

>  <Target> (992)
Trk receptor

>  <Form> (992)
free base

>  <CAS> (992)
1345847-93-9

>  <URL> (992)
http://www.selleck.cn/products/altiratinib.html

$$$$

csChFnd80/08142011062D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4268    3.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2152    5.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5673    1.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0027    0.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3727    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (993)
993

>  <Formula> (993)
C12H12O2

>  <MolWeight> (993)
188.22248

>  <Cat> (993)
S6493

>  <Name> (993)
n-Butylidenephthalide

>  <Synonyms> (993)
N/A

>  <Target> (993)
Others

>  <Form> (993)
free base

>  <CAS> (993)
551-08-6

>  <URL> (993)
http://www.selleck.cn/products/n-butylidenephthalide.html

$$$$

csChFnd80/08142011062D

 14 14  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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 N   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  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  3  0  0  0  0
 12 14  3  0  0  0  0
M  END
>  <Mol_ID> (994)
994

>  <Formula> (994)
C9H5ClN4

>  <MolWeight> (994)
204.6158

>  <Cat> (994)
S6494

>  <Name> (994)
CCCP

>  <Synonyms> (994)
Carbonyl cyanide m-chlorophenyl hydrazone

>  <Target> (994)
Others

>  <Form> (994)
free base

>  <CAS> (994)
555-60-2

>  <URL> (994)
http://www.selleck.cn/products/cccp.html

$$$$

csChFnd80/08142011062D

 13 13  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
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    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <Mol_ID> (995)
995

>  <Formula> (995)
C8H7BrO3

>  <MolWeight> (995)
231.04338

>  <Cat> (995)
S6495

>  <Name> (995)
6-Bromo-2-hydroxy-3-methoxybenzaldehyde

>  <Synonyms> (995)
N/A

>  <Target> (995)
Others

>  <Form> (995)
free base

>  <CAS> (995)
20035-41-0

>  <URL> (995)
http://www.selleck.cn/products/6-bromo-2-hydroxy-3-methoxybenzaldehyde.html

$$$$

csChFnd80/08142011062D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    0.0000    1.4000    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
    6.0622    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.3341   14.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6341   13.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5708   12.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9118   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  1  0  0  0  0
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 13 14  1  6  0  0  0
 13 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  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
 21 25  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  2  0  0  0  0
 26 22  1  0  0  0  0
 26 27  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
M  END
>  <Mol_ID> (996)
996

>  <Formula> (996)
C24H38N2O4

>  <MolWeight> (996)
418.56952

>  <Cat> (996)
S6496

>  <Name> (996)
Genz-123346 free base

>  <Synonyms> (996)
N/A

>  <Target> (996)
Others

>  <Form> (996)
free base

>  <CAS> (996)
491833-30-8

>  <URL> (996)
http://www.selleck.cn/products/genz-123346-free-base.html

$$$$

csChFnd80/08142011062D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    3.6314    0.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8511    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2695    2.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2377    0.7425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4203    1.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078    0.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2678    2.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8438    1.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2723    1.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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924473-59-6

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http://www.selleck.cn/products/t56-limki.html

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M  END
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1002

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C20H20ClN5O2

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397.8581

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S6502

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SD 0006

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N/A

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p38 MAPK

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free base

>  <CAS> (1,002)
271576-80-8

>  <URL> (1,002)
http://www.selleck.cn/products/sd-0006.html

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csChFnd80/08142011062D

 32 35  0  0  0  0  0  0  0  0999 V2000
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1003

>  <Formula> (1,003)
C22H19ClN2O6S

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474.91406

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S6503

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LX2343

>  <Synonyms> (1,003)
N/A

>  <Target> (1,003)
BACE

>  <Form> (1,003)
free base

>  <CAS> (1,003)
333745-53-2

>  <URL> (1,003)
http://www.selleck.cn/products/lx2343.html

$$$$

csChFnd80/08142011062D

 37 40  0  0  0  0  0  0  0  0999 V2000
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1005

>  <Formula> (1,004)
C25H25Cl2FN6O3

>  <MolWeight> (1,004)
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>  <Cat> (1,004)
S6505

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X-376

>  <Synonyms> (1,004)
N/A

>  <Target> (1,004)
ALK

>  <Form> (1,004)
free base

>  <CAS> (1,004)
1365267-27-1

>  <URL> (1,004)
http://www.selleck.cn/products/x-376.html

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csChFnd80/08142011062D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
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1006

>  <Formula> (1,005)
C16H15N3O2

>  <MolWeight> (1,005)
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>  <Cat> (1,005)
S6506

>  <Name> (1,005)
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>  <Synonyms> (1,005)
N/A

>  <Target> (1,005)
DNA-PK

>  <Form> (1,005)
free base

>  <CAS> (1,005)
168425-64-7

>  <URL> (1,005)
http://www.selleck.cn/products/compound-401.html

$$$$

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   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
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 30 35  2  0  0  0  0
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 25 27  1  0  0  0  0
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M  END
>  <Mol_ID> (1,006)
1007

>  <Formula> (1,006)
C24H28ClN2O7PS

>  <MolWeight> (1,006)
554.980081

>  <Cat> (1,006)
S6507

>  <Name> (1,006)
KN-92 phosphate

>  <Synonyms> (1,006)
N/A

>  <Target> (1,006)
Others

>  <Form> (1,006)
phosphate

>  <CAS> (1,006)
1135280-28-2

>  <URL> (1,006)
http://www.selleck.cn/products/kn-92-phosphate.html

$$$$

csChFnd80/08142011062D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 11 12  2  0  0  0  0
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 27 28  1  0  0  0  0
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 18 21  1  0  0  0  0
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M  END
>  <Mol_ID> (1,007)
1008

>  <Formula> (1,007)
C24H26N4O3S

>  <MolWeight> (1,007)
450.55324

>  <Cat> (1,007)
S6508

>  <Name> (1,007)
Mitapivat

>  <Synonyms> (1,007)
AG-348

>  <Target> (1,007)
PKM

>  <Form> (1,007)
free base

>  <CAS> (1,007)
1260075-17-9

>  <URL> (1,007)
http://www.selleck.cn/products/mitapivat.html

$$$$

csChFnd80/08142011062D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  7 10  1  0  0  0  0
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 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,008)
1009

>  <Formula> (1,008)
C16H12N2O3

>  <MolWeight> (1,008)
280.27808

>  <Cat> (1,008)
S6509

>  <Name> (1,008)
AG 494

>  <Synonyms> (1,008)
N/A

>  <Target> (1,008)
EGFR

>  <Form> (1,008)
free base

>  <CAS> (1,008)
133550-35-3

>  <URL> (1,008)
http://www.selleck.cn/products/ag-494.html

$$$$

csChFnd80/08142011062D

 22 22  0  0  0  0  0  0  0  0999 V2000
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   11.2141    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7852    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,009)
1010

>  <Formula> (1,009)
C14H19Cl2N3O2S

>  <MolWeight> (1,009)
364.29056

>  <Cat> (1,009)
S6510

>  <Name> (1,009)
Iso-H7 dihydrochloride

>  <Synonyms> (1,009)
N/A

>  <Target> (1,009)
Phosphorylase

>  <Form> (1,009)
dihydrochloride

>  <CAS> (1,009)
140663-38-3

>  <URL> (1,009)
http://www.selleck.cn/products/iso-h7-dihydrochloride.html

$$$$

csChFnd80/08142011062D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,010)
1011

>  <Formula> (1,010)
C13H19NO2

>  <MolWeight> (1,010)
221.29546

>  <Cat> (1,010)
S6511

>  <Name> (1,010)
RIPA-56

>  <Synonyms> (1,010)
N/A

>  <Target> (1,010)
TNF-alpha

>  <Form> (1,010)
free base

>  <CAS> (1,010)
1956370-21-0

>  <URL> (1,010)
http://www.selleck.cn/products/ripa-56.html

$$$$

csChFnd80/08142011062D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
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1356962-34-9

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JAK

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free base

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21561-09-1

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Phospholipase (e.g. 

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free base

>  <CAS> (1,018)
106392-48-7

>  <URL> (1,018)
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csChFnd80/08142011062D

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Tyrphostin RG14620

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EGFR

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free base

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136831-49-7

>  <URL> (1,019)
http://www.selleck.cn/products/rg14620.html

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>  <Synonyms> (1,020)
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JAK

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free base

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195371-52-9

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http://www.selleck.cn/products/nsc-42834.html

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EGFR

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133550-34-2

>  <URL> (1,021)
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    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> (1,034)
1035

>  <Formula> (1,034)
C22H19N3O3

>  <MolWeight> (1,034)
373.40456

>  <Cat> (1,034)
S6567

>  <Name> (1,034)
Src Inhibitor 1

>  <Synonyms> (1,034)
N/A

>  <Target> (1,034)
Src

>  <Form> (1,034)
free base

>  <CAS> (1,034)
179248-59-0

>  <URL> (1,034)
http://www.selleck.cn/products/src-inhibitor-1.html

$$$$

csChFnd80/08142011062D

 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> (1,035)
1036

>  <Formula> (1,035)
C19H20N4O3

>  <MolWeight> (1,035)
352.3871

>  <Cat> (1,035)
S6571

>  <Name> (1,035)
BQR695

>  <Synonyms> (1,035)
NVP-BQR695

>  <Target> (1,035)
PI4K

>  <Form> (1,035)
free base

>  <CAS> (1,035)
1513879-21-4

>  <URL> (1,035)
http://www.selleck.cn/products/bqr695.html

$$$$

csChFnd80/08142011062D

 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> (1,036)
1037

>  <Formula> (1,036)
C22H18ClN5O2

>  <MolWeight> (1,036)
419.86362

>  <Cat> (1,036)
S6574

>  <Name> (1,036)
KDU691

>  <Synonyms> (1,036)
N/A

>  <Target> (1,036)
PI4K

>  <Form> (1,036)
free base

>  <CAS> (1,036)
1513879-19-0

>  <URL> (1,036)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/08142011062D

 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> (1,037)
1038

>  <Formula> (1,037)
C20H25F3N6O3

>  <MolWeight> (1,037)
454.4461096

>  <Cat> (1,037)
S6577

>  <Name> (1,037)
PKC-theta inhibitor

>  <Synonyms> (1,037)
N/A

>  <Target> (1,037)
PKC

>  <Form> (1,037)
free base

>  <CAS> (1,037)
736048-65-0

>  <URL> (1,037)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/08142011062D

 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
   10.6542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4416    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0750    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7726    1.5897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3774    4.0063    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.2833    3.4956    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9866    2.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5554    3.4779    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  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 14 18  1  0  0  0  0
 11 12  1  0  0  0  0
 10 11  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  3 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,038)
1039

>  <Formula> (1,038)
C16H16F3N5

>  <MolWeight> (1,038)
335.3269496

>  <Cat> (1,038)
S6578

>  <Name> (1,038)
Longdaysin

>  <Synonyms> (1,038)
N/A

>  <Target> (1,038)
Casein Kinase

>  <Form> (1,038)
free base

>  <CAS> (1,038)
1353867-91-0

>  <URL> (1,038)
http://www.selleck.cn/products/longdaysin.html

$$$$

csChFnd80/08142011062D

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2244904-70-7

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943540-74-7

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M  END
>  <Mol_ID> (1,043)
1044

>  <Formula> (1,043)
C25H23N5O2S

>  <MolWeight> (1,043)
457.54742

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S8867

>  <Name> (1,043)
Bentamapimod

>  <Synonyms> (1,043)
N/A

>  <Target> (1,043)
JNK

>  <Form> (1,043)
free base

>  <CAS> (1,043)
848344-36-5

>  <URL> (1,043)
http://www.selleck.cn/products/bentamapimod.html

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csChFnd80/08142011062D

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>  <Mol_ID> (1,044)
1045

>  <Formula> (1,044)
C17H17BrF3N7O2S

>  <MolWeight> (1,044)
520.3267896

>  <Cat> (1,044)
S8872

>  <Name> (1,044)
GSK8612

>  <Synonyms> (1,044)
N/A

>  <Target> (1,044)
Serine/threonin kina

>  <Form> (1,044)
free base

>  <CAS> (1,044)
2361659-62-1

>  <URL> (1,044)
http://www.selleck.cn/products/gsk8612.html

$$$$

csChFnd80/08142011062D

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>  <Mol_ID> (1,045)
1046

>  <Formula> (1,045)
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>  <MolWeight> (1,045)
474.60116

>  <Cat> (1,045)
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>  <Name> (1,045)
G1T38

>  <Synonyms> (1,045)
Lerociclib

>  <Target> (1,045)
CDK

>  <Form> (1,045)
free base

>  <CAS> (1,045)
1628256-23-4

>  <URL> (1,045)
http://www.selleck.cn/products/g1t38.html

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ALK

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2137030-98-7

>  <URL> (1,046)
http://www.selleck.cn/products/ensartinib-dihydrochloride.html

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N/A

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VEGFR

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1125780-41-7

>  <URL> (1,047)
http://www.selleck.cn/products/sklb610.html

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csChFnd80/08142011062D

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374.23184

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N/A

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Free Base

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229476-53-3

>  <URL> (1,048)
http://www.selleck.cn/products/ebe-a22.html

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>  <Formula> (1,049)
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S6531

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Bohemine

>  <Synonyms> (1,049)
N/A

>  <Target> (1,049)
CDK

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Free Base

>  <CAS> (1,049)
189232-42-6

>  <URL> (1,049)
http://www.selleck.cn/products/bohemine.html

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1051

>  <Formula> (1,050)
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>  <Synonyms> (1,050)
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>  <Target> (1,050)
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>  <CAS> (1,050)
1191911-27-9

>  <URL> (1,050)
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THZ531

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CDK

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Free Base

>  <CAS> (1,055)
1702809-17-3

>  <URL> (1,055)
http://www.selleck.cn/products/thz531.html

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csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,056)
1057

>  <Formula> (1,056)
C10H5N3O3

>  <MolWeight> (1,056)
215.165

>  <Cat> (1,056)
S6596

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AG-126

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N/A

>  <Target> (1,056)
ERK

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Free Base

>  <CAS> (1,056)
118409-62-4

>  <URL> (1,056)
http://www.selleck.cn/products/ag-126.html

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csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,057)
1058

>  <Formula> (1,057)
C20H21N5O4

>  <MolWeight> (1,057)
395.41184

>  <Cat> (1,057)
S6598

>  <Name> (1,057)
IRAK-1-4 Inhibitor I

>  <Synonyms> (1,057)
N/A

>  <Target> (1,057)
TLR

>  <Form> (1,057)
Free Base

>  <CAS> (1,057)
509093-47-4

>  <URL> (1,057)
http://www.selleck.cn/products/irak-1-4-inhibitor-i.html

$$$$

csChFnd80/08142011062D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,058)
1059

>  <Formula> (1,058)
C22H21BrCl2N6O

>  <MolWeight> (1,058)
536.25174

>  <Cat> (1,058)
S6619

>  <Name> (1,058)
ABT 702 dihydrochloride

>  <Synonyms> (1,058)
N/A

>  <Target> (1,058)
Adenosine Receptor

>  <Form> (1,058)
Dihydrochloride

>  <CAS> (1,058)
1188890-28-9

>  <URL> (1,058)
http://www.selleck.cn/products/abt-702-dihydrochloride.html

$$$$

csChFnd80/08142011062D

 25 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,059)
1060

>  <Formula> (1,059)
C17H16N8

>  <MolWeight> (1,059)
332.36254

>  <Cat> (1,059)
S6623

>  <Name> (1,059)
APY29

>  <Synonyms> (1,059)
N/A

>  <Target> (1,059)
IRE1

>  <Form> (1,059)
Free Base

>  <CAS> (1,059)
1216665-49-4

>  <URL> (1,059)
http://www.selleck.cn/products/apy29.html

$$$$

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1067

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C22H21N5O

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>  <Synonyms> (1,066)
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>  <Target> (1,066)
BTK

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330786-25-9

>  <URL> (1,066)
http://www.selleck.cn/products/pci-29732.html

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 26 28  0  0  0  0  0  0  0  0999 V2000
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1068

>  <Formula> (1,067)
C21H23ClFNO2

>  <MolWeight> (1,067)
375.8642232

>  <Cat> (1,067)
S6727

>  <Name> (1,067)
AX-024 HCl

>  <Synonyms> (1,067)
N/A

>  <Target> (1,067)
CDK

>  <Form> (1,067)
Hydrochloride

>  <CAS> (1,067)
1704801-24-0

>  <URL> (1,067)
http://www.selleck.cn/products/ax-024-hcl.html

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csChFnd80/08142011062D

 30 33  0  0  0  0  0  0  0  0999 V2000
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1069

>  <Formula> (1,068)
C22H25ClN6O

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>  <Cat> (1,068)
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>  <Name> (1,068)
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>  <Synonyms> (1,068)
N/A

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JNK

>  <Form> (1,068)
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>  <CAS> (1,068)
1438391-30-0

>  <URL> (1,068)
http://www.selleck.cn/products/cc-401-hydrochloride.html

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38136-70-8

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429653-73-6

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>  <CAS> (1,081)
1303420-67-8

>  <URL> (1,081)
http://www.selleck.cn/products/plx5622.html

$$$$

csChFnd80/08142011062D

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 25 26  1  0  0  0  0
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 26 31  2  0  0  0  0
 33 34  2  0  0  0  0
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 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (1,082)
1083

>  <Formula> (1,082)
C29H38N8O2

>  <MolWeight> (1,082)
530.66442

>  <Cat> (1,082)
S8899

>  <Name> (1,082)
FF-10101

>  <Synonyms> (1,082)
N/A

>  <Target> (1,082)
FLT3

>  <Form> (1,082)
Free Base

>  <CAS> (1,082)
1472797-69-5

>  <URL> (1,082)
http://www.selleck.cn/products/ff-10101.html

$$$$

csChFnd80/08142011062D

 40 42  0  0  0  0  0  0  0  0999 V2000
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    0.0000    9.7250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.7250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622   10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,083)
1084

>  <Formula> (1,083)
C29H34FN5O5

>  <MolWeight> (1,083)
551.6091632

>  <Cat> (1,083)
S8901

>  <Name> (1,083)
DS-6051b

>  <Synonyms> (1,083)
N/A

>  <Target> (1,083)
ROS

>  <Form> (1,083)
Free Base

>  <CAS> (1,083)
1505515-69-4

>  <URL> (1,083)
http://www.selleck.cn/products/ds-6051b.html

$$$$

csChFnd80/08142011062D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 15 10  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,084)
1085

>  <Formula> (1,084)
C21H25N3O4

>  <MolWeight> (1,084)
383.4409

>  <Cat> (1,084)
S2184

>  <Name> (1,084)
WDR5-0103

>  <Synonyms> (1,084)
WD-Repeat Protein 5-0103

>  <Target> (1,084)
Histone Methyltransferase

>  <Form> (1,084)
Free Base

>  <CAS> (1,084)
890190-22-4

>  <URL> (1,084)
http://www.selleck.cn/products/wdr5-0103.html

$$$$

csChFnd80/08142011062D

 21 20  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.1001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0624    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5497    1.4002    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
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  6  0  0  0
  2 21  1  1  0  0  0
M  END
>  <Mol_ID> (1,085)
1086

>  <Formula> (1,085)
C18H37NO2

>  <MolWeight> (1,085)
299.49188

>  <Cat> (1,085)
S2210

>  <Name> (1,085)
Sphingosine

>  <Synonyms> (1,085)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (1,085)
Others

>  <Form> (1,085)
Free Base

>  <CAS> (1,085)
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334951-90-5

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>  <Formula> (1,090)
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>  <MolWeight> (1,090)
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>  <Cat> (1,090)
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>  <Synonyms> (1,090)
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>  <Target> (1,090)
MNK

>  <Form> (1,090)
Free Base

>  <CAS> (1,090)
1464151-33-4

>  <URL> (1,090)
http://www.selleck.cn/products/etc-206.html

$$$$

csChFnd80/08142011062D

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1092

>  <Formula> (1,091)
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>  <MolWeight> (1,091)
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>  <Cat> (1,091)
S6660

>  <Name> (1,091)
B-Raf inhibitor 1 dihydrochlorid

>  <Synonyms> (1,091)
N/A

>  <Target> (1,091)
Raf

>  <Form> (1,091)
Dihydrochloride

>  <CAS> (1,091)
1191385-19-9

>  <URL> (1,091)
http://www.selleck.cn/products/b-raf-inhibitor-1-dihydrochlorid.html

$$$$

csChFnd80/08142011062D

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>  <Formula> (1,092)
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>  <MolWeight> (1,092)
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>  <Cat> (1,092)
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>  <Name> (1,092)
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>  <Synonyms> (1,092)
N/A

>  <Target> (1,092)
FLT3

>  <Form> (1,092)
Free Base

>  <CAS> (1,092)
630124-46-8

>  <URL> (1,092)
http://www.selleck.cn/products/ast-487.html

$$$$

csChFnd80/08142011062D

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1094

>  <Formula> (1,093)
C23H19ClF2N2O3

>  <MolWeight> (1,093)
444.8583664

>  <Cat> (1,093)
S6673

>  <Name> (1,093)
CCG-222740

>  <Synonyms> (1,093)
N/A

>  <Target> (1,093)
Rho

>  <Form> (1,093)
Free Base

>  <CAS> (1,093)
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1402608-02-9

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http://www.selleck.cn/products/gsk2983559-compound-3.html

$$$$

csChFnd80/08142011062D

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1099

>  <Formula> (1,098)
C33H40O18

>  <MolWeight> (1,098)
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>  <Cat> (1,098)
S9096

>  <Name> (1,098)
ligustroflavone

>  <Synonyms> (1,098)
Nuezhenoside

>  <Target> (1,098)
AMPK

>  <Form> (1,098)
Free Base

>  <CAS> (1,098)
260413-62-5

>  <URL> (1,098)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/08142011062D

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>  <Mol_ID> (1,099)
1100

>  <Formula> (1,099)
C42H66O14

>  <MolWeight> (1,099)
794.96504

>  <Cat> (1,099)
S9116

>  <Name> (1,099)
Chikusetsusaponin Iva

>  <Synonyms> (1,099)
Calenduloside F

>  <Target> (1,099)
Immunology & Inflammation related

>  <Form> (1,099)
Free Base

>  <CAS> (1,099)
51415-02-2

>  <URL> (1,099)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

csChFnd80/08142011062D

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M  END
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1101

>  <Formula> (1,100)
C42H72O13

>  <MolWeight> (1,100)
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>  <Cat> (1,100)
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>  <Name> (1,100)
(20S)Ginsenoside Rg2

>  <Synonyms> (1,100)
N/A

>  <Target> (1,100)
Others

>  <Form> (1,100)
Free Base

>  <CAS> (1,100)
52286-74-5

>  <URL> (1,100)
http://www.selleck.cn/products/20s-ginsenoside-rg2.html

$$$$

csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,101)
1102

>  <Formula> (1,101)
C45H73NO15

>  <MolWeight> (1,101)
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>  <Cat> (1,101)
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>  <Name> (1,101)
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>  <Synonyms> (1,101)
N/A

>  <Target> (1,101)
P-gp

>  <Form> (1,101)
Free Base

>  <CAS> (1,101)
20311-51-7

>  <URL> (1,101)
http://www.selleck.cn/products/solamargine.html

$$$$

csChFnd80/08142011062D

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M  END
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1103

>  <Formula> (1,102)
C32H42O16

>  <MolWeight> (1,102)
682.66628

>  <Cat> (1,102)
S9215

>  <Name> (1,102)
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>  <Synonyms> (1,102)
N/A

>  <Target> (1,102)
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>  <Form> (1,102)
Free Base

>  <CAS> (1,102)
63902-38-5

>  <URL> (1,102)
http://www.selleck.cn/products/pinoresinol-diglucoside.html

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csChFnd80/08142011062D

 39 43  0  0  0  0  0  0  0  0999 V2000
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1104

>  <Formula> (1,103)
C29H28F3N5O2

>  <MolWeight> (1,103)
535.5601296

>  <Cat> (1,103)
S2213

>  <Name> (1,103)
AMG-47a

>  <Synonyms> (1,103)
N/A

>  <Target> (1,103)
Src

>  <Form> (1,103)
Free Base

>  <CAS> (1,103)
882663-88-9

>  <URL> (1,103)
http://www.selleck.cn/products/.html

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csChFnd80/08142011062D

 21 23  0  0  0  0  0  0  0  0999 V2000
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1105

>  <Formula> (1,104)
C17H15NO3

>  <MolWeight> (1,104)
281.3059

>  <Cat> (1,104)
S2272

>  <Name> (1,104)
Indoprofen

>  <Synonyms> (1,104)
N/A

>  <Target> (1,104)
PDK

>  <Form> (1,104)
Free Base

>  <CAS> (1,104)
31842-01-0

>  <URL> (1,104)
http://www.selleck.cn/products/indoprofen.html

$$$$

csChFnd80/08142011062D

 34 39  0  0  0  0  0  0  0  0999 V2000
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1106

>  <Formula> (1,105)
C21H20Cl2N10O

>  <MolWeight> (1,105)
499.3559

>  <Cat> (1,105)
S8894

>  <Name> (1,105)
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>  <Synonyms> (1,105)
N/A

>  <Target> (1,105)
CDK

>  <Form> (1,105)
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>  <CAS> (1,105)
2387704-62-1

>  <URL> (1,105)
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csChFnd80/08142011062D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,106)
1107

>  <Formula> (1,106)
C16H14Cl2N8O

>  <MolWeight> (1,106)
405.24136

>  <Cat> (1,106)
S8903

>  <Name> (1,106)
AS2863619

>  <Synonyms> (1,106)
N/A

>  <Target> (1,106)
CDK

>  <Form> (1,106)
Free Base

>  <CAS> (1,106)
2241300-51-4

>  <URL> (1,106)
http://www.selleckchem.com/products/as2863619.html

$$$$

csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,107)
1108

>  <Formula> (1,107)
C28H31N7O3

>  <MolWeight> (1,107)
513.59084

>  <Cat> (1,107)
S8922

>  <Name> (1,107)
TBK1/IKK¦Å-IN-1(compound 1)

>  <Synonyms> (1,107)
N/A

>  <Target> (1,107)
I¦ÊB/IKK

>  <Form> (1,107)
Free Base

>  <CAS> (1,107)
1893397-65-3

>  <URL> (1,107)
http://www.selleckchem.com/products/tbk1-IKKe-in-1-compound1.html

$$$$

csChFnd80/08142011062D

 42 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,108)
1109

>  <Formula> (1,108)
C32H26N4O6

>  <MolWeight> (1,108)
562.57204

>  <Cat> (1,108)
S8933

>  <Name> (1,108)
ONO-7475

>  <Synonyms> (1,108)
N/A

>  <Target> (1,108)
TAM Receptor

>  <Form> (1,108)
Free Base

>  <CAS> (1,108)
1646839-59-9

>  <URL> (1,108)
http://www.selleckchem.com/products/ono-7475.html

$$$$

csChFnd80/08142011062D

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>  <Target> (1,109)
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>  <Form> (1,109)
Free Base

>  <CAS> (1,109)
1891087-61-8

>  <URL> (1,109)
http://www.selleckchem.com/products/bay-1816032.html

$$$$

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>  <Mol_ID> (1,110)
1111

>  <Formula> (1,110)
C46H51F3N6O8S2

>  <MolWeight> (1,110)
937.0577496

>  <Cat> (1,110)
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>  <Name> (1,110)
ASP4132

>  <Synonyms> (1,110)
N/A

>  <Target> (1,110)
AMPK

>  <Form> (1,110)
Free Base

>  <CAS> (1,110)
1640294-30-9

>  <URL> (1,110)
http://www.selleckchem.com/products/asp4132.html

$$$$

csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,111)
1112

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C19H19N5

>  <MolWeight> (1,111)
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>  <Cat> (1,111)
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1-Naphthyl PP1(1-NA-PP1)

>  <Synonyms> (1,111)
N/A

>  <Target> (1,111)
Src

>  <Form> (1,111)
Free Base

>  <CAS> (1,111)
221243-82-9

>  <URL> (1,111)
http://www.selleckchem.com/products/1-na-pp1.html

$$$$

csChFnd80/08142011062D

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>  <Mol_ID> (1,112)
1113

>  <Formula> (1,112)
C20H13FN4O2

>  <MolWeight> (1,112)
360.3412232

>  <Cat> (1,112)
S5183

>  <Name> (1,112)
PD 169316

>  <Synonyms> (1,112)
N/A

>  <Target> (1,112)
p38 MAPK

>  <Form> (1,112)
Free Base

>  <CAS> (1,112)
152121-53-4

>  <URL> (1,112)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/08142011062D

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p38 MAPK

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>  <CAS> (1,117)
1784751-19-4

>  <URL> (1,117)
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>  <Mol_ID> (1,118)
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>  <Formula> (1,118)
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>  <MolWeight> (1,118)
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N/A

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VEGFR

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Free Base

>  <CAS> (1,118)
3476-86-6

>  <URL> (1,118)
http://www.selleckchem.com/products/su-5205.html

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csChFnd80/08142011062D

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>  <Mol_ID> (1,119)
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N/A

>  <Target> (1,119)
EGFR

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Free Base

>  <CAS> (1,119)
186611-04-1

>  <URL> (1,119)
http://www.selleckchem.com/products/su-5214.html

$$$$

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1121

>  <Formula> (1,120)
C32H39N7O4

>  <MolWeight> (1,120)
585.69656

>  <Cat> (1,120)
S6813

>  <Name> (1,120)
Mobocertinib (TAK788)

>  <Synonyms> (1,120)
AP32788

>  <Target> (1,120)
EGFR

>  <Form> (1,120)
Free Base

>  <CAS> (1,120)
1847461-43-1

>  <URL> (1,120)
http://www.selleckchem.com/products/tak788.html

$$$$

csChFnd80/08142011062D

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EGFR

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>  <CAS> (1,121)
879127-07-8

>  <URL> (1,121)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

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1123

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C26H34N6O3S

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510.65156

>  <Cat> (1,122)
S0391

>  <Name> (1,122)
TG-89

>  <Synonyms> (1,122)
N/A

>  <Target> (1,122)
JAK

>  <Form> (1,122)
Free Base

>  <CAS> (1,122)
936091-56-4

>  <URL> (1,122)
http://www.selleckchem.com/products/tg-89.html

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csChFnd80/08142011062D

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>  <Mol_ID> (1,123)
1124

>  <Formula> (1,123)
C24H28N6O3S

>  <MolWeight> (1,123)
480.58252

>  <Cat> (1,123)
S0487

>  <Name> (1,123)
Sulfatinib

>  <Synonyms> (1,123)
HMPL-012, Sufatinib, Surfatinib

>  <Target> (1,123)
CSF-1R

>  <Form> (1,123)
Free Base

>  <CAS> (1,123)
1308672-74-3

>  <URL> (1,123)
http://www.selleckchem.com/products/sulfatinib.html

$$$$

csChFnd80/08142011062D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,124)
1125

>  <Formula> (1,124)
C20H25ClN6O3

>  <MolWeight> (1,124)
432.9039

>  <Cat> (1,124)
S0500

>  <Name> (1,124)
Purvalanol B

>  <Synonyms> (1,124)
NG 95

>  <Target> (1,124)
CDK

>  <Form> (1,124)
Free Base

>  <CAS> (1,124)
212844-54-7

>  <URL> (1,124)
http://www.selleckchem.com/products/purvalanol-b-ng-95.html

$$$$

csChFnd80/08142011062D

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1126

>  <Formula> (1,125)
C14H10BrNOS

>  <MolWeight> (1,125)
320.2043

>  <Cat> (1,125)
S0523

>  <Name> (1,125)
SB?4

>  <Synonyms> (1,125)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (1,125)
TGF-beta/Smad

>  <Form> (1,125)
Free Base

>  <CAS> (1,125)
100874-08-6

>  <URL> (1,125)
http://www.selleckchem.com/products/sb-4.html

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Pim

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491871-58-0

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http://www.selleckchem.com/products/tcs-pim-1-1.html

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C18H14N2O3

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EGFR

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Free Base

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133550-49-9

>  <URL> (1,127)
http://www.selleckchem.com/products/tyrphostin-ag-528.html

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csChFnd80/08142011062D

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TH-257

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LIM kinase

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Free Base

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2244678-29-1

>  <URL> (1,128)
http://www.selleckchem.com/products/th-257.html

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LIM kinase

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2097938-51-5

>  <URL> (1,129)
http://www.selleckchem.com/products/r-10015.html

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1013920-15-4

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ALK

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909910-43-6

>  <URL> (1,132)
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894804-07-0

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PKC

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82-08-6

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CDK

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1604810-84-5

>  <URL> (1,135)
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1927857-56-4

>  <URL> (1,136)
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BSJ-03-123

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BSJ

>  <Target> (1,137)
CDK

>  <Form> (1,137)
Free Base

>  <CAS> (1,137)
2361493-16-3

>  <URL> (1,137)
http://www.selleckchem.com/products/bsj-03-123.html

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csChFnd80/08142011062D

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>  <Mol_ID> (1,138)
1139

>  <Formula> (1,138)
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>  <MolWeight> (1,138)
361.34596

>  <Cat> (1,138)
S8875

>  <Name> (1,138)
MKC8866

>  <Synonyms> (1,138)
IRE1-IN-8866

>  <Target> (1,138)
IRE1

>  <Form> (1,138)
Free Base

>  <CAS> (1,138)
1338934-59-0

>  <URL> (1,138)
http://www.selleckchem.com/products/mkc8866.html

$$$$
AY-20590
csChFnd80/08142011062D

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>  <Mol_ID> (1,139)
1140

>  <Formula> (1,139)
C16H10N2O2

>  <MolWeight> (1,139)
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>  <Cat> (1,139)
P3252

>  <Name> (1,139)
AY-20590

>  <Synonyms> (1,139)
N/A

>  <Target> (1,139)
Mcl-1,Anti-infection,PDGFR

>  <Form> (1,139)
free base

>  <CAS> (1,139)
57490-73-0

>  <URL> (1,139)
N/A

$$$$
WAY-313218
csChFnd80/08142011062D

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1141

>  <Formula> (1,140)
C19H20FNO

>  <MolWeight> (1,140)
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>  <Cat> (1,140)
P3321

>  <Name> (1,140)
WAY-313218

>  <Synonyms> (1,140)
N/A

>  <Target> (1,140)
11¦Â-HSD1 

>  <Form> (1,140)
free base

>  <CAS> (1,140)
260428-69-1

>  <URL> (1,140)
N/A

$$$$
WAY-313013
csChFnd80/08142011062D

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>  <Mol_ID> (1,141)
1142

>  <Formula> (1,141)
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>  <MolWeight> (1,141)
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>  <Cat> (1,141)
P3319

>  <Name> (1,141)
WAY-313013

>  <Synonyms> (1,141)
N/A

>  <Target> (1,141)
p38,histamine-3 (H3) receptor

>  <Form> (1,141)
free base

>  <CAS> (1,141)
326898-76-4

>  <URL> (1,141)
N/A

$$$$
GI-560708
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,142)
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>  <Formula> (1,142)
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>  <MolWeight> (1,142)
346.38252

>  <Cat> (1,142)
P3258

>  <Name> (1,142)
GI-560708

>  <Synonyms> (1,142)
N/A

>  <Target> (1,142)
BCR-ABL 

>  <Form> (1,142)
free base

>  <CAS> (1,142)
2362-25-6

>  <URL> (1,142)
N/A

$$$$
WAY-345438
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,143)
1144

>  <Formula> (1,143)
C24H19N3O2S

>  <MolWeight> (1,143)
413.49156

>  <Cat> (1,143)
P3390

>  <Name> (1,143)
WAY-345438

>  <Synonyms> (1,143)
N/A

>  <Target> (1,143)
Casein kinase 1¦Ä

>  <Form> (1,143)
free base

>  <CAS> (1,143)
571174-12-4

>  <URL> (1,143)
N/A

$$$$
WAY-311066
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,144)
1145

>  <Formula> (1,144)
C21H17N3O3

>  <MolWeight> (1,144)
359.37798

>  <Cat> (1,144)
P3314

>  <Name> (1,144)
WAY-311066

>  <Synonyms> (1,144)
N/A

>  <Target> (1,144)
Casein kinase 1¦Ä

>  <Form> (1,144)
free base

>  <CAS> (1,144)
332074-85-8

>  <URL> (1,144)
N/A

$$$$
WAY-312567
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,145)
1146

>  <Formula> (1,145)
C16H20N2O2S

>  <MolWeight> (1,145)
304.4072

>  <Cat> (1,145)
P3317

>  <Name> (1,145)
WAY-312567

>  <Synonyms> (1,145)
N/A

>  <Target> (1,145)
Anti-infection

>  <Form> (1,145)
free base

>  <CAS> (1,145)
330955-59-4

>  <URL> (1,145)
N/A

$$$$
WAY-312157
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,146)
1147

>  <Formula> (1,146)
C14H18N2O2S

>  <MolWeight> (1,146)
278.36992

>  <Cat> (1,146)
P3316

>  <Name> (1,146)
WAY-312157

>  <Synonyms> (1,146)
N/A

>  <Target> (1,146)
ATP-utilizing enzyme

>  <Form> (1,146)
free base

>  <CAS> (1,146)
354544-70-0

>  <URL> (1,146)
N/A

$$$$
WAY-114228
csChFnd80/08142011062D

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>  <Synonyms> (1,147)
N/A

>  <Target> (1,147)
MEK1

>  <Form> (1,147)
free base

>  <CAS> (1,147)
333325-96-5

>  <URL> (1,147)
N/A

$$$$
WAY-239320
csChFnd80/08142011062D

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>  <Synonyms> (1,148)
N/A

>  <Target> (1,148)
Chk1,Aurora kinase,Adenosine Kinase

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free base

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378775-98-5

>  <URL> (1,148)
N/A

$$$$
WAY-248134
csChFnd80/08142011062D

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free base

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67795-42-0

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N/A

$$$$
WAY-296817
csChFnd80/08142011062D

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>  <Formula> (1,150)
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>  <Name> (1,150)
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>  <Synonyms> (1,150)
N/A

>  <Target> (1,150)
casein kinase 1

>  <Form> (1,150)
free base

>  <CAS> (1,150)
349438-74-0

>  <URL> (1,150)
N/A

$$$$
WAY-296818
csChFnd80/08142011062D

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1152

>  <Formula> (1,151)
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>  <MolWeight> (1,151)
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>  <Name> (1,151)
WAY-296818

>  <Synonyms> (1,151)
N/A

>  <Target> (1,151)
casein kinase 1

>  <Form> (1,151)
free base

>  <CAS> (1,151)
349438-77-3

>  <URL> (1,151)
N/A

$$$$
WAY-635764
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M  END
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N/A

>  <Target> (1,152)
Aurora kinase A

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free base

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790267-88-8

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N/A

$$$$
WAY-271146
csChFnd80/08142011062D

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1154

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WAY-271146

>  <Synonyms> (1,153)
N/A

>  <Target> (1,153)
VEGFR

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free base

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683235-33-8

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N/A

$$$$
WAY-271147
csChFnd80/08142011062D

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>  <Mol_ID> (1,154)
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C17H12N2O4

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>  <Name> (1,154)
WAY-271147

>  <Synonyms> (1,154)
N/A

>  <Target> (1,154)
VEGFR

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free base

>  <CAS> (1,154)
683235-34-9

>  <URL> (1,154)
N/A

$$$$
WAY-600632
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,155)
1156

>  <Formula> (1,155)
C14H9N3O2S2

>  <MolWeight> (1,155)
315.37016

>  <Cat> (1,155)
P3423

>  <Name> (1,155)
WAY-600632

>  <Synonyms> (1,155)
N/A

>  <Target> (1,155)
Casein kinase 1¦Ä

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free base

>  <CAS> (1,155)
438018-70-3

>  <URL> (1,155)
N/A

$$$$
WAY-601258
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,156)
1157

>  <Formula> (1,156)
C13H12N4OS2

>  <MolWeight> (1,156)
304.39058

>  <Cat> (1,156)
P3428

>  <Name> (1,156)
WAY-601258

>  <Synonyms> (1,156)
N/A

>  <Target> (1,156)
Anti-infection

>  <Form> (1,156)
free base

>  <CAS> (1,156)
496023-52-0

>  <URL> (1,156)
N/A

$$$$
WAY-601323
csChFnd80/08142011062D

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>  <Mol_ID> (1,157)
1158

>  <Formula> (1,157)
C16H18N4O2

>  <MolWeight> (1,157)
298.33972

>  <Cat> (1,157)
P3429

>  <Name> (1,157)
WAY-601323

>  <Synonyms> (1,157)
N/A

>  <Target> (1,157)
CDK9 

>  <Form> (1,157)
free base

>  <CAS> (1,157)
324778-48-5

>  <URL> (1,157)
N/A

$$$$
WAY-600704-A
csChFnd80/08142011062D

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>  <Mol_ID> (1,158)
1159

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WAY-600704

>  <Synonyms> (1,158)
N/A

>  <Target> (1,158)
ethanolamine kinase

>  <Form> (1,158)
free base

>  <CAS> (1,158)
301330-94-9

>  <URL> (1,158)
N/A

$$$$
WAY-600868
csChFnd80/08142011062D

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>  <Mol_ID> (1,159)
1160

>  <Formula> (1,159)
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>  <Synonyms> (1,159)
N/A

>  <Target> (1,159)
FGFR3

>  <Form> (1,159)
free base

>  <CAS> (1,159)
348-45-8

>  <URL> (1,159)
N/A

$$$$
WAY-601017
csChFnd80/08142011062D

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>  <Mol_ID> (1,160)
1161

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C25H22N6O3S

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WAY-601017

>  <Synonyms> (1,160)
N/A

>  <Target> (1,160)
 PI3K

>  <Form> (1,160)
free base

>  <CAS> (1,160)
300375-81-9

>  <URL> (1,160)
N/A

$$$$
WAY-601035
csChFnd80/08142011062D

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>  <Mol_ID> (1,161)
1162

>  <Formula> (1,161)
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>  <Name> (1,161)
WAY-601035

>  <Synonyms> (1,161)
N/A

>  <Target> (1,161)
 PI3K

>  <Form> (1,161)
free base

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304645-61-2

>  <URL> (1,161)
N/A

$$$$
WAY-614915
csChFnd80/08142011062D

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>  <Mol_ID> (1,162)
1163

>  <Formula> (1,162)
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>  <MolWeight> (1,162)
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>  <Cat> (1,162)
P3452

>  <Name> (1,162)
WAY-614915

>  <Synonyms> (1,162)
N/A

>  <Target> (1,162)
Casein kinase 1¦Ä

>  <Form> (1,162)
free base

>  <CAS> (1,162)
450394-66-8

>  <URL> (1,162)
N/A

$$$$
WAY-615029
csChFnd80/08142011062D

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M  END
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WAY-615029

>  <Synonyms> (1,163)
N/A

>  <Target> (1,163)
Kinase

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free base

>  <CAS> (1,163)
730945-59-2

>  <URL> (1,163)
N/A

$$$$
WAY-632613
csChFnd80/08142011062D

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>  <Mol_ID> (1,164)
1165

>  <Formula> (1,164)
C15H14N2O3S

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302.34826

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P3476

>  <Name> (1,164)
WAY-632613

>  <Synonyms> (1,164)
N/A

>  <Target> (1,164)
p38

>  <Form> (1,164)
free base

>  <CAS> (1,164)
731816-85-6

>  <URL> (1,164)
N/A

$$$$
WAY-632896
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,165)
1166

>  <Formula> (1,165)
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>  <MolWeight> (1,165)
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>  <Name> (1,165)
WAY-632896

>  <Synonyms> (1,165)
N/A

>  <Target> (1,165)
CDK9,GSK-3

>  <Form> (1,165)
free base

>  <CAS> (1,165)
784170-07-6

>  <URL> (1,165)
N/A

$$$$
WAY-632963-A
csChFnd80/08142011062D

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 10  7  2  0  0  0  0
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M  END
>  <Mol_ID> (1,166)
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>  <Formula> (1,166)
C11H12ClN3O

>  <MolWeight> (1,166)
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P3478

>  <Name> (1,166)
WAY-632963

>  <Synonyms> (1,166)
N/A

>  <Target> (1,166)
Aurora kinase A

>  <Form> (1,166)
free base

>  <CAS> (1,166)
900640-73-5

>  <URL> (1,166)
N/A

$$$$
WAY-633334
csChFnd80/08142011062D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11  1  1  0  0  0  0
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 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,167)
1168

>  <Formula> (1,167)
C15H15N3O2S

>  <MolWeight> (1,167)
301.3635

>  <Cat> (1,167)
P3479

>  <Name> (1,167)
WAY-633334

>  <Synonyms> (1,167)
N/A

>  <Target> (1,167)
Casein kinase 1¦Ä

>  <Form> (1,167)
free base

>  <CAS> (1,167)
757224-44-5

>  <URL> (1,167)
N/A

$$$$
WAY-633877
csChFnd80/08142011062D

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>  <Mol_ID> (1,168)
1169

>  <Formula> (1,168)
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>  <MolWeight> (1,168)
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WAY-633877

>  <Synonyms> (1,168)
N/A

>  <Target> (1,168)
Casein kinase 1¦Ä

>  <Form> (1,168)
free base

>  <CAS> (1,168)
782452-74-8

>  <URL> (1,168)
N/A

$$$$
WAY-652435
csChFnd80/08142011062D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  5  4  1  0  0  0  0
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M  END
>  <Mol_ID> (1,169)
1170

>  <Formula> (1,169)
C9H15N3O

>  <MolWeight> (1,169)
181.2349

>  <Cat> (1,169)
P3514

>  <Name> (1,169)
WAY-652435

>  <Synonyms> (1,169)
N/A

>  <Target> (1,169)
P2Y12,tankyrase,Aurora Kinase

>  <Form> (1,169)
free base

>  <CAS> (1,169)
173850-51-6

>  <URL> (1,169)
N/A

$$$$
WAY-652509
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,170)
1171

>  <Formula> (1,170)
C15H12ClN3

>  <MolWeight> (1,170)
269.72888

>  <Cat> (1,170)
P3515

>  <Name> (1,170)
WAY-652509

>  <Synonyms> (1,170)
N/A

>  <Target> (1,170)
quinone reductase 2,Casein kinase 1¦Ä

>  <Form> (1,170)
free base

>  <CAS> (1,170)
854355-54-7

>  <URL> (1,170)
N/A

$$$$
WAY-652641
csChFnd80/08142011062D

 14 14  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
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 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,171)
1172

>  <Formula> (1,171)
C9H14N2O3

>  <MolWeight> (1,171)
198.21906

>  <Cat> (1,171)
P3516

>  <Name> (1,171)
WAY-652641

>  <Synonyms> (1,171)
N/A

>  <Target> (1,171)
CDK

>  <Form> (1,171)
free base

>  <CAS> (1,171)
852851-73-1

>  <URL> (1,171)
N/A

$$$$
WAY-652848
csChFnd80/08142011062D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  2  0  0  0  0
 16  9  1  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
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 20 24  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23 12  1  0  0  0  0
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 25 21  1  0  0  0  0
 13 12  2  0  0  0  0
 16 14  2  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,172)
1173

>  <Formula> (1,172)
C17H17F3N2O3

>  <MolWeight> (1,172)
354.3236896

>  <Cat> (1,172)
P3517

>  <Name> (1,172)
WAY-652848

>  <Synonyms> (1,172)
N/A

>  <Target> (1,172)
SRPK kinase 

>  <Form> (1,172)
free base

>  <CAS> (1,172)
848057-98-7

>  <URL> (1,172)
N/A

$$$$
WAY-653005
csChFnd80/08142011062D

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 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,173)
1174

>  <Formula> (1,173)
C11H15NO

>  <MolWeight> (1,173)
177.2429

>  <Cat> (1,173)
P3518

>  <Name> (1,173)
WAY-653005

>  <Synonyms> (1,173)
N/A

>  <Target> (1,173)
others

>  <Form> (1,173)
free base

>  <CAS> (1,173)
74190-66-2

>  <URL> (1,173)
N/A

$$$$
WAY-271413
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,174)
1175

>  <Formula> (1,174)
C20H15N3O4S

>  <MolWeight> (1,174)
393.4158

>  <Cat> (1,174)
P3282

>  <Name> (1,174)
WAY-271413

>  <Synonyms> (1,174)
N/A

>  <Target> (1,174)
GSK-3¦Â

>  <Form> (1,174)
free base

>  <CAS> (1,174)
536731-65-4

>  <URL> (1,174)
N/A

$$$$
WAY-271999
csChFnd80/08142011062D

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c-Met

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free base

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147920-34-1

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N/A

$$$$
WAY-272077
csChFnd80/08142011062D

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>  <Mol_ID> (1,176)
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WAY-272077

>  <Synonyms> (1,176)
N/A

>  <Target> (1,176)
sphingosine kinase

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free base

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1415662-57-5

>  <URL> (1,176)
N/A

$$$$
WAY-272130
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,177)
1178

>  <Formula> (1,177)
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P3285

>  <Name> (1,177)
WAY-272130

>  <Synonyms> (1,177)
N/A

>  <Target> (1,177)
FGFR1

>  <Form> (1,177)
free base

>  <CAS> (1,177)
442534-83-0

>  <URL> (1,177)
N/A

$$$$
WAY-272324
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,178)
1179

>  <Formula> (1,178)
C16H11NO5S

>  <MolWeight> (1,178)
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>  <Cat> (1,178)
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>  <Name> (1,178)
WAY-272324

>  <Synonyms> (1,178)
N/A

>  <Target> (1,178)
 PI3K

>  <Form> (1,178)
free base

>  <CAS> (1,178)
900515-01-7

>  <URL> (1,178)
N/A

$$$$
WAY-272449
csChFnd80/08142011062D

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1180

>  <Formula> (1,179)
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>  <MolWeight> (1,179)
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>  <Cat> (1,179)
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>  <Name> (1,179)
WAY-272449

>  <Synonyms> (1,179)
N/A

>  <Target> (1,179)
FGFR1

>  <Form> (1,179)
free base

>  <CAS> (1,179)
670266-26-9

>  <URL> (1,179)
N/A

$$$$
WAY-272589
csChFnd80/08142011062D

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 22 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,180)
1181

>  <Formula> (1,180)
C16H15N3O2S2

>  <MolWeight> (1,180)
345.4392

>  <Cat> (1,180)
P3288

>  <Name> (1,180)
WAY-272589

>  <Synonyms> (1,180)
N/A

>  <Target> (1,180)
pin1

>  <Form> (1,180)
free base

>  <CAS> (1,180)
637325-53-2

>  <URL> (1,180)
N/A

$$$$
WAY-320008
csChFnd80/08142011062D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  8 14  2  0  0  0  0
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 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  2  0  0  0  0
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 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
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 23 24  1  0  0  0  0
  9 10  2  0  0  0  0
 12 16  1  0  0  0  0
 14 18  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,181)
1182

>  <Formula> (1,181)
C20H16N4

>  <MolWeight> (1,181)
312.36784

>  <Cat> (1,181)
P3322

>  <Name> (1,181)
WAY-320008

>  <Synonyms> (1,181)
N/A

>  <Target> (1,181)
tropomyosin-related kinase a

>  <Form> (1,181)
free base

>  <CAS> (1,181)
128889-33-8

>  <URL> (1,181)
N/A

$$$$
WAY-320426
csChFnd80/08142011062D

 20 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  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> (1,182)
1183

>  <Formula> (1,182)
C14H14ClN3O2

>  <MolWeight> (1,182)
291.73286

>  <Cat> (1,182)
P3326

>  <Name> (1,182)
WAY-320426

>  <Synonyms> (1,182)
N/A

>  <Target> (1,182)
Anti-infection

>  <Form> (1,182)
free base

>  <CAS> (1,182)
312601-47-1

>  <URL> (1,182)
N/A

$$$$
WAY-635767
csChFnd80/08142011062D

 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
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 17 14  1  0  0  0  0
  3  5  1  0  0  0  0
 15 14  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,183)
1184

>  <Formula> (1,183)
C12H12ClN3O

>  <MolWeight> (1,183)
249.69618

>  <Cat> (1,183)
P3488

>  <Name> (1,183)
WAY-635767

>  <Synonyms> (1,183)
N/A

>  <Target> (1,183)
Aurora kinase A

>  <Form> (1,183)
free base

>  <CAS> (1,183)
790232-33-6

>  <URL> (1,183)
N/A

$$$$
WAY-654447
csChFnd80/08142011062D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 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
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 22 21  1  0  0  0  0
  8  5  1  0  0  0  0
 22 19  2  0  0  0  0
  9 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,184)
1185

>  <Formula> (1,184)
C16H14N4O2

>  <MolWeight> (1,184)
294.30796

>  <Cat> (1,184)
P3519

>  <Name> (1,184)
WAY-654447

>  <Synonyms> (1,184)
N/A

>  <Target> (1,184)
FLT3,Androgen Receptor

>  <Form> (1,184)
free base

>  <CAS> (1,184)
852304-07-5

>  <URL> (1,184)
N/A

$$$$
CL-16859
csChFnd80/08142011062D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
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 17 18  1  0  0  0  0
  8 10  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,185)
1186

>  <Formula> (1,185)
C14H20N2O2

>  <MolWeight> (1,185)
248.3208

>  <Cat> (1,185)
P3254

>  <Name> (1,185)
CL-16859

>  <Synonyms> (1,185)
N/A

>  <Target> (1,185)
Anti-infection 

>  <Form> (1,185)
free base

>  <CAS> (1,185)
438025-86-6

>  <URL> (1,185)
N/A

$$$$
WAY-320706
csChFnd80/08142011062D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,186)
1187

>  <Formula> (1,186)
C13H11ClN6OS2

>  <MolWeight> (1,186)
366.84904

>  <Cat> (1,186)
P3328

>  <Name> (1,186)
WAY-320706

>  <Synonyms> (1,186)
N/A

>  <Target> (1,186)
Anti-infection, ATOH-1

>  <Form> (1,186)
free base

>  <CAS> (1,186)
370092-42-5

>  <URL> (1,186)
N/A

$$$$
WAY-320774
csChFnd80/08142011062D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 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
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 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
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 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> (1,187)
1188

>  <Formula> (1,187)
C19H16N4O2S

>  <MolWeight> (1,187)
364.42094

>  <Cat> (1,187)
P3329

>  <Name> (1,187)
WAY-320774

>  <Synonyms> (1,187)
N/A

>  <Target> (1,187)
Kanamycin Resistance Enzyme Eis

>  <Form> (1,187)
free base

>  <CAS> (1,187)
425653-38-9

>  <URL> (1,187)
N/A

$$$$
WAY-320951
csChFnd80/08142011062D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  4  2  0  0  0  0
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  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
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 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,188)
1189

>  <Formula> (1,188)
C14H11N3O4S

>  <MolWeight> (1,188)
317.31984

>  <Cat> (1,188)
P3330

>  <Name> (1,188)
WAY-320951

>  <Synonyms> (1,188)
N/A

>  <Target> (1,188)
Anti-infection

>  <Form> (1,188)
free base

>  <CAS> (1,188)
430444-03-4

>  <URL> (1,188)
N/A

$$$$
WAY-321002
csChFnd80/08142011062D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  5 10  2  0  0  0  0
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 21 24  2  0  0  0  0
  7  9  2  0  0  0  0
 11 14  2  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,189)
1190

>  <Formula> (1,189)
C20H16N4

>  <MolWeight> (1,189)
312.36784

>  <Cat> (1,189)
P3331

>  <Name> (1,189)
WAY-321002

>  <Synonyms> (1,189)
N/A

>  <Target> (1,189)
EGFR,PDE-5,TGF-¦Â,p38-¦Á,

>  <Form> (1,189)
free base

>  <CAS> (1,189)
166039-38-9

>  <URL> (1,189)
N/A

$$$$
WAY-321364
csChFnd80/08142011062D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,190)
1191

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C21H17N3O4

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P3332

>  <Name> (1,190)
WAY-321364

>  <Synonyms> (1,190)
N/A

>  <Target> (1,190)
casein kinase 2

>  <Form> (1,190)
free base

>  <CAS> (1,190)
385389-39-9

>  <URL> (1,190)
N/A

$$$$
WAY-321366
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,191)
1192

>  <Formula> (1,191)
C20H14ClN3O3

>  <MolWeight> (1,191)
379.79646

>  <Cat> (1,191)
P3333

>  <Name> (1,191)
WAY-321366

>  <Synonyms> (1,191)
N/A

>  <Target> (1,191)
tyrosine kinase

>  <Form> (1,191)
free base

>  <CAS> (1,191)
370854-75-4

>  <URL> (1,191)
N/A

$$$$
WAY-321582-A
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,192)
1193

>  <Formula> (1,192)
C13H11N3O

>  <MolWeight> (1,192)
225.24594

>  <Cat> (1,192)
P3334

>  <Name> (1,192)
WAY-321582-A

>  <Synonyms> (1,192)
N/A

>  <Target> (1,192)
casein kinase 2

>  <Form> (1,192)
free base

>  <CAS> (1,192)
34116-16-0

>  <URL> (1,192)
N/A

$$$$
WAY-321873
csChFnd80/08142011062D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,193)
1194

>  <Formula> (1,193)
C21H17N5O4S

>  <MolWeight> (1,193)
435.45578

>  <Cat> (1,193)
P3335

>  <Name> (1,193)
WAY-321873

>  <Synonyms> (1,193)
N/A

>  <Target> (1,193)
 GATA4-NKX2-5,AKT

>  <Form> (1,193)
free base

>  <CAS> (1,193)
547704-53-0

>  <URL> (1,193)
N/A

$$$$
WAY-321961
csChFnd80/08142011062D

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 10  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,194)
1195

>  <Formula> (1,194)
C12H11NO3

>  <MolWeight> (1,194)
217.22064

>  <Cat> (1,194)
P3336

>  <Name> (1,194)
WAY-321961

>  <Synonyms> (1,194)
N/A

>  <Target> (1,194)
protein kinase D

>  <Form> (1,194)
free base

>  <CAS> (1,194)
370586-05-3

>  <URL> (1,194)
N/A

$$$$
WAY-322545
csChFnd80/08142011062D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,195)
1196

>  <Formula> (1,195)
C17H19ClN2O3

>  <MolWeight> (1,195)
334.79736

>  <Cat> (1,195)
P3337

>  <Name> (1,195)
WAY-322545

>  <Synonyms> (1,195)
N/A

>  <Target> (1,195)
GSK-3¦Á/¦Â

>  <Form> (1,195)
free base

>  <CAS> (1,195)
451449-70-0

>  <URL> (1,195)
N/A

$$$$
WAY-322940
csChFnd80/08142011062D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,196)
1197

>  <Formula> (1,196)
C22H20N4O4S

>  <MolWeight> (1,196)
436.4836

>  <Cat> (1,196)
P3338

>  <Name> (1,196)
WAY-322940

>  <Synonyms> (1,196)
N/A

>  <Target> (1,196)
Rho 

>  <Form> (1,196)
free base

>  <CAS> (1,196)
445267-51-6

>  <URL> (1,196)
N/A

$$$$
WAY-604116
csChFnd80/08142011062D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,197)
1198

>  <Formula> (1,197)
C17H22N2O

>  <MolWeight> (1,197)
270.36938

>  <Cat> (1,197)
P3436

>  <Name> (1,197)
WAY-604116

>  <Synonyms> (1,197)
N/A

>  <Target> (1,197)
sphingosine kinase,11¦Â-hydroxysteroid dehyd

>  <Form> (1,197)
free base

>  <CAS> (1,197)
121768-39-6

>  <URL> (1,197)
N/A

$$$$
WAY-603610
csChFnd80/08142011062D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
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 22 13  1  0  0  0  0
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 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,198)
1199

>  <Formula> (1,198)
C17H19N3OS

>  <MolWeight> (1,198)
313.41726

>  <Cat> (1,198)
P3434

>  <Name> (1,198)
WAY-603610

>  <Synonyms> (1,198)
N/A

>  <Target> (1,198)
GSK3

>  <Form> (1,198)
free base

>  <CAS> (1,198)
380450-97-5

>  <URL> (1,198)
N/A

$$$$
WAY-603814
csChFnd80/08142011062D

 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> (1,199)
1200

>  <Formula> (1,199)
C16H13ClN2O3

>  <MolWeight> (1,199)
316.73902

>  <Cat> (1,199)
P3435

>  <Name> (1,199)
WAY-603814

>  <Synonyms> (1,199)
N/A

>  <Target> (1,199)
FGFR1, HSP 90 

>  <Form> (1,199)
free base

>  <CAS> (1,199)
308298-51-3

>  <URL> (1,199)
N/A

$$$$
WAY-636900
csChFnd80/08142011062D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,200)
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WAY-636900

>  <Synonyms> (1,200)
N/A

>  <Target> (1,200)
Aurora kinase A

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free base

>  <CAS> (1,200)
792965-51-6

>  <URL> (1,200)
N/A

$$$$
WAY-636982
csChFnd80/08142011062D

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>  <Mol_ID> (1,201)
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C10H14N2O4

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P3490

>  <Name> (1,201)
WAY-636982

>  <Synonyms> (1,201)
N/A

>  <Target> (1,201)
Aurora kinase A

>  <Form> (1,201)
free base

>  <CAS> (1,201)
834-45-7

>  <URL> (1,201)
N/A

$$$$
WAY-637081
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,202)
1203

>  <Formula> (1,202)
C17H11ClN4O2

>  <MolWeight> (1,202)
338.74784

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P3491

>  <Name> (1,202)
WAY-637081

>  <Synonyms> (1,202)
N/A

>  <Target> (1,202)
VEGFR2,Casein kinase 1d

>  <Form> (1,202)
free base

>  <CAS> (1,202)
793722-88-0

>  <URL> (1,202)
N/A

$$$$
WAY-637493
csChFnd80/08142011062D

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>  <Mol_ID> (1,203)
1204

>  <Formula> (1,203)
C18H14N4O3

>  <MolWeight> (1,203)
334.32876

>  <Cat> (1,203)
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>  <Name> (1,203)
WAY-637493

>  <Synonyms> (1,203)
N/A

>  <Target> (1,203)
Fyn

>  <Form> (1,203)
free base

>  <CAS> (1,203)
791600-64-1

>  <URL> (1,203)
N/A

$$$$
WAY-637845
csChFnd80/08142011062D

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>  <MolWeight> (1,204)
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>  <Cat> (1,204)
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>  <Name> (1,204)
WAY-637845

>  <Synonyms> (1,204)
N/A

>  <Target> (1,204)
others

>  <Form> (1,204)
free base

>  <CAS> (1,204)
794539-14-3

>  <URL> (1,204)
N/A

$$$$
WAY-655860
csChFnd80/08142011062D

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>  <Mol_ID> (1,205)
1206

>  <Formula> (1,205)
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>  <MolWeight> (1,205)
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>  <Cat> (1,205)
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>  <Name> (1,205)
WAY-655860

>  <Synonyms> (1,205)
N/A

>  <Target> (1,205)
B-Raf

>  <Form> (1,205)
free base

>  <CAS> (1,205)
63895-45-4

>  <URL> (1,205)
N/A

$$$$
WAY-655978
csChFnd80/08142011062D

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>  <Synonyms> (1,206)
N/A

>  <Target> (1,206)
ROCK, ERK, GSK, and AGC

>  <Form> (1,206)
free base

>  <CAS> (1,206)
692869-98-0

>  <URL> (1,206)
N/A

$$$$
WAY-656283
csChFnd80/08142011062D

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M  END
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>  <Name> (1,207)
WAY-656283

>  <Synonyms> (1,207)
N/A

>  <Target> (1,207)
p38

>  <Form> (1,207)
free base

>  <CAS> (1,207)
263270-62-8

>  <URL> (1,207)
N/A

$$$$
WAY-656935
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,208)
1209

>  <Formula> (1,208)
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>  <MolWeight> (1,208)
325.3849

>  <Cat> (1,208)
P3523

>  <Name> (1,208)
WAY-656935

>  <Synonyms> (1,208)
N/A

>  <Target> (1,208)
 ROCK, ERK, GSK, and AGC 

>  <Form> (1,208)
free base

>  <CAS> (1,208)
852902-81-9

>  <URL> (1,208)
N/A

$$$$
WAY-657460
csChFnd80/08142011062D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,209)
1210

>  <Formula> (1,209)
C17H15N3O2S

>  <MolWeight> (1,209)
325.3849

>  <Cat> (1,209)
P3524

>  <Name> (1,209)
WAY-657460

>  <Synonyms> (1,209)
N/A

>  <Target> (1,209)
 ROCK, ERK, GSK, and AGC 

>  <Form> (1,209)
free base

>  <CAS> (1,209)
853325-19-6

>  <URL> (1,209)
N/A

$$$$
WAY-323534
csChFnd80/08142011062D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,210)
1211

>  <Formula> (1,210)
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>  <MolWeight> (1,210)
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>  <Cat> (1,210)
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>  <Name> (1,210)
WAY-323534

>  <Synonyms> (1,210)
N/A

>  <Target> (1,210)
PASK

>  <Form> (1,210)
free base

>  <CAS> (1,210)
854040-96-3

>  <URL> (1,210)
N/A

$$$$
WAY-323878-A
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,211)
1212

>  <Formula> (1,211)
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>  <MolWeight> (1,211)
250.29516

>  <Cat> (1,211)
P3340

>  <Name> (1,211)
WAY-323878-A

>  <Synonyms> (1,211)
N/A

>  <Target> (1,211)
CDK

>  <Form> (1,211)
free base

>  <CAS> (1,211)
1185726-51-5

>  <URL> (1,211)
N/A

$$$$
WAY-323879
csChFnd80/08142011062D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,212)
1213

>  <Formula> (1,212)
C15H14N2O

>  <MolWeight> (1,212)
238.28446

>  <Cat> (1,212)
P3341

>  <Name> (1,212)
WAY-323879

>  <Synonyms> (1,212)
N/A

>  <Target> (1,212)
CDK

>  <Form> (1,212)
free base

>  <CAS> (1,212)
685097-43-2

>  <URL> (1,212)
N/A

$$$$
WAY-324418
csChFnd80/08142011062D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,213)
1214

>  <Formula> (1,213)
C11H10N4O2S

>  <MolWeight> (1,213)
262.2877

>  <Cat> (1,213)
P3342

>  <Name> (1,213)
WAY-324418

>  <Synonyms> (1,213)
N/A

>  <Target> (1,213)
Anti-infection

>  <Form> (1,213)
free base

>  <CAS> (1,213)
681838-49-3

>  <URL> (1,213)
N/A

$$$$
WAY-324420
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,214)
1215

>  <Formula> (1,214)
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>  <MolWeight> (1,214)
276.31428

>  <Cat> (1,214)
P3343

>  <Name> (1,214)
WAY-324420

>  <Synonyms> (1,214)
N/A

>  <Target> (1,214)
Anti-infection

>  <Form> (1,214)
free base

>  <CAS> (1,214)
681838-50-6

>  <URL> (1,214)
N/A

$$$$
WAY-324709
csChFnd80/08142011062D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,215)
1216

>  <Formula> (1,215)
C15H9FN2O3

>  <MolWeight> (1,215)
284.2419632

>  <Cat> (1,215)
P3344

>  <Name> (1,215)
WAY-324709

>  <Synonyms> (1,215)
N/A

>  <Target> (1,215)
ATP-kinase

>  <Form> (1,215)
free base

>  <CAS> (1,215)
69785-85-9

>  <URL> (1,215)
N/A

$$$$
WAY-325065
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,216)
1217

>  <Formula> (1,216)
C16H17N7S

>  <MolWeight> (1,216)
339.41808

>  <Cat> (1,216)
P3345

>  <Name> (1,216)
WAY-325065

>  <Synonyms> (1,216)
N/A

>  <Target> (1,216)
MtSk

>  <Form> (1,216)
free base

>  <CAS> (1,216)
689762-76-3

>  <URL> (1,216)
N/A

$$$$
WAY-325185
csChFnd80/08142011062D

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VEGFR

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342785-98-2

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N/A

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WAY-325484
csChFnd80/08142011062D

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free base

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642002-74-2

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N/A

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WAY-325485
csChFnd80/08142011062D

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free base

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177937-81-4

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N/A

$$$$
WAY-325487
csChFnd80/08142011062D

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N/A

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Others

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free base

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575471-15-7

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N/A

$$$$
WAY-325490
csChFnd80/08142011062D

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WAY-325490

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N/A

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mitogen activated protein kinase-activated p

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free base

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77607-70-6

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N/A

$$$$
WAY-606344
csChFnd80/08142011062D

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WAY-606344

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Casein kinase 1d

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free base

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380423-28-9

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N/A

$$$$
WAY-606954
csChFnd80/08142011062D

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>  <Synonyms> (1,223)
N/A

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GSK3

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free base

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748145-12-2

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N/A

$$$$
WAY-606956
csChFnd80/08142011062D

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M  END
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1225

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C18H20N4O

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P3439

>  <Name> (1,224)
WAY-606956

>  <Synonyms> (1,224)
N/A

>  <Target> (1,224)
GSK3

>  <Form> (1,224)
free base

>  <CAS> (1,224)
748145-19-9

>  <URL> (1,224)
N/A

$$$$
WAY-606957
csChFnd80/08142011062D

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1226

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C18H20N4O

>  <MolWeight> (1,225)
308.3776

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P3440

>  <Name> (1,225)
WAY-606957

>  <Synonyms> (1,225)
N/A

>  <Target> (1,225)
GSK3

>  <Form> (1,225)
free base

>  <CAS> (1,225)
1062138-03-7

>  <URL> (1,225)
N/A

$$$$
WAY-606958
csChFnd80/08142011062D

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>  <Mol_ID> (1,226)
1227

>  <Formula> (1,226)
C23H23N5O

>  <MolWeight> (1,226)
385.46162

>  <Cat> (1,226)
P3441

>  <Name> (1,226)
WAY-606958

>  <Synonyms> (1,226)
N/A

>  <Target> (1,226)
Casein kinase 1¦Ä

>  <Form> (1,226)
free base

>  <CAS> (1,226)
882220-11-3

>  <URL> (1,226)
N/A

$$$$
WAY-297342
csChFnd80/08142011062D

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>  <Mol_ID> (1,227)
1228

>  <Formula> (1,227)
C15H15N3O2S

>  <MolWeight> (1,227)
301.3635

>  <Cat> (1,227)
P3298

>  <Name> (1,227)
WAY-297342

>  <Synonyms> (1,227)
N/A

>  <Target> (1,227)
Anti-infection,FLT3,SirT1,ATP-utilizing enzy

>  <Form> (1,227)
free base

>  <CAS> (1,227)
298207-49-5

>  <URL> (1,227)
N/A

$$$$
WAY-297629
csChFnd80/08142011062D

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 10 14  1  0  0  0  0
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 10 11  1  0  0  0  0
 16 19  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,228)
1229

>  <Formula> (1,228)
C21H18N2O3

>  <MolWeight> (1,228)
346.37922

>  <Cat> (1,228)
P3299

>  <Name> (1,228)
WAY-297629

>  <Synonyms> (1,228)
N/A

>  <Target> (1,228)
VEGFR2

>  <Form> (1,228)
free base

>  <CAS> (1,228)
371213-22-8

>  <URL> (1,228)
N/A

$$$$
GI-569525
csChFnd80/08142011062D

 24 26  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
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  4 10  2  0  0  0  0
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  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
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 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
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 17 20  1  0  0  0  0
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 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
 12 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,229)
1230

>  <Formula> (1,229)
C18H17NO4S

>  <MolWeight> (1,229)
343.39688

>  <Cat> (1,229)
P3260

>  <Name> (1,229)
GI-569525

>  <Synonyms> (1,229)
N/A

>  <Target> (1,229)
Anti-infection

>  <Form> (1,229)
free base

>  <CAS> (1,229)
96334-43-9

>  <URL> (1,229)
N/A

$$$$
WAY-298041
csChFnd80/08142011062D

 22 24  0  0  0  0  0  0  0  0999 V2000
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   -4.5207   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,230)
1231

>  <Formula> (1,230)
C17H15N3O2

>  <MolWeight> (1,230)
293.3199

>  <Cat> (1,230)
P3300

>  <Name> (1,230)
WAY-298041

>  <Synonyms> (1,230)
N/A

>  <Target> (1,230)
c-Met

>  <Form> (1,230)
free base

>  <CAS> (1,230)
299405-67-7

>  <URL> (1,230)
N/A

$$$$
WAY-298350
csChFnd80/08142011062D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.5005   -5.8010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.3310   -5.8010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7420   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5890   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
  6  9  1  0  0  0  0
 20 21  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,231)
1232

>  <Formula> (1,231)
C17H17NO3

>  <MolWeight> (1,231)
283.32178

>  <Cat> (1,231)
P3301

>  <Name> (1,231)
WAY-298350

>  <Synonyms> (1,231)
N/A

>  <Target> (1,231)
A kinase anchor protein/protein kinase A int

>  <Form> (1,231)
free base

>  <CAS> (1,231)
304888-67-3

>  <URL> (1,231)
N/A

$$$$
WAY-298516
csChFnd80/08142011062D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.0297    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2703    0.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7910   -0.7232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1779   -1.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434   -1.4507    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6703   -2.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6048   -1.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  7  9  1  0  0  0  0
 12 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,232)
1233

>  <Formula> (1,232)
C14H13ClN2O3

>  <MolWeight> (1,232)
292.71762

>  <Cat> (1,232)
P3302

>  <Name> (1,232)
WAY-298516

>  <Synonyms> (1,232)
N/A

>  <Target> (1,232)
Androgen Receptor,RAD51,GSK-3

>  <Form> (1,232)
free base

>  <CAS> (1,232)
103056-35-5

>  <URL> (1,232)
N/A

$$$$
WAY-298668
csChFnd80/08142011062D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.9483   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3310   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1483   -0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931   -0.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,233)
1234

>  <Formula> (1,233)
C22H23N5O3

>  <MolWeight> (1,233)
405.44972

>  <Cat> (1,233)
P3303

>  <Name> (1,233)
WAY-298668

>  <Synonyms> (1,233)
N/A

>  <Target> (1,233)
Aurora-A,JAMM protease

>  <Form> (1,233)
free base

>  <CAS> (1,233)
371224-09-8

>  <URL> (1,233)
N/A

$$$$
WAY-607324
csChFnd80/08142011062D

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 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,234)
1235

>  <Formula> (1,234)
C13H8N2O2S2

>  <MolWeight> (1,234)
288.34482

>  <Cat> (1,234)
P3442

>  <Name> (1,234)
WAY-607324

>  <Synonyms> (1,234)
N/A

>  <Target> (1,234)
Mcl-1,ASK1

>  <Form> (1,234)
free base

>  <CAS> (1,234)
1427537-92-5

>  <URL> (1,234)
N/A

$$$$
WAY-607500
csChFnd80/08142011062D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,235)
1236

>  <Formula> (1,235)
C19H18N2O2

>  <MolWeight> (1,235)
306.35842

>  <Cat> (1,235)
P3443

>  <Name> (1,235)
WAY-607500

>  <Synonyms> (1,235)
N/A

>  <Target> (1,235)
VEGFR

>  <Form> (1,235)
free base

>  <CAS> (1,235)
186610-88-8

>  <URL> (1,235)
N/A

$$$$
WAY-607738
csChFnd80/08142011062D

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 10  7  1  0  0  0  0
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 12  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,236)
1237

>  <Formula> (1,236)
C22H18N4O6

>  <MolWeight> (1,236)
434.40152

>  <Cat> (1,236)
P3444

>  <Name> (1,236)
WAY-607738

>  <Synonyms> (1,236)
N/A

>  <Target> (1,236)
Mcl-1,mitogen-activated protein kinase phosp

>  <Form> (1,236)
free base

>  <CAS> (1,236)
522624-94-8

>  <URL> (1,236)
N/A

$$$$
WAY-607777
csChFnd80/08142011062D

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 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
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 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,237)
1238

>  <Formula> (1,237)
C16H12ClN3O2S2

>  <MolWeight> (1,237)
377.86838

>  <Cat> (1,237)
P3445

>  <Name> (1,237)
WAY-607777

>  <Synonyms> (1,237)
N/A

>  <Target> (1,237)
Casein kinase 1d

>  <Form> (1,237)
free base

>  <CAS> (1,237)
522626-08-0

>  <URL> (1,237)
N/A

$$$$
WAY-619275
csChFnd80/08142011062D

 18 20  0  0  0  0  0  0  0  0999 V2000
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   -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
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  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
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 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,238)
1239

>  <Formula> (1,238)
C12H11N5O

>  <MolWeight> (1,238)
241.24864

>  <Cat> (1,238)
P3457

>  <Name> (1,238)
WAY-619275

>  <Synonyms> (1,238)
N/A

>  <Target> (1,238)
Plk1 kinase,EphB2

>  <Form> (1,238)
free base

>  <CAS> (1,238)
73663-97-5

>  <URL> (1,238)
N/A

$$$$
WAY-619999
csChFnd80/08142011062D

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   -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
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    6.2875    0.9875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6958    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4333   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11 17  2  0  0  0  0
 12 11  1  0  0  0  0
 13  2  2  0  0  0  0
 14 24  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  2  0  0  0  0
 17 31  1  0  0  0  0
 18  7  2  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22  1  1  0  0  0  0
 23 27  1  0  0  0  0
 24 15  1  0  0  0  0
 25 11  1  0  0  0  0
 26  5  1  0  0  0  0
 27 21  2  0  0  0  0
 28 23  1  0  0  0  0
 29 20  1  0  0  0  0
 30 22  1  0  0  0  0
 31 29  1  0  0  0  0
 30 26  1  0  0  0  0
  3  6  2  0  0  0  0
 10 16  1  0  0  0  0
 12 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,239)
1240

>  <Formula> (1,239)
C22H19Cl2N3O4

>  <MolWeight> (1,239)
460.30996

>  <Cat> (1,239)
P3458

>  <Name> (1,239)
WAY-619999

>  <Synonyms> (1,239)
N/A

>  <Target> (1,239)
CK2,GSK3¦Â

>  <Form> (1,239)
free base

>  <CAS> (1,239)
736932-33-5

>  <URL> (1,239)
N/A

$$$$
WAY-620099
csChFnd80/08142011062D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.5875    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
  9  8  2  0  0  0  0
  4  5  1  0  0  0  0
 20 19  1  0  0  0  0
 11 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,240)
1241

>  <Formula> (1,240)
C15H12ClN3S

>  <MolWeight> (1,240)
301.79388

>  <Cat> (1,240)
P3459

>  <Name> (1,240)
WAY-620099

>  <Synonyms> (1,240)
N/A

>  <Target> (1,240)
tyrosine kinase,PI3K,phosphodiesterase V

>  <Form> (1,240)
free base

>  <CAS> (1,240)
128277-24-7

>  <URL> (1,240)
N/A

$$$$
WAY-620147
csChFnd80/08142011062D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   -0.4023    0.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 13 14  1  0  0  0  0
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 16 17  1  0  0  0  0
  3 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,241)
1242

>  <Formula> (1,241)
C12H16BrN3O2

>  <MolWeight> (1,241)
314.17834

>  <Cat> (1,241)
P3460

>  <Name> (1,241)
WAY-620147

>  <Synonyms> (1,241)
N/A

>  <Target> (1,241)
monoamine oxidase a

>  <Form> (1,241)
free base

>  <CAS> (1,241)
515866-67-8

>  <URL> (1,241)
N/A

$$$$
WAY-638641
csChFnd80/08142011062D

 25 28  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  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> (1,242)
1243

>  <Formula> (1,242)
C16H17N3O5S

>  <MolWeight> (1,242)
363.38828

>  <Cat> (1,242)
P3494

>  <Name> (1,242)
WAY-638641

>  <Synonyms> (1,242)
N/A

>  <Target> (1,242)
Aurora kinase A

>  <Form> (1,242)
free base

>  <CAS> (1,242)
796068-62-7

>  <URL> (1,242)
N/A

$$$$
WAY-638796
csChFnd80/08142011062D

 19 22  0  0  0  0  0  0  0  0999 V2000
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    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
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M  END
>  <Mol_ID> (1,243)
1244

>  <Formula> (1,243)
C14H10ClN3S

>  <MolWeight> (1,243)
287.7673

>  <Cat> (1,243)
P3495

>  <Name> (1,243)
WAY-638796

>  <Synonyms> (1,243)
N/A

>  <Target> (1,243)
tyrosine kinase

>  <Form> (1,243)
free base

>  <CAS> (1,243)
796067-64-6

>  <URL> (1,243)
N/A

$$$$
WAY-639405
csChFnd80/08142011062D

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 13 12  2  0  0  0  0
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M  END
>  <Mol_ID> (1,244)
1245

>  <Formula> (1,244)
C21H18N4O2S

>  <MolWeight> (1,244)
390.45822

>  <Cat> (1,244)
P3496

>  <Name> (1,244)
WAY-639405

>  <Synonyms> (1,244)
N/A

>  <Target> (1,244)
tyrosine kinase,phosphodiesterase V

>  <Form> (1,244)
free base

>  <CAS> (1,244)
796052-04-5

>  <URL> (1,244)
N/A

$$$$
WAY-658341
csChFnd80/08142011062D

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 15  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,245)
1246

>  <Formula> (1,245)
C18H15BrN6O2S

>  <MolWeight> (1,245)
459.3197

>  <Cat> (1,245)
P3525

>  <Name> (1,245)
WAY-658341

>  <Synonyms> (1,245)
N/A

>  <Target> (1,245)
Casein kinase 1d

>  <Form> (1,245)
free base

>  <CAS> (1,245)
849012-74-4

>  <URL> (1,245)
N/A

$$$$
WAY-658513
csChFnd80/08142011062D

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 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
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 23 12  2  0  0  0  0
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 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,246)
1247

>  <Formula> (1,246)
C16H11ClFN3OS

>  <MolWeight> (1,246)
347.7944432

>  <Cat> (1,246)
P3526

>  <Name> (1,246)
WAY-658513

>  <Synonyms> (1,246)
N/A

>  <Target> (1,246)
ROCK, ERK, GSK, and AGC

>  <Form> (1,246)
free base

>  <CAS> (1,246)
692870-25-0

>  <URL> (1,246)
N/A

$$$$
WAY-326250
csChFnd80/08142011062D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  8  4  1  0  0  0  0
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 16 14  2  0  0  0  0
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M  END
>  <Mol_ID> (1,247)
1248

>  <Formula> (1,247)
C15H13N5OS

>  <MolWeight> (1,247)
311.36162

>  <Cat> (1,247)
P3351

>  <Name> (1,247)
WAY-326250

>  <Synonyms> (1,247)
N/A

>  <Target> (1,247)
shikimate kinase

>  <Form> (1,247)
free base

>  <CAS> (1,247)
869872-13-9

>  <URL> (1,247)
N/A

$$$$
WAY-326542
csChFnd80/08142011062D

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M  END
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>  <Synonyms> (1,248)
N/A

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free base

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870983-04-3

>  <URL> (1,248)
N/A

$$$$
WAY-326578
csChFnd80/08142011062D

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M  END
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1250

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316.37484

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>  <Name> (1,249)
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>  <Synonyms> (1,249)
N/A

>  <Target> (1,249)
GSK-3b

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free base

>  <CAS> (1,249)
870984-34-2

>  <URL> (1,249)
N/A

$$$$
WAY-326890
csChFnd80/08142011062D

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1251

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>  <MolWeight> (1,250)
375.46518

>  <Cat> (1,250)
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>  <Name> (1,250)
WAY-326890

>  <Synonyms> (1,250)
N/A

>  <Target> (1,250)
Others

>  <Form> (1,250)
free base

>  <CAS> (1,250)
685865-67-2

>  <URL> (1,250)
N/A

$$$$
WAY-326891
csChFnd80/08142011062D

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>  <Mol_ID> (1,251)
1252

>  <Formula> (1,251)
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>  <MolWeight> (1,251)
375.46518

>  <Cat> (1,251)
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>  <Name> (1,251)
WAY-326891

>  <Synonyms> (1,251)
N/A

>  <Target> (1,251)
kinase

>  <Form> (1,251)
free base

>  <CAS> (1,251)
685865-71-8

>  <URL> (1,251)
N/A

$$$$
WAY-326892
csChFnd80/08142011062D

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1253

>  <Formula> (1,252)
C17H17N3O3S2

>  <MolWeight> (1,252)
375.46518

>  <Cat> (1,252)
P3356

>  <Name> (1,252)
WAY-326892

>  <Synonyms> (1,252)
N/A

>  <Target> (1,252)
kinase

>  <Form> (1,252)
free base

>  <CAS> (1,252)
685865-72-9

>  <URL> (1,252)
N/A

$$$$
WAY-326893
csChFnd80/08142011062D

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WAY-326894
csChFnd80/08142011062D

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kinase

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free base

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N/A

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WAY-327480
csChFnd80/08142011062D

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N/A

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WAY-328158
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N/A

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WAY-621129
csChFnd80/08142011062D

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>  <Cat> (1,257)
P3461

>  <Name> (1,257)
WAY-621129

>  <Synonyms> (1,257)
N/A

>  <Target> (1,257)
SIRT6,BCRP/ABCG2,CK2,HIV-1 protease,CDK

>  <Form> (1,257)
free base

>  <CAS> (1,257)
6889-78-7

>  <URL> (1,257)
N/A

$$$$
WAY-621555
csChFnd80/08142011062D

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  9  4  2  0  0  0  0
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M  END
>  <Mol_ID> (1,258)
1259

>  <Formula> (1,258)
C22H21N5

>  <MolWeight> (1,258)
355.43564

>  <Cat> (1,258)
P3462

>  <Name> (1,258)
WAY-621555

>  <Synonyms> (1,258)
N/A

>  <Target> (1,258)
Casein kinase 1¦Ä

>  <Form> (1,258)
free base

>  <CAS> (1,258)
956753-89-2

>  <URL> (1,258)
N/A

$$$$
WAY-621640
csChFnd80/08142011062D

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 13 14  1  0  0  0  0
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 16  4  2  0  0  0  0
 17  1  1  0  0  0  0
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M  END
>  <Mol_ID> (1,259)
1260

>  <Formula> (1,259)
C17H15N3O2S

>  <MolWeight> (1,259)
325.3849

>  <Cat> (1,259)
P3463

>  <Name> (1,259)
WAY-621640

>  <Synonyms> (1,259)
N/A

>  <Target> (1,259)
Casein kinase 1¦Ä

>  <Form> (1,259)
free base

>  <CAS> (1,259)
742113-71-9

>  <URL> (1,259)
N/A

$$$$
WAY-621856
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,260)
1261

>  <Formula> (1,260)
C16H9N5O3S

>  <MolWeight> (1,260)
351.33936

>  <Cat> (1,260)
P3464

>  <Name> (1,260)
WAY-621856

>  <Synonyms> (1,260)
N/A

>  <Target> (1,260)
FGFR

>  <Form> (1,260)
free base

>  <CAS> (1,260)
606958-57-0

>  <URL> (1,260)
N/A

$$$$
WAY-639932
csChFnd80/08142011062D

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  7  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,261)
1262

>  <Formula> (1,261)
C17H12N4S2

>  <MolWeight> (1,261)
336.43398

>  <Cat> (1,261)
P3497

>  <Name> (1,261)
WAY-639932

>  <Synonyms> (1,261)
N/A

>  <Target> (1,261)
Casein kinase 1¦Ä

>  <Form> (1,261)
free base

>  <CAS> (1,261)
851467-69-1

>  <URL> (1,261)
N/A

$$$$
WAY-660114
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,262)
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WAY-660114

>  <Synonyms> (1,262)
N/A

>  <Target> (1,262)
kinase

>  <Form> (1,262)
free base

>  <CAS> (1,262)
871317-00-9

>  <URL> (1,262)
N/A

$$$$
WAY-660222
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,263)
1264

>  <Formula> (1,263)
C19H13FO

>  <MolWeight> (1,263)
276.3043232

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P3528

>  <Name> (1,263)
WAY-660222

>  <Synonyms> (1,263)
N/A

>  <Target> (1,263)
EGFR

>  <Form> (1,263)
free base

>  <CAS> (1,263)
867294-23-3

>  <URL> (1,263)
N/A

$$$$
WAY-660667
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,264)
1265

>  <Formula> (1,264)
C17H17N5O3

>  <MolWeight> (1,264)
339.34858

>  <Cat> (1,264)
P3529

>  <Name> (1,264)
WAY-660667

>  <Synonyms> (1,264)
N/A

>  <Target> (1,264)
ROS

>  <Form> (1,264)
free base

>  <CAS> (1,264)
871218-26-7

>  <URL> (1,264)
N/A

$$$$
WAY-661516
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,265)
1266

>  <Formula> (1,265)
C15H15ClFN3O5

>  <MolWeight> (1,265)
371.7481032

>  <Cat> (1,265)
P3530

>  <Name> (1,265)
WAY-661516

>  <Synonyms> (1,265)
N/A

>  <Target> (1,265)
Aurora kinase A

>  <Form> (1,265)
free base

>  <CAS> (1,265)
875163-98-7

>  <URL> (1,265)
N/A

$$$$
CL-230482
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,266)
1267

>  <Formula> (1,266)
C15H12N2O

>  <MolWeight> (1,266)
236.26858

>  <Cat> (1,266)
P3255

>  <Name> (1,266)
CL-230482

>  <Synonyms> (1,266)
N/A

>  <Target> (1,266)
PDGFR

>  <Form> (1,266)
free base

>  <CAS> (1,266)
909859-35-4

>  <URL> (1,266)
N/A

$$$$
WYE-163716-A
csChFnd80/08142011062D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,267)
1268

>  <Formula> (1,267)
C15H14N4O2S2

>  <MolWeight> (1,267)
346.42726

>  <Cat> (1,267)
P3533

>  <Name> (1,267)
WYE-163716-A

>  <Synonyms> (1,267)
N/A

>  <Target> (1,267)
rRNA ErmC' methyltransferase,F508del-CFTR,PI

>  <Form> (1,267)
free base

>  <CAS> (1,267)
92902-64-2

>  <URL> (1,267)
N/A

$$$$
WYE-175765
csChFnd80/08142011062D

 22 23  0  0  0  0  0  0  0  0999 V2000
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    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
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    1.6875    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1708   -3.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 20  2  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
  9 12  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,268)
1269

>  <Formula> (1,268)
C14H13NO6S

>  <MolWeight> (1,268)
323.32112

>  <Cat> (1,268)
P3534

>  <Name> (1,268)
WYE-175765

>  <Synonyms> (1,268)
N/A

>  <Target> (1,268)
JAK3,YopH,antibacterial

>  <Form> (1,268)
free base

>  <CAS> (1,268)
956236-35-4

>  <URL> (1,268)
N/A

$$$$
WYE-175829
csChFnd80/08142011062D

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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
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 15  8  1  0  0  0  0
 16  9  2  0  0  0  0
 17 11  1  0  0  0  0
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 19 15  2  0  0  0  0
 16 14  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,269)
1270

>  <Formula> (1,269)
C13H14N2O3S

>  <MolWeight> (1,269)
278.32686

>  <Cat> (1,269)
P3535

>  <Name> (1,269)
WYE-175829

>  <Synonyms> (1,269)
N/A

>  <Target> (1,269)
tyrosine kinase,gonadotropin-releasing hormo

>  <Form> (1,269)
free base

>  <CAS> (1,269)
327093-01-6

>  <URL> (1,269)
N/A

$$$$
WYE-175837
csChFnd80/08142011062D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   -1.1349   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1556    3.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 10  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,270)
1271

>  <Formula> (1,270)
C14H14N2O2

>  <MolWeight> (1,270)
242.27316

>  <Cat> (1,270)
P3536

>  <Name> (1,270)
WYE-175837

>  <Synonyms> (1,270)
N/A

>  <Target> (1,270)
BTK,VEGFR-2,Protein Arginine Deiminase

>  <Form> (1,270)
free base

>  <CAS> (1,270)
891-35-0

>  <URL> (1,270)
N/A

$$$$
WYE-175840
csChFnd80/08142011062D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    0.2375    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5042    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
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 14  4  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
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 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
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 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  3  4  1  0  0  0  0
 15 17  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,271)
1272

>  <Formula> (1,271)
C17H19N5O3S

>  <MolWeight> (1,271)
373.42946

>  <Cat> (1,271)
P3537

>  <Name> (1,271)
WYE-175840

>  <Synonyms> (1,271)
N/A

>  <Target> (1,271)
Glutamate Racemase,protein kinase-activated 

>  <Form> (1,271)
free base

>  <CAS> (1,271)
380432-29-1

>  <URL> (1,271)
N/A

$$$$
WYE-176092
csChFnd80/08142011062D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
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  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,272)
1273

>  <Formula> (1,272)
C12H14N2O2S2

>  <MolWeight> (1,272)
282.38176

>  <Cat> (1,272)
P3538

>  <Name> (1,272)
WYE-176092

>  <Synonyms> (1,272)
N/A

>  <Target> (1,272)
Anti-infection

>  <Form> (1,272)
free base

>  <CAS> (1,272)
121746-06-3

>  <URL> (1,272)
N/A

$$$$
WAY-333491
csChFnd80/08142011062D

 25 28  0  0  0  0  0  0  0  0999 V2000
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WAY-333434
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WAY-662864
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WAY-278752
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WAY-329594
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free base

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N/A

$$$$
WAY-329599
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N/A

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WAY-329603
csChFnd80/08142011062D

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free base

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N/A

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WAY-329598
csChFnd80/08142011062D

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others

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free base

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956910-48-8

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N/A

$$$$
WAY-329607
csChFnd80/08142011062D

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others

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free base

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956920-91-5

>  <URL> (1,281)
N/A

$$$$
WAY-278535
csChFnd80/08142011062D

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N/A

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WAY-278534
csChFnd80/08142011062D

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N/A

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WAY-299369
csChFnd80/08142011062D

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  7  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,284)
1285

>  <Formula> (1,284)
C15H15ClN2O3

>  <MolWeight> (1,284)
306.7442

>  <Cat> (1,284)
P3304

>  <Name> (1,284)
WAY-299369

>  <Synonyms> (1,284)
N/A

>  <Target> (1,284)
AR,DNA binding,GSK-3¦Á/¦Â,MDM4 and p53

>  <Form> (1,284)
free base

>  <CAS> (1,284)
1005078-45-4

>  <URL> (1,284)
N/A

$$$$
WAY-382818
csChFnd80/08142011062D

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  6  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,285)
1286

>  <Formula> (1,285)
C24H20N4O5

>  <MolWeight> (1,285)
444.4394

>  <Cat> (1,285)
P3418

>  <Name> (1,285)
WAY-382818

>  <Synonyms> (1,285)
N/A

>  <Target> (1,285)
mitogen-activated protein kinase phosphatase

>  <Form> (1,285)
free base

>  <CAS> (1,285)
1022922-35-5

>  <URL> (1,285)
N/A

$$$$
WAY-383270
csChFnd80/08142011062D

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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  6  5  1  0  0  0  0
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  8 12  1  0  0  0  0
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 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,286)
1287

>  <Formula> (1,286)
C23H24FN3O2S

>  <MolWeight> (1,286)
425.5189632

>  <Cat> (1,286)
P3419

>  <Name> (1,286)
WAY-383270

>  <Synonyms> (1,286)
N/A

>  <Target> (1,286)
Casein kinase 1¦Ä

>  <Form> (1,286)
free base

>  <CAS> (1,286)
1024284-84-1

>  <URL> (1,286)
N/A

$$$$
GI-566508
csChFnd80/08142011062D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  5  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,287)
1288

>  <Formula> (1,287)
C17H17N3S

>  <MolWeight> (1,287)
295.40198

>  <Cat> (1,287)
P3259

>  <Name> (1,287)
GI-566508

>  <Synonyms> (1,287)
N/A

>  <Target> (1,287)
EGFR 

>  <Form> (1,287)
free base

>  <CAS> (1,287)
1164458-14-3

>  <URL> (1,287)
N/A

$$$$
WAY-107407
csChFnd80/08142011062D

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  8 11  1  0  0  0  0
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M  END
>  <Mol_ID> (1,288)
1289

>  <Formula> (1,288)
C15H12N2O3

>  <MolWeight> (1,288)
268.26738

>  <Cat> (1,288)
P3262

>  <Name> (1,288)
WAY-107407

>  <Synonyms> (1,288)
N/A

>  <Target> (1,288)
PI3K

>  <Form> (1,288)
free base

>  <CAS> (1,288)
1164469-67-3

>  <URL> (1,288)
N/A

$$$$
WAY-114506
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,289)
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>  <Formula> (1,289)
C10H18N4O4

>  <MolWeight> (1,289)
258.27432

>  <Cat> (1,289)
P3265

>  <Name> (1,289)
WAY-114506

>  <Synonyms> (1,289)
N/A

>  <Target> (1,289)
amyloid beta

>  <Form> (1,289)
free base

>  <CAS> (1,289)
1164500-43-9

>  <URL> (1,289)
N/A

$$$$
WAY-221060-A
csChFnd80/08142011062D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,290)
1291

>  <Formula> (1,290)
C17H25NO

>  <MolWeight> (1,290)
259.3865

>  <Cat> (1,290)
P3266

>  <Name> (1,290)
WAY-221060-A

>  <Synonyms> (1,290)
N/A

>  <Target> (1,290)
hOCT1 and hOCT2,JARID1A and JARID1B

>  <Form> (1,290)
free base

>  <CAS> (1,290)
1351406-38-6

>  <URL> (1,290)
N/A

$$$$
WAY-240932
csChFnd80/08142011062D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,291)
1292

>  <Formula> (1,291)
C15H11BrN2O2S

>  <MolWeight> (1,291)
363.22904

>  <Cat> (1,291)
P3269

>  <Name> (1,291)
WAY-240932

>  <Synonyms> (1,291)
N/A

>  <Target> (1,291)
serine/threonine kinase

>  <Form> (1,291)
free base

>  <CAS> (1,291)
326914-66-3

>  <URL> (1,291)
N/A

$$$$
WAY-299590
csChFnd80/08142011062D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,292)
1293

>  <Formula> (1,292)
C19H20FNO

>  <MolWeight> (1,292)
297.3666032

>  <Cat> (1,292)
P3305

>  <Name> (1,292)
WAY-299590

>  <Synonyms> (1,292)
N/A

>  <Target> (1,292)
InhA,p38a

>  <Form> (1,292)
free base

>  <CAS> (1,292)
260428-61-3

>  <URL> (1,292)
N/A

$$$$
WAY-300062
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,293)
1294

>  <Formula> (1,293)
C16H16N4O2S

>  <MolWeight> (1,293)
328.38884

>  <Cat> (1,293)
P3307

>  <Name> (1,293)
WAY-300062

>  <Synonyms> (1,293)
N/A

>  <Target> (1,293)
Anti-infection

>  <Form> (1,293)
free base

>  <CAS> (1,293)
330990-68-6

>  <URL> (1,293)
N/A

$$$$
WAY-299721
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,294)
1295

>  <Formula> (1,294)
C18H15ClF3N5OS

>  <MolWeight> (1,294)
441.8578096

>  <Cat> (1,294)
P3306

>  <Name> (1,294)
WAY-299721

>  <Synonyms> (1,294)
N/A

>  <Target> (1,294)
SYK kinase

>  <Form> (1,294)
free base

>  <CAS> (1,294)
338427-78-4

>  <URL> (1,294)
N/A

$$$$
WAY-300385
csChFnd80/08142011062D

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 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 18 20  2  0  0  0  0
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M  END
>  <Mol_ID> (1,295)
1296

>  <Formula> (1,295)
C13H15N3O2S2

>  <MolWeight> (1,295)
309.4071

>  <Cat> (1,295)
P3308

>  <Name> (1,295)
WAY-300385

>  <Synonyms> (1,295)
N/A

>  <Target> (1,295)
Anti-infection

>  <Form> (1,295)
free base

>  <CAS> (1,295)
500188-71-6

>  <URL> (1,295)
N/A

$$$$
WAY-300442
csChFnd80/08142011062D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  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> (1,296)
1297

>  <Formula> (1,296)
C18H11BrN2O4

>  <MolWeight> (1,296)
399.19494

>  <Cat> (1,296)
P3309

>  <Name> (1,296)
WAY-300442

>  <Synonyms> (1,296)
N/A

>  <Target> (1,296)
ATP-kinase

>  <Form> (1,296)
free base

>  <CAS> (1,296)
333773-08-3

>  <URL> (1,296)
N/A

$$$$
WAY-384934
csChFnd80/08142011062D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
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  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  6  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
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 25 17  1  0  0  0  0
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 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> (1,297)
1298

>  <Formula> (1,297)
C24H22N4O2

>  <MolWeight> (1,297)
398.45708

>  <Cat> (1,297)
P3420

>  <Name> (1,297)
WAY-384934

>  <Synonyms> (1,297)
N/A

>  <Target> (1,297)
pyruvate kinase

>  <Form> (1,297)
free base

>  <CAS> (1,297)
498568-75-5

>  <URL> (1,297)
N/A

$$$$
WAY-388796
csChFnd80/08142011062D

 15 17  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
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 15 14  1  0  0  0  0
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 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,298)
1299

>  <Formula> (1,298)
C11H11ClN2S

>  <MolWeight> (1,298)
238.73644

>  <Cat> (1,298)
P3421

>  <Name> (1,298)
WAY-388796

>  <Synonyms> (1,298)
N/A

>  <Target> (1,298)
PDE5,PARP-1,PDE4,LIMK1,c-Met

>  <Form> (1,298)
free base

>  <CAS> (1,298)
40106-58-9

>  <URL> (1,298)
N/A

$$$$
WAY-388798
csChFnd80/08142011062D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,299)
1300

>  <Formula> (1,299)
C7H5ClN2OS

>  <MolWeight> (1,299)
200.6454

>  <Cat> (1,299)
P3422

>  <Name> (1,299)
WAY-388798

>  <Synonyms> (1,299)
N/A

>  <Target> (1,299)
GPR40,histone deacetylase,mGluR5 receptor

>  <Form> (1,299)
free base

>  <CAS> (1,299)
63417-81-2

>  <URL> (1,299)
N/A

$$$$
WAY-346940
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,300)
1301

>  <Formula> (1,300)
C15H11ClN4O2S

>  <MolWeight> (1,300)
346.79144

>  <Cat> (1,300)
P3391

>  <Name> (1,300)
WAY-346940

>  <Synonyms> (1,300)
N/A

>  <Target> (1,300)
Rho

>  <Form> (1,300)
free base

>  <CAS> (1,300)
392246-66-1

>  <URL> (1,300)
N/A

$$$$
WAY-347243
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,301)
1302

>  <Formula> (1,301)
C11H13N3S

>  <MolWeight> (1,301)
219.30602

>  <Cat> (1,301)
P3392

>  <Name> (1,301)
WAY-347243

>  <Synonyms> (1,301)
N/A

>  <Target> (1,301)
Anti-infection

>  <Form> (1,301)
free base

>  <CAS> (1,301)
422298-69-9

>  <URL> (1,301)
N/A

$$$$
WAY-347626
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,302)
1303

>  <Formula> (1,302)
C17H15N3O3

>  <MolWeight> (1,302)
309.3193

>  <Cat> (1,302)
P3393

>  <Name> (1,302)
WAY-347626

>  <Synonyms> (1,302)
N/A

>  <Target> (1,302)
CDK2

>  <Form> (1,302)
free base

>  <CAS> (1,302)
756843-31-9

>  <URL> (1,302)
N/A

$$$$
WAY-347806
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,303)
1304

>  <Formula> (1,303)
C17H13FN2O4S

>  <MolWeight> (1,303)
360.3595232

>  <Cat> (1,303)
P3394

>  <Name> (1,303)
WAY-347806

>  <Synonyms> (1,303)
N/A

>  <Target> (1,303)
CK2,GSK3¦Â

>  <Form> (1,303)
free base

>  <CAS> (1,303)
757198-76-8

>  <URL> (1,303)
N/A

$$$$
WAY-348144
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,304)
1305

>  <Formula> (1,304)
C17H14N4O2S

>  <MolWeight> (1,304)
338.38366

>  <Cat> (1,304)
P3395

>  <Name> (1,304)
WAY-348144

>  <Synonyms> (1,304)
N/A

>  <Target> (1,304)
Casein kinase 1¦Ä

>  <Form> (1,304)
free base

>  <CAS> (1,304)
764694-25-9

>  <URL> (1,304)
N/A

$$$$
WAY-349807
csChFnd80/08142011062D

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 11  7  1  0  0  0  0
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 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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 26 20  1  0  0  0  0
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 29  9  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> (1,305)
1306

>  <Formula> (1,305)
C28H26ClN3O3

>  <MolWeight> (1,305)
487.97734

>  <Cat> (1,305)
P3397

>  <Name> (1,305)
WAY-349807

>  <Synonyms> (1,305)
N/A

>  <Target> (1,305)
Pim-1

>  <Form> (1,305)
free base

>  <CAS> (1,305)
544662-95-5

>  <URL> (1,305)
N/A

$$$$
WAY-349858
csChFnd80/08142011062D

 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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   13.9417   -8.8125    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
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 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> (1,306)
1307

>  <Formula> (1,306)
C15H16N2O4S

>  <MolWeight> (1,306)
320.36354

>  <Cat> (1,306)
P3398

>  <Name> (1,306)
WAY-349858

>  <Synonyms> (1,306)
N/A

>  <Target> (1,306)
c-Jun N-terminal kinase

>  <Form> (1,306)
free base

>  <CAS> (1,306)
771503-50-5

>  <URL> (1,306)
N/A

$$$$
WAY-350732
csChFnd80/08142011062D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
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  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
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 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 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> (1,307)
1308

>  <Formula> (1,307)
C13H11BrN2O2S

>  <MolWeight> (1,307)
339.20764

>  <Cat> (1,307)
P3399

>  <Name> (1,307)
WAY-350732

>  <Synonyms> (1,307)
N/A

>  <Target> (1,307)
c-Jun N-terminal kinase

>  <Form> (1,307)
free base

>  <CAS> (1,307)
438602-71-2

>  <URL> (1,307)
N/A

$$$$
WAY-351429
csChFnd80/08142011062D

 28 30  0  0  0  0  0  0  0  0999 V2000
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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
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  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> (1,308)
1309

>  <Formula> (1,308)
C21H23N3O4

>  <MolWeight> (1,308)
381.42502

>  <Cat> (1,308)
P3400

>  <Name> (1,308)
WAY-351429

>  <Synonyms> (1,308)
N/A

>  <Target> (1,308)
choline kinase

>  <Form> (1,308)
free base

>  <CAS> (1,308)
451474-95-6

>  <URL> (1,308)
N/A

$$$$
WAY-351783
csChFnd80/08142011062D

 30 32  0  0  0  0  0  0  0  0999 V2000
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   10.0167   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,309)
1310

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444.93444

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P3401

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WAY-351783

>  <Synonyms> (1,309)
N/A

>  <Target> (1,309)
creatin kinase

>  <Form> (1,309)
free base

>  <CAS> (1,309)
460994-47-2

>  <URL> (1,309)
N/A

$$$$
WAY-351812
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,310)
1311

>  <Formula> (1,310)
C15H14F3N3O3S

>  <MolWeight> (1,310)
373.3501696

>  <Cat> (1,310)
P3402

>  <Name> (1,310)
WAY-351812

>  <Synonyms> (1,310)
N/A

>  <Target> (1,310)
CDK8

>  <Form> (1,310)
free base

>  <CAS> (1,310)
471289-61-9

>  <URL> (1,310)
N/A

$$$$
WAY-352098
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,311)
1312

>  <Formula> (1,311)
C17H12F3N5O2S

>  <MolWeight> (1,311)
407.3696896

>  <Cat> (1,311)
P3403

>  <Name> (1,311)
WAY-352098

>  <Synonyms> (1,311)
N/A

>  <Target> (1,311)
PDK1,CRTH2

>  <Form> (1,311)
free base

>  <CAS> (1,311)
482643-39-0

>  <URL> (1,311)
N/A

$$$$
WAY-352753
csChFnd80/08142011062D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,312)
1313

>  <Formula> (1,312)
C14H10ClN3OS

>  <MolWeight> (1,312)
303.7667

>  <Cat> (1,312)
P3404

>  <Name> (1,312)
WAY-352753

>  <Synonyms> (1,312)
N/A

>  <Target> (1,312)
GSK-3

>  <Form> (1,312)
free base

>  <CAS> (1,312)
478482-74-5

>  <URL> (1,312)
N/A

$$$$
WAY-353591
csChFnd80/08142011062D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 17  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,313)
1314

>  <Formula> (1,313)
C16H12FN3S

>  <MolWeight> (1,313)
297.3499832

>  <Cat> (1,313)
P3406

>  <Name> (1,313)
WAY-353591

>  <Synonyms> (1,313)
N/A

>  <Target> (1,313)
Casein kinase 1d

>  <Form> (1,313)
free base

>  <CAS> (1,313)
454427-09-9

>  <URL> (1,313)
N/A

$$$$
WAY-353890
csChFnd80/08142011062D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
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>  <Name> (1,314)
WAY-353890

>  <Synonyms> (1,314)
N/A

>  <Target> (1,314)
FGFR1

>  <Form> (1,314)
free base

>  <CAS> (1,314)
459137-97-4

>  <URL> (1,314)
N/A

$$$$
WAY-354189
csChFnd80/08142011062D

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M  END
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1316

>  <Formula> (1,315)
C15H12Cl2N2O4S

>  <MolWeight> (1,315)
387.23778

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P3408

>  <Name> (1,315)
WAY-354189

>  <Synonyms> (1,315)
N/A

>  <Target> (1,315)
JAK-STAT

>  <Form> (1,315)
free base

>  <CAS> (1,315)
850019-35-1

>  <URL> (1,315)
N/A

$$$$
GI-570261
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,316)
1317

>  <Formula> (1,316)
C22H19N5O3S

>  <MolWeight> (1,316)
433.48296

>  <Cat> (1,316)
P3261

>  <Name> (1,316)
GI-570261

>  <Synonyms> (1,316)
N/A

>  <Target> (1,316)
LRP5/6-sclerostin interaction,phosphatidylin

>  <Form> (1,316)
free base

>  <CAS> (1,316)
301357-76-6

>  <URL> (1,316)
N/A

$$$$
WAY-352835
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,317)
1318

>  <Formula> (1,317)
C16H15N3OS

>  <MolWeight> (1,317)
297.3748

>  <Cat> (1,317)
P3405

>  <Name> (1,317)
WAY-352835

>  <Synonyms> (1,317)
N/A

>  <Target> (1,317)
tyrosine kinase

>  <Form> (1,317)
free base

>  <CAS> (1,317)
401638-52-6

>  <URL> (1,317)
N/A

$$$$
WAY-354831
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,318)
1319

>  <Formula> (1,318)
C15H10FN3O3

>  <MolWeight> (1,318)
299.2566032

>  <Cat> (1,318)
P3409

>  <Name> (1,318)
WAY-354831

>  <Synonyms> (1,318)
N/A

>  <Target> (1,318)
c-Met 

>  <Form> (1,318)
free base

>  <CAS> (1,318)
330572-32-2

>  <URL> (1,318)
N/A

$$$$
WAY-354890
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,319)
1320

>  <Formula> (1,319)
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P3410

>  <Name> (1,319)
WAY-354890

>  <Synonyms> (1,319)
N/A

>  <Target> (1,319)
EGFR 

>  <Form> (1,319)
free base

>  <CAS> (1,319)
852407-49-9

>  <URL> (1,319)
N/A

$$$$
WAY-355772
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,320)
1321

>  <Formula> (1,320)
C19H13F3N2O4S

>  <MolWeight> (1,320)
422.3777296

>  <Cat> (1,320)
P3411

>  <Name> (1,320)
WAY-355772

>  <Synonyms> (1,320)
N/A

>  <Target> (1,320)
serine/threonine kinase

>  <Form> (1,320)
free base

>  <CAS> (1,320)
442658-33-5

>  <URL> (1,320)
N/A

$$$$
WAY-357919
csChFnd80/08142011062D

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 16  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,321)
1322

>  <Formula> (1,321)
C18H16N2O2S

>  <MolWeight> (1,321)
324.39684

>  <Cat> (1,321)
P3412

>  <Name> (1,321)
WAY-357919

>  <Synonyms> (1,321)
N/A

>  <Target> (1,321)
VEGFR

>  <Form> (1,321)
free base

>  <CAS> (1,321)
298207-77-9

>  <URL> (1,321)
N/A

$$$$
WAY-358024
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,322)
1323

>  <Formula> (1,322)
C15H11N3O3

>  <MolWeight> (1,322)
281.26614

>  <Cat> (1,322)
P3413

>  <Name> (1,322)
WAY-358024

>  <Synonyms> (1,322)
N/A

>  <Target> (1,322)
GSK-3b

>  <Form> (1,322)
free base

>  <CAS> (1,322)
70169-39-0

>  <URL> (1,322)
N/A

$$$$
WAY-358667-A
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,323)
1324

>  <Formula> (1,323)
C12H8N2S2

>  <MolWeight> (1,323)
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>  <Cat> (1,323)
P3414

>  <Name> (1,323)
WAY-358667-A

>  <Synonyms> (1,323)
N/A

>  <Target> (1,323)
Human protein kinase CK2

>  <Form> (1,323)
free base

>  <CAS> (1,323)
182198-89-6

>  <URL> (1,323)
N/A

$$$$
WAY-358981
csChFnd80/08142011062D

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M  END
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>  <Cat> (1,324)
P3415

>  <Name> (1,324)
WAY-358981

>  <Synonyms> (1,324)
N/A

>  <Target> (1,324)
sphingosine kinase

>  <Form> (1,324)
free base

>  <CAS> (1,324)
307322-32-3

>  <URL> (1,324)
N/A

$$$$
WAY-359594
csChFnd80/08142011062D

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 21  9  2  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> (1,325)
1326

>  <Formula> (1,325)
C23H21N3O2

>  <MolWeight> (1,325)
371.43174

>  <Cat> (1,325)
P3416

>  <Name> (1,325)
WAY-359594

>  <Synonyms> (1,325)
N/A

>  <Target> (1,325)
G protein coupled receptor 6 kinase

>  <Form> (1,325)
free base

>  <CAS> (1,325)
33495-39-5

>  <URL> (1,325)
N/A

$$$$
WAY-381785
csChFnd80/08142011062D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 17 14  2  0  0  0  0
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 21 10  1  0  0  0  0
 22 12  1  0  0  0  0
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 10  9  2  0  0  0  0
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 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,326)
1327

>  <Formula> (1,326)
C20H23N3O

>  <MolWeight> (1,326)
321.41612

>  <Cat> (1,326)
P3417

>  <Name> (1,326)
WAY-381785

>  <Synonyms> (1,326)
N/A

>  <Target> (1,326)
GSK3

>  <Form> (1,326)
free base

>  <CAS> (1,326)
511239-29-5

>  <URL> (1,326)
N/A

$$$$
WAY-313201
csChFnd80/08142011062D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
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 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,327)
1328

>  <Formula> (1,327)
C12H12N2O3S

>  <MolWeight> (1,327)
264.30028

>  <Cat> (1,327)
P3320

>  <Name> (1,327)
WAY-313201

>  <Synonyms> (1,327)
N/A

>  <Target> (1,327)
 GSK-3b

>  <Form> (1,327)
free base

>  <CAS> (1,327)
571904-77-3

>  <URL> (1,327)
N/A

$$$$
WAY-311972
csChFnd80/08142011062D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  9 11  1  0  0  0  0
  3  7  2  0  0  0  0
 14 13  2  0  0  0  0
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M  END
>  <Mol_ID> (1,328)
1329

>  <Formula> (1,328)
C21H18BrN3O3

>  <MolWeight> (1,328)
440.28992

>  <Cat> (1,328)
P3315

>  <Name> (1,328)
WAY-311972

>  <Synonyms> (1,328)
N/A

>  <Target> (1,328)
ATP-kinases

>  <Form> (1,328)
free base

>  <CAS> (1,328)
606948-76-9

>  <URL> (1,328)
N/A

$$$$
WAY-113178
csChFnd80/08142011062D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,329)
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>  <MolWeight> (1,329)
391.44298

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P3263

>  <Name> (1,329)
WAY-113178

>  <Synonyms> (1,329)
N/A

>  <Target> (1,329)
IkB kinase-beta 

>  <Form> (1,329)
free base

>  <CAS> (1,329)
638999-98-1

>  <URL> (1,329)
N/A

$$$$
WAY-225588
csChFnd80/08142011062D

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 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,330)
1331

>  <Formula> (1,330)
C17H15N3O

>  <MolWeight> (1,330)
277.3205

>  <Cat> (1,330)
P3267

>  <Name> (1,330)
WAY-225588

>  <Synonyms> (1,330)
N/A

>  <Target> (1,330)
GRK6

>  <Form> (1,330)
free base

>  <CAS> (1,330)
6765-52-2

>  <URL> (1,330)
N/A

$$$$
WAY-312602
csChFnd80/08142011062D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 18  3  0  0  0  0
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 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,331)
1332

>  <Formula> (1,331)
C17H17N5O3

>  <MolWeight> (1,331)
339.34858

>  <Cat> (1,331)
P3318

>  <Name> (1,331)
WAY-312602

>  <Synonyms> (1,331)
N/A

>  <Target> (1,331)
maternal embryonic leucine zipper kinase

>  <Form> (1,331)
free base

>  <CAS> (1,331)
681266-13-7

>  <URL> (1,331)
N/A

$$$$
WAY-344977
csChFnd80/08142011062D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 14  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,332)
1333

>  <Formula> (1,332)
C17H17ClN4O2S

>  <MolWeight> (1,332)
376.86048

>  <Cat> (1,332)
P3389

>  <Name> (1,332)
WAY-344977

>  <Synonyms> (1,332)
N/A

>  <Target> (1,332)
GSK-3

>  <Form> (1,332)
free base

>  <CAS> (1,332)
686743-57-7

>  <URL> (1,332)
N/A

$$$$
WAY-310507
csChFnd80/08142011062D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,333)
1334

>  <Formula> (1,333)
C11H10N4O2S

>  <MolWeight> (1,333)
262.2877

>  <Cat> (1,333)
P3311

>  <Name> (1,333)
WAY-310507

>  <Synonyms> (1,333)
N/A

>  <Target> (1,333)
Anti-infection

>  <Form> (1,333)
free base

>  <CAS> (1,333)
686743-93-1

>  <URL> (1,333)
N/A

$$$$
WAY-310944
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,334)
1335

>  <Formula> (1,334)
C11H10N2O2S2

>  <MolWeight> (1,334)
266.3393

>  <Cat> (1,334)
P3313

>  <Name> (1,334)
WAY-310944

>  <Synonyms> (1,334)
N/A

>  <Target> (1,334)
Anti-infection

>  <Form> (1,334)
free base

>  <CAS> (1,334)
688335-53-7

>  <URL> (1,334)
N/A

$$$$
WAY-310334
csChFnd80/08142011062D

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WAY-616312
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   14.6250   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -6.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -7.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -6.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 17  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10 13  1  0  0  0  0
 11  3  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  2  0  0  0  0
 15  2  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18  6  2  0  0  0  0
 19 10  2  0  0  0  0
 20 16  1  0  0  0  0
 21 22  2  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24  5  1  0  0  0  0
 25 23  1  0  0  0  0
 26  6  1  0  0  0  0
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 28 22  1  0  0  0  0
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 30 25  1  0  0  0  0
  4  8  1  0  0  0  0
  9  7  2  0  0  0  0
 29 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,340)
1341

>  <Formula> (1,340)
C22H26N2O5S

>  <MolWeight> (1,340)
430.51724

>  <Cat> (1,340)
P3377

>  <Name> (1,340)
WAY-330162

>  <Synonyms> (1,340)
N/A

>  <Target> (1,340)
Kinase

>  <Form> (1,340)
free base

>  <CAS> (1,340)
868963-46-6

>  <URL> (1,340)
N/A

$$$$
WAY-333883
csChFnd80/08142011062D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -12.3542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3542    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -16.0000    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15  6  2  0  0  0  0
 16 11  2  0  0  0  0
 17 19  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 12  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
  7  9  2  0  0  0  0
  6  5  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,341)
1342

>  <Formula> (1,341)
C16H16Cl2N4O

>  <MolWeight> (1,341)
351.23044

>  <Cat> (1,341)
P3382

>  <Name> (1,341)
WAY-333883

>  <Synonyms> (1,341)
N/A

>  <Target> (1,341)
pyruvate kinase

>  <Form> (1,341)
free base

>  <CAS> (1,341)
863448-35-5

>  <URL> (1,341)
N/A

$$$$
WAY-333875
csChFnd80/08142011062D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -12.3542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3542    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9333    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 22  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  2  0  0  0  0
 23 13  1  0  0  0  0
  7 10  2  0  0  0  0
  6  5  1  0  0  0  0
 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,342)
1343

>  <Formula> (1,342)
C16H16ClFN4O

>  <MolWeight> (1,342)
334.7758432

>  <Cat> (1,342)
P3380

>  <Name> (1,342)
WAY-333875

>  <Synonyms> (1,342)
N/A

>  <Target> (1,342)
pyruvate kinase

>  <Form> (1,342)
free base

>  <CAS> (1,342)
863448-22-0

>  <URL> (1,342)
N/A

$$$$
WAY-333878
csChFnd80/08142011062D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -12.3542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3542    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7292    7.8917    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  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  1  0  0  0  0
 23 17  1  0  0  0  0
  7  9  2  0  0  0  0
  6  5  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,343)
1344

>  <Formula> (1,343)
C18H22N4O

>  <MolWeight> (1,343)
310.39348

>  <Cat> (1,343)
P3381

>  <Name> (1,343)
WAY-333878

>  <Synonyms> (1,343)
N/A

>  <Target> (1,343)
pyruvate kinase

>  <Form> (1,343)
free base

>  <CAS> (1,343)
863448-25-3

>  <URL> (1,343)
N/A

$$$$
WAY-329412
csChFnd80/08142011062D

 33 37  0  0  0  0  0  0  0  0999 V2000
   14.2375  -10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7875  -12.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4000  -11.1125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   12.9500  -13.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4000   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9000   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14  5  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 17  9  2  0  0  0  0
 18 15  2  0  0  0  0
 19  2  1  0  0  0  0
 20  6  2  0  0  0  0
 21  7  2  0  0  0  0
 22 18  1  0  0  0  0
 23 10  1  0  0  0  0
 24 15  1  0  0  0  0
 25 13  1  0  0  0  0
 26 18  1  0  0  0  0
 27 22  1  0  0  0  0
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 30 23  2  0  0  0  0
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 32 30  1  0  0  0  0
 33 31  1  0  0  0  0
 11 13  1  0  0  0  0
 25 32  2  0  0  0  0
  5  7  1  0  0  0  0
 29 21  1  0  0  0  0
 33 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,344)
1345

>  <Formula> (1,344)
C27H25N3O3

>  <MolWeight> (1,344)
439.5057

>  <Cat> (1,344)
P3365

>  <Name> (1,344)
WAY-329412

>  <Synonyms> (1,344)
N/A

>  <Target> (1,344)
Abl

>  <Form> (1,344)
free base

>  <CAS> (1,344)
943932-69-2

>  <URL> (1,344)
N/A

$$$$
WAY-329689
csChFnd80/08142011062D

 36 40  0  0  0  0  0  0  0  0999 V2000
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N/A

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WAY-329424
csChFnd80/08142011062D

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free base

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943933-52-6

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N/A

$$$$
WAY-329686
csChFnd80/08142011062D

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free base

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943934-31-4

>  <URL> (1,347)
N/A

$$$$
WAY-329410
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N/A

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WAY-329685
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>  <Synonyms> (1,349)
N/A

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Abl

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free base

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943934-25-6

>  <URL> (1,349)
N/A

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WAY-329423
csChFnd80/08142011062D

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>  <Synonyms> (1,350)
N/A

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Abl

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free base

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943933-49-1

>  <URL> (1,350)
N/A

$$$$
WAY-329356
csChFnd80/08142011062D

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Abl

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>  <URL> (1,351)
N/A

$$$$
WAY-329341
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Abl

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free base

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943931-29-1

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N/A

$$$$
WAY-329340
csChFnd80/08142011062D

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N/A

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Abl

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free base

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943931-23-5

>  <URL> (1,353)
N/A

$$$$
WAY-641918
csChFnd80/08142011062D

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WAY-641918

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N/A

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TAO kinase

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free base

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850467-77-5

>  <URL> (1,354)
N/A

$$$$
WAY-278459-A
csChFnd80/08142011062D

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>  <Mol_ID> (1,355)
1356

>  <Formula> (1,355)
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>  <Synonyms> (1,355)
N/A

>  <Target> (1,355)
Plasmodium falciparum Apical Membrane Antige

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free base

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105512-88-7

>  <URL> (1,355)
N/A

$$$$
WAY-643895
csChFnd80/08142011062D

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>  <Mol_ID> (1,356)
1357

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WAY-643895

>  <Synonyms> (1,356)
N/A

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free base

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851871-94-8

>  <URL> (1,356)
N/A

$$$$
WAY-278559-A
csChFnd80/08142011062D

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>  <Mol_ID> (1,357)
1358

>  <Formula> (1,357)
C17H23N3O

>  <MolWeight> (1,357)
285.38402

>  <Cat> (1,357)
P3294

>  <Name> (1,357)
WAY-278559-A

>  <Synonyms> (1,357)
N/A

>  <Target> (1,357)
ethanolamine kinase

>  <Form> (1,357)
free base

>  <CAS> (1,357)
301330-81-4

>  <URL> (1,357)
N/A

$$$$
WAY-642481
csChFnd80/08142011062D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11 10  1  0  0  0  0
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  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> (1,358)
1359

>  <Formula> (1,358)
C17H16N2OS

>  <MolWeight> (1,358)
296.38674

>  <Cat> (1,358)
P3501

>  <Name> (1,358)
WAY-642481

>  <Synonyms> (1,358)
N/A

>  <Target> (1,358)
CDK

>  <Form> (1,358)
free base

>  <CAS> (1,358)
22312-45-4

>  <URL> (1,358)
N/A

$$$$
WAY-643632-A
csChFnd80/08142011062D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  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> (1,359)
1360

>  <Formula> (1,359)
C11H14N2O2

>  <MolWeight> (1,359)
206.24106

>  <Cat> (1,359)
P3502

>  <Name> (1,359)
WAY-643632-A

>  <Synonyms> (1,359)
N/A

>  <Target> (1,359)
SRC kinase,TTX-S channel

>  <Form> (1,359)
free base

>  <CAS> (1,359)
500356-88-7

>  <URL> (1,359)
N/A

$$$$
WAY-616763
csChFnd80/08142011062D

 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> (1,360)
1361

>  <Formula> (1,360)
C18H15Cl2N3O4S

>  <MolWeight> (1,360)
440.3004

>  <Cat> (1,360)
P3456

>  <Name> (1,360)
WAY-616763

>  <Synonyms> (1,360)
N/A

>  <Target> (1,360)
Anti-infection

>  <Form> (1,360)
free base

>  <CAS> (1,360)
735303-62-5

>  <URL> (1,360)
N/A

$$$$
WAY-641966
csChFnd80/08142011062D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.2667    0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -0.0500    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
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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
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 16  8  1  0  0  0  0
 17  8  2  0  0  0  0
 18 12  1  0  0  0  0
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 20 11  2  0  0  0  0
 21 13  2  0  0  0  0
 22 17  1  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> (1,361)
1362

>  <Formula> (1,361)
C20H16N4

>  <MolWeight> (1,361)
312.36784

>  <Cat> (1,361)
P3499

>  <Name> (1,361)
WAY-641966

>  <Synonyms> (1,361)
N/A

>  <Target> (1,361)
TGF-¦Â,p38-¦Á

>  <Form> (1,361)
free base

>  <CAS> (1,361)
259870-32-1

>  <URL> (1,361)
N/A

$$$$
WAY-642424
csChFnd80/08142011062D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 16 25  2  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  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 20  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 11  1  0  0  0  0
 27 11  2  0  0  0  0
  3  5  1  0  0  0  0
 21 20  1  0  0  0  0
 16 24  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,362)
1363

>  <Formula> (1,362)
C19H14FN5OS

>  <MolWeight> (1,362)
379.4107632

>  <Cat> (1,362)
P3500

>  <Name> (1,362)
WAY-642424

>  <Synonyms> (1,362)
N/A

>  <Target> (1,362)
Casein kinase 1¦Ä

>  <Form> (1,362)
free base

>  <CAS> (1,362)
851396-73-1

>  <URL> (1,362)
N/A

$$$$
WAY-329592
csChFnd80/08142011062D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,363)
1364

>  <Formula> (1,363)
C22H25BrN2O4S

>  <MolWeight> (1,363)
493.4139

>  <Cat> (1,363)
P3368

>  <Name> (1,363)
WAY-329592

>  <Synonyms> (1,363)
N/A

>  <Target> (1,363)
tyrosine kinase

>  <Form> (1,363)
free base

>  <CAS> (1,363)
868963-53-5

>  <URL> (1,363)
N/A

$$$$
WAY-333939
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,364)
1365

>  <Formula> (1,364)
C19H21N5O2

>  <MolWeight> (1,364)
351.40234

>  <Cat> (1,364)
P3384

>  <Name> (1,364)
WAY-333939

>  <Synonyms> (1,364)
N/A

>  <Target> (1,364)
Anti-infection

>  <Form> (1,364)
free base

>  <CAS> (1,364)
689268-14-2

>  <URL> (1,364)
N/A

$$$$
WAY-333908
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,365)
1366

>  <Formula> (1,365)
C17H12N6O2

>  <MolWeight> (1,365)
332.31618

>  <Cat> (1,365)
P3383

>  <Name> (1,365)
WAY-333908

>  <Synonyms> (1,365)
N/A

>  <Target> (1,365)
others

>  <Form> (1,365)
free base

>  <CAS> (1,365)
689269-24-7

>  <URL> (1,365)
N/A

$$$$
WAY-333945
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,366)
1367

>  <Formula> (1,366)
C17H13N5O2S

>  <MolWeight> (1,366)
351.38242

>  <Cat> (1,366)
P3385

>  <Name> (1,366)
WAY-333945

>  <Synonyms> (1,366)
N/A

>  <Target> (1,366)
Anti-infection

>  <Form> (1,366)
free base

>  <CAS> (1,366)
689273-45-8

>  <URL> (1,366)
N/A

$$$$
WAY-616584
csChFnd80/08142011062D

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N/A

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Casein kinase 1¦Ä

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free base

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695223-53-1

>  <URL> (1,367)
N/A

$$$$
WAY-625530
csChFnd80/08142011062D

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WAY-625530

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N/A

>  <Target> (1,368)
FGFR1

>  <Form> (1,368)
free base

>  <CAS> (1,368)
956782-57-3

>  <URL> (1,368)
N/A

$$$$
WAY-625741
csChFnd80/08142011062D

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WAY-625741

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N/A

>  <Target> (1,369)
Casein kinase 1d

>  <Form> (1,369)
free base

>  <CAS> (1,369)
756857-71-3

>  <URL> (1,369)
N/A

$$$$
WAY-626116
csChFnd80/08142011062D

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WAY-626116

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N/A

>  <Target> (1,370)
Casein kinase 1d

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free base

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753468-25-6

>  <URL> (1,370)
N/A

$$$$
WAY-273170
csChFnd80/08142011062D

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WAY-273170

>  <Synonyms> (1,371)
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>  <Target> (1,371)
Myt1

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free base

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478247-52-8

>  <URL> (1,371)
N/A

$$$$
WAY-277054
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,372)
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C16H11ClFN3OS2

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WAY-277054

>  <Synonyms> (1,372)
N/A

>  <Target> (1,372)
tyrosine kinase

>  <Form> (1,372)
free base

>  <CAS> (1,372)
753467-39-9?

>  <URL> (1,372)
N/A

$$$$
WAY-336715
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,373)
1374

>  <Formula> (1,373)
C21H20N4OS

>  <MolWeight> (1,373)
376.4747

>  <Cat> (1,373)
P3386

>  <Name> (1,373)
WAY-336715

>  <Synonyms> (1,373)
N/A

>  <Target> (1,373)
CDK8

>  <Form> (1,373)
free base

>  <CAS> (1,373)
451458-32-5

>  <URL> (1,373)
N/A

$$$$
WAY-337647
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,374)
1375

>  <Formula> (1,374)
C15H12ClNO4

>  <MolWeight> (1,374)
305.71308

>  <Cat> (1,374)
P3387

>  <Name> (1,374)
WAY-337647

>  <Synonyms> (1,374)
N/A

>  <Target> (1,374)
f mitogen-activated protein kinase kinase 4

>  <Form> (1,374)
free base

>  <CAS> (1,374)
1402605-80-4

>  <URL> (1,374)
N/A

$$$$
WAY-612453
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,375)
1376

>  <Formula> (1,375)
C9H8Cl2N4S

>  <MolWeight> (1,375)
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>  <Cat> (1,375)
P3446

>  <Name> (1,375)
WAY-612453

>  <Synonyms> (1,375)
N/A

>  <Target> (1,375)
Anti-infection

>  <Form> (1,375)
free base

>  <CAS> (1,375)
300809-10-3

>  <URL> (1,375)
N/A

$$$$
WAY-612622
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,376)
1377

>  <Formula> (1,376)
C16H11FN2O2

>  <MolWeight> (1,376)
282.2691432

>  <Cat> (1,376)
P3447

>  <Name> (1,376)
WAY-612622

>  <Synonyms> (1,376)
N/A

>  <Target> (1,376)
CDK

>  <Form> (1,376)
free base

>  <CAS> (1,376)
288401-60-5

>  <URL> (1,376)
N/A

$$$$
WAY-612698
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,377)
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WAY-612698

>  <Synonyms> (1,377)
N/A

>  <Target> (1,377)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,377)
free base

>  <CAS> (1,377)
565191-45-9

>  <URL> (1,377)
N/A

$$$$
WAY-612763
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,378)
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>  <Formula> (1,378)
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>  <Name> (1,378)
WAY-612763

>  <Synonyms> (1,378)
N/A

>  <Target> (1,378)
YycG histidine kinase

>  <Form> (1,378)
free base

>  <CAS> (1,378)
479060-67-8

>  <URL> (1,378)
N/A

$$$$
WAY-630308
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,379)
1380

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C16H21N3O3

>  <MolWeight> (1,379)
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>  <Cat> (1,379)
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>  <Name> (1,379)
WAY-630308

>  <Synonyms> (1,379)
N/A

>  <Target> (1,379)
Casein kinase 1¦Ä

>  <Form> (1,379)
free base

>  <CAS> (1,379)
326034-30-4

>  <URL> (1,379)
N/A

$$$$
WAY-630363
csChFnd80/08142011062D

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>  <Mol_ID> (1,380)
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>  <Formula> (1,380)
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>  <MolWeight> (1,380)
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>  <Cat> (1,380)
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>  <Name> (1,380)
WAY-630363

>  <Synonyms> (1,380)
N/A

>  <Target> (1,380)
Casein kinase 1¦Ä

>  <Form> (1,380)
free base

>  <CAS> (1,380)
729579-66-2

>  <URL> (1,380)
N/A

$$$$
WAY-647361
csChFnd80/08142011062D

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>  <Mol_ID> (1,381)
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>  <MolWeight> (1,381)
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>  <Name> (1,381)
WAY-647361

>  <Synonyms> (1,381)
N/A

>  <Target> (1,381)
 PI3K

>  <Form> (1,381)
free base

>  <CAS> (1,381)
852399-94-1

>  <URL> (1,381)
N/A

$$$$
WAY-647636
csChFnd80/08142011062D

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M  END
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WAY-647636

>  <Synonyms> (1,382)
N/A

>  <Target> (1,382)
Casein kinase 1¦Ä

>  <Form> (1,382)
free base

>  <CAS> (1,382)
556055-08-4

>  <URL> (1,382)
N/A

$$$$
WAY-647729
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,383)
1384

>  <Formula> (1,383)
C16H11N3OS

>  <MolWeight> (1,383)
293.34304

>  <Cat> (1,383)
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>  <Name> (1,383)
WAY-647729

>  <Synonyms> (1,383)
N/A

>  <Target> (1,383)
CDK

>  <Form> (1,383)
free base

>  <CAS> (1,383)
852678-17-2

>  <URL> (1,383)
N/A

$$$$
WAY-647766
csChFnd80/08142011062D

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>  <Mol_ID> (1,384)
1385

>  <Formula> (1,384)
C16H12N6S

>  <MolWeight> (1,384)
320.37168

>  <Cat> (1,384)
P3507

>  <Name> (1,384)
WAY-647766

>  <Synonyms> (1,384)
N/A

>  <Target> (1,384)
Casein kinase 1¦Ä

>  <Form> (1,384)
free base

>  <CAS> (1,384)
851168-98-4

>  <URL> (1,384)
N/A

$$$$
WAY-647802
csChFnd80/08142011062D

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>  <Mol_ID> (1,385)
1386

>  <Formula> (1,385)
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>  <MolWeight> (1,385)
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>  <Cat> (1,385)
P3508

>  <Name> (1,385)
WAY-647802

>  <Synonyms> (1,385)
N/A

>  <Target> (1,385)
EGFR,CDK4 and 6

>  <Form> (1,385)
free base

>  <CAS> (1,385)
852225-20-8

>  <URL> (1,385)
N/A

$$$$
WAY-648936
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,386)
1387

>  <Formula> (1,386)
C13H10N4O

>  <MolWeight> (1,386)
238.2447

>  <Cat> (1,386)
P3509

>  <Name> (1,386)
WAY-648936

>  <Synonyms> (1,386)
N/A

>  <Target> (1,386)
CDK

>  <Form> (1,386)
free base

>  <CAS> (1,386)
796888-73-8

>  <URL> (1,386)
N/A

$$$$
WAY-649123
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,387)
1388

>  <Formula> (1,387)
C21H18N4

>  <MolWeight> (1,387)
326.39442

>  <Cat> (1,387)
P3510

>  <Name> (1,387)
WAY-649123

>  <Synonyms> (1,387)
N/A

>  <Target> (1,387)
TGF-¦Â,p38-a

>  <Form> (1,387)
free base

>  <CAS> (1,387)
801244-46-2

>  <URL> (1,387)
N/A

$$$$
WL-300778
csChFnd80/08142011062D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,388)
1389

>  <Formula> (1,388)
C8H7N3S

>  <MolWeight> (1,388)
177.22628

>  <Cat> (1,388)
P3532

>  <Name> (1,388)
WL-300778

>  <Synonyms> (1,388)
N/A

>  <Target> (1,388)
ROCK,Pteridine Reductase 1

>  <Form> (1,388)
free base

>  <CAS> (1,388)
802980-14-9

>  <URL> (1,388)
N/A

$$$$
CL-104773
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,389)
1390

>  <Formula> (1,389)
C17H14N2O

>  <MolWeight> (1,389)
262.30586

>  <Cat> (1,389)
P3253

>  <Name> (1,389)
CL-104773

>  <Synonyms> (1,389)
N/A

>  <Target> (1,389)
TLR, JAK2, fatty acid amide hydrolase

>  <Form> (1,389)
free base

>  <CAS> (1,389)
802980-92-3

>  <URL> (1,389)
N/A

$$$$
WAY-269040
csChFnd80/08142011062D

 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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M  END
>  <Mol_ID> (1,390)
1391

>  <Formula> (1,390)
C20H23N3OS

>  <MolWeight> (1,390)
353.48112

>  <Cat> (1,390)
P3271

>  <Name> (1,390)
WAY-269040

>  <Synonyms> (1,390)
N/A

>  <Target> (1,390)
Anti-infection

>  <Form> (1,390)
free base

>  <CAS> (1,390)
846065-09-6

>  <URL> (1,390)
N/A

$$$$
WAY-339696
csChFnd80/08142011062D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 16  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,391)
1392

>  <Formula> (1,391)
C16H11BrN2O3

>  <MolWeight> (1,391)
359.17414

>  <Cat> (1,391)
P3388

>  <Name> (1,391)
WAY-339696

>  <Synonyms> (1,391)
N/A

>  <Target> (1,391)
 EGFR-T790M/L858R

>  <Form> (1,391)
free base

>  <CAS> (1,391)
333419-97-9

>  <URL> (1,391)
N/A

$$$$
WAY-349290
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,392)
1393

>  <Formula> (1,392)
C12H7ClN2OS

>  <MolWeight> (1,392)
262.71478

>  <Cat> (1,392)
P3396

>  <Name> (1,392)
WAY-349290

>  <Synonyms> (1,392)
N/A

>  <Target> (1,392)
Pim,MCH receptor

>  <Form> (1,392)
free base

>  <CAS> (1,392)
215928-66-8

>  <URL> (1,392)
N/A

$$$$
WAY-613473
csChFnd80/08142011062D

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free base

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301357-74-4

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N/A

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WAY-613991
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free base

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565167-37-5

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N/A

$$$$
WAY-630998
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p38a

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free base

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251106-30-6

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N/A

$$$$
WAY-631127
csChFnd80/08142011062D

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Casein kinase 1¦Ä

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free base

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756849-12-4

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N/A

$$$$
WAY-631545
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681260-56-0

>  <URL> (1,397)
N/A

$$$$
WAY-632021
csChFnd80/08142011062D

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>  <Synonyms> (1,398)
N/A

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TIE-2,Raf,phosphodiesterase V

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free base

>  <CAS> (1,398)
742094-64-0

>  <URL> (1,398)
N/A

$$$$
WAY-632323
csChFnd80/08142011062D

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N/A

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Casein kinase 1¦Ä

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free base

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782457-22-1

>  <URL> (1,399)
N/A

$$$$
WAY-650313
csChFnd80/08142011062D

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>  <Synonyms> (1,400)
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Casein kinase 1¦Ä

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free base

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847772-08-1

>  <URL> (1,400)
N/A

$$$$
WAY-650886
csChFnd80/08142011062D

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WAY-650886

>  <Synonyms> (1,401)
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Casein kinase 1¦Ä

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free base

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848066-61-5

>  <URL> (1,401)
N/A

$$$$
WAY-651445
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>  <Name> (1,402)
WAY-651445

>  <Synonyms> (1,402)
N/A

>  <Target> (1,402)
LIMK1£¬IkB

>  <Form> (1,402)
free base

>  <CAS> (1,402)
848289-47-4

>  <URL> (1,402)
N/A

$$$$
GI-555736
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,403)
1404

>  <Formula> (1,403)
C14H12N2

>  <MolWeight> (1,403)
208.25848

>  <Cat> (1,403)
P3257

>  <Name> (1,403)
GI-555736

>  <Synonyms> (1,403)
N/A

>  <Target> (1,403)
PDGFR

>  <Form> (1,403)
free base

>  <CAS> (1,403)
848342-16-5

>  <URL> (1,403)
N/A

$$$$
WAY-270318
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,404)
1405

>  <Formula> (1,404)
C14H14N4OS

>  <MolWeight> (1,404)
286.35216

>  <Cat> (1,404)
P3272

>  <Name> (1,404)
WAY-270318

>  <Synonyms> (1,404)
N/A

>  <Target> (1,404)
protein kinase

>  <Form> (1,404)
free base

>  <CAS> (1,404)
721964-48-3

>  <URL> (1,404)
N/A

$$$$
WAY-270329
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,405)
1406

>  <Formula> (1,405)
C21H18FN5O2S

>  <MolWeight> (1,405)
423.4633232

>  <Cat> (1,405)
P3273

>  <Name> (1,405)
WAY-270329

>  <Synonyms> (1,405)
N/A

>  <Target> (1,405)
protein kinase

>  <Form> (1,405)
free base

>  <CAS> (1,405)
721964-51-8

>  <URL> (1,405)
N/A

$$$$
WAY-270382
csChFnd80/08142011062D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,406)
1407

>  <Formula> (1,406)
C16H10N2O3S2

>  <MolWeight> (1,406)
342.3922

>  <Cat> (1,406)
P3274

>  <Name> (1,406)
WAY-270382

>  <Synonyms> (1,406)
N/A

>  <Target> (1,406)
Metallo-b-lactamase,ASK1

>  <Form> (1,406)
free base

>  <CAS> (1,406)
1427537-93-6

>  <URL> (1,406)
N/A

$$$$
WAY-270444
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,407)
1408

>  <Formula> (1,407)
C17H16N2O3

>  <MolWeight> (1,407)
296.32054

>  <Cat> (1,407)
P3275

>  <Name> (1,407)
WAY-270444

>  <Synonyms> (1,407)
N/A

>  <Target> (1,407)
Hsp90,PDK4,PPAR

>  <Form> (1,407)
free base

>  <CAS> (1,407)
394237-61-7

>  <URL> (1,407)
N/A

$$$$
WAY-270599
csChFnd80/08142011062D

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>  <Synonyms> (1,408)
N/A

>  <Target> (1,408)
FGFR1,TNFa

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free base

>  <CAS> (1,408)
397281-20-8

>  <URL> (1,408)
N/A

$$$$
WAY-270947
csChFnd80/08142011062D

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M  END
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1410

>  <Formula> (1,409)
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>  <MolWeight> (1,409)
412.24336

>  <Cat> (1,409)
P3277

>  <Name> (1,409)
WAY-270947

>  <Synonyms> (1,409)
N/A

>  <Target> (1,409)
ALK5

>  <Form> (1,409)
free base

>  <CAS> (1,409)
1198579-20-2

>  <URL> (1,409)
N/A

$$$$
WAY-270966
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,410)
1411

>  <Formula> (1,410)
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>  <MolWeight> (1,410)
408.33586

>  <Cat> (1,410)
P3278

>  <Name> (1,410)
WAY-270966

>  <Synonyms> (1,410)
N/A

>  <Target> (1,410)
p38

>  <Form> (1,410)
free base

>  <CAS> (1,410)
421578-44-1

>  <URL> (1,410)
N/A

$$$$
WAY-270968
csChFnd80/08142011062D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,411)
1412

>  <Formula> (1,411)
C16H13FN2OS2

>  <MolWeight> (1,411)
332.4156232

>  <Cat> (1,411)
P3279

>  <Name> (1,411)
WAY-270968

>  <Synonyms> (1,411)
N/A

>  <Target> (1,411)
p38

>  <Form> (1,411)
free base

>  <CAS> (1,411)
421578-46-3

>  <URL> (1,411)
N/A

$$$$
WAY-320509
csChFnd80/08142011062D

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1413

>  <Formula> (1,412)
C18H17N3O2S

>  <MolWeight> (1,412)
339.41148

>  <Cat> (1,412)
P3327

>  <Name> (1,412)
WAY-320509

>  <Synonyms> (1,412)
N/A

>  <Target> (1,412)
Anti-infection,CDK8

>  <Form> (1,412)
free base

>  <CAS> (1,412)
314035-54-6

>  <URL> (1,412)
N/A

$$$$
WAY-320049
csChFnd80/08142011062D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  6 10  2  0  0  0  0
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 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,413)
1414

>  <Formula> (1,413)
C13H17NO3S

>  <MolWeight> (1,413)
267.34398

>  <Cat> (1,413)
P3323

>  <Name> (1,413)
WAY-320049

>  <Synonyms> (1,413)
N/A

>  <Target> (1,413)
others

>  <Form> (1,413)
free base

>  <CAS> (1,413)
298193-11-0

>  <URL> (1,413)
N/A

$$$$
WAY-320080
csChFnd80/08142011062D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
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  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
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 18 20  1  0  0  0  0
  6  9  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,414)
1415

>  <Formula> (1,414)
C14H13N3O2S

>  <MolWeight> (1,414)
287.33692

>  <Cat> (1,414)
P3324

>  <Name> (1,414)
WAY-320080

>  <Synonyms> (1,414)
N/A

>  <Target> (1,414)
glucokinase,heat shock protein 90

>  <Form> (1,414)
free base

>  <CAS> (1,414)
349549-38-8

>  <URL> (1,414)
N/A

$$$$
WAY-320081
csChFnd80/08142011062D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
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 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> (1,415)
1416

>  <Formula> (1,415)
C14H13N3O2S

>  <MolWeight> (1,415)
287.33692

>  <Cat> (1,415)
P3325

>  <Name> (1,415)
WAY-320081

>  <Synonyms> (1,415)
N/A

>  <Target> (1,415)
glucokinase,heat shock protein 90

>  <Form> (1,415)
free base

>  <CAS> (1,415)
66780-67-4

>  <URL> (1,415)
N/A

$$$$
WAY-602219
csChFnd80/08142011062D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14 12  2  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
  6  8  2  0  0  0  0
 11  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,416)
1417

>  <Formula> (1,416)
C14H12N2O3S2

>  <MolWeight> (1,416)
320.38668

>  <Cat> (1,416)
P3430

>  <Name> (1,416)
WAY-602219

>  <Synonyms> (1,416)
N/A

>  <Target> (1,416)
Trypanosoma brucei hexokinase 

>  <Form> (1,416)
free base

>  <CAS> (1,416)
378197-09-2

>  <URL> (1,416)
N/A

$$$$
WAY-602746
csChFnd80/08142011062D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  6  2  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
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  6  1  1  0  0  0  0
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 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 19  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  2  0  0  0  0
  2  4  1  0  0  0  0
 10  8  1  0  0  0  0
 24 23  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,417)
1418

>  <Formula> (1,417)
C20H16N4O

>  <MolWeight> (1,417)
328.36724

>  <Cat> (1,417)
P3431

>  <Name> (1,417)
WAY-602746

>  <Synonyms> (1,417)
N/A

>  <Target> (1,417)
ROS 

>  <Form> (1,417)
free base

>  <CAS> (1,417)
370096-57-4

>  <URL> (1,417)
N/A

$$$$
WAY-603264
csChFnd80/08142011062D

 12 13  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 12  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
  5  6  2  0  0  0  0
 11  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,418)
1419

>  <Formula> (1,418)
C8H12N2OS

>  <MolWeight> (1,418)
184.25868

>  <Cat> (1,418)
P3432

>  <Name> (1,418)
WAY-603264

>  <Synonyms> (1,418)
N/A

>  <Target> (1,418)
adenosine kinase

>  <Form> (1,418)
free base

>  <CAS> (1,418)
58350-40-6

>  <URL> (1,418)
N/A

$$$$
WAY-603359
csChFnd80/08142011062D

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WAY-603359

>  <Synonyms> (1,419)
N/A

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p38

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free base

>  <CAS> (1,419)
329268-90-8

>  <URL> (1,419)
N/A

$$$$
WAY-634931
csChFnd80/08142011062D

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>  <Mol_ID> (1,420)
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C10H14O2

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WAY-634931

>  <Synonyms> (1,420)
N/A

>  <Target> (1,420)
GSK3,ROR gamma,CETP,metabotropic glutamate r

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free base

>  <CAS> (1,420)
82683-51-0

>  <URL> (1,420)
N/A

$$$$
WAY-634964
csChFnd80/08142011062D

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>  <Mol_ID> (1,421)
1422

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C9H7N3O2

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P3483

>  <Name> (1,421)
WAY-634964

>  <Synonyms> (1,421)
N/A

>  <Target> (1,421)
tyrosine kinase

>  <Form> (1,421)
free base

>  <CAS> (1,421)
157842-34-7

>  <URL> (1,421)
N/A

$$$$
WAY-634704
csChFnd80/08142011062D

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>  <Mol_ID> (1,422)
1423

>  <Formula> (1,422)
C13H13ClN2O5S

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344.77072

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P3481

>  <Name> (1,422)
WAY-634704

>  <Synonyms> (1,422)
N/A

>  <Target> (1,422)
Aurora kinase A

>  <Form> (1,422)
free base

>  <CAS> (1,422)
781619-26-9

>  <URL> (1,422)
N/A

$$$$
WAY-635109
csChFnd80/08142011062D

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>  <Mol_ID> (1,423)
1424

>  <Formula> (1,423)
C13H9N3O2S

>  <MolWeight> (1,423)
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>  <Cat> (1,423)
P3484

>  <Name> (1,423)
WAY-635109

>  <Synonyms> (1,423)
N/A

>  <Target> (1,423)
B-Raf

>  <Form> (1,423)
free base

>  <CAS> (1,423)
781622-25-1

>  <URL> (1,423)
N/A

$$$$
WAY-635114
csChFnd80/08142011062D

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>  <Formula> (1,424)
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>  <MolWeight> (1,424)
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>  <Cat> (1,424)
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WAY-635114

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N/A

>  <Target> (1,424)
B-Raf

>  <Form> (1,424)
free base

>  <CAS> (1,424)
781622-52-4

>  <URL> (1,424)
N/A

$$$$
WAY-635319
csChFnd80/08142011062D

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CDK

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free base

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763098-07-3

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N/A

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WAY-311677
csChFnd80/08142011062D

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N/A

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FAK

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free base

>  <CAS> (1,426)
19948-85-7

>  <URL> (1,426)
N/A

$$$$
CL-243214
csChFnd80/08142011062D

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N/A

>  <Target> (1,427)
others

>  <Form> (1,427)
free base

>  <CAS> (1,427)
333785-55-0

>  <URL> (1,427)
N/A

$$$$
WAY-312187
csChFnd80/08142011062D

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WAY-312187

>  <Synonyms> (1,428)
N/A

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Pim-1

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free base

>  <CAS> (1,428)
1609385-99-0

>  <URL> (1,428)
N/A

$$$$
WAY-230563
csChFnd80/08142011062D

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>  <Cat> (1,429)
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N/A

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serine/threonine kinase

>  <Form> (1,429)
free base

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93326-70-6

>  <URL> (1,429)
N/A

$$$$
WAY-235142
csChFnd80/08142011062D

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1431

>  <Formula> (1,430)
C17H18N2O

>  <MolWeight> (1,430)
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WAY-235142

>  <Synonyms> (1,430)
N/A

>  <Target> (1,430)
MtSk

>  <Form> (1,430)
free base

>  <CAS> (1,430)
380550-28-7

>  <URL> (1,430)
N/A

$$$$
WAY-311747
csChFnd80/08142011062D

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WAY-311747

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N/A

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MtSk

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free base

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381671-40-5

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N/A

$$$$
WAY-312484
csChFnd80/08142011062D

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WAY-312484

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N/A

>  <Target> (1,432)
EGFR

>  <Form> (1,432)
free base

>  <CAS> (1,432)
91769-08-3

>  <URL> (1,432)
N/A

$$$$
WAY-311753-A
csChFnd80/08142011062D

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>  <Mol_ID> (1,433)
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WAY-311753-A

>  <Synonyms> (1,433)
N/A

>  <Target> (1,433)
tyrosine kinase

>  <Form> (1,433)
free base

>  <CAS> (1,433)
345615-74-9

>  <URL> (1,433)
N/A

$$$$
WAY-310586-A
csChFnd80/08142011062D

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1435

>  <Formula> (1,434)
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>  <MolWeight> (1,434)
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>  <Cat> (1,434)
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>  <Name> (1,434)
WAY-310586-A

>  <Synonyms> (1,434)
N/A

>  <Target> (1,434)
TAOK2

>  <Form> (1,434)
free base

>  <CAS> (1,434)
315705-95-4

>  <URL> (1,434)
N/A

$$$$
WAY-115880
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,435)
1436

>  <Formula> (1,435)
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>  <Name> (1,435)
WAY-115880

>  <Synonyms> (1,435)
N/A

>  <Target> (1,435)
FLT3

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free base

>  <CAS> (1,435)
142995-02-6

>  <URL> (1,435)
N/A

$$$$
WAY-297848
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,436)
1437

>  <Formula> (1,436)
C13H13ClN2O2S

>  <MolWeight> (1,436)
296.77252

>  <Cat> (1,436)
P3755

>  <Name> (1,436)
WAY-297848

>  <Synonyms> (1,436)
N/A

>  <Target> (1,436)
glucokinase

>  <Form> (1,436)
free base

>  <CAS> (1,436)
404360-27-6

>  <URL> (1,436)
N/A

$$$$
GI-568769
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,437)
1438

>  <Formula> (1,437)
C13H11ClN4

>  <MolWeight> (1,437)
258.70624

>  <Cat> (1,437)
P3689

>  <Name> (1,437)
GI-568769

>  <Synonyms> (1,437)
N/A

>  <Target> (1,437)
p90 Ribosomal S6 Protein Kinase 2

>  <Form> (1,437)
free base

>  <CAS> (1,437)
62001-32-5

>  <URL> (1,437)
N/A

$$$$
WAY-298129
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,438)
1439

>  <Formula> (1,438)
C13H15NO2S

>  <MolWeight> (1,438)
249.3287

>  <Cat> (1,438)
P3688

>  <Name> (1,438)
WAY-298129

>  <Synonyms> (1,438)
N/A

>  <Target> (1,438)
CLK1,DYRK,CLK,CK1,RB,kinase,ENT1,CK1,DYRK1A,

>  <Form> (1,438)
free base

>  <CAS> (1,438)
719277-26-6

>  <URL> (1,438)
N/A

$$$$
WAY-299338
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,439)
1440

>  <Formula> (1,439)
C17H16N2O3S

>  <MolWeight> (1,439)
328.38554

>  <Cat> (1,439)
P3775

>  <Name> (1,439)
WAY-299338

>  <Synonyms> (1,439)
N/A

>  <Target> (1,439)
PDK1

>  <Form> (1,439)
free base

>  <CAS> (1,439)
1005044-23-4

>  <URL> (1,439)
N/A

$$$$
WAY-322454
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,440)
1441

>  <Formula> (1,440)
C17H20N4O2

>  <MolWeight> (1,440)
312.3663

>  <Cat> (1,440)
P3753

>  <Name> (1,440)
WAY-322454

>  <Synonyms> (1,440)
N/A

>  <Target> (1,440)
GRK6

>  <Form> (1,440)
free base

>  <CAS> (1,440)
1008244-02-7

>  <URL> (1,440)
N/A

$$$$
WAY-119064
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,441)
1442

>  <Formula> (1,441)
C13H18N2O3S

>  <MolWeight> (1,441)
282.35862

>  <Cat> (1,441)
P3728

>  <Name> (1,441)
WAY-119064

>  <Synonyms> (1,441)
N/A

>  <Target> (1,441)
INK4C

>  <Form> (1,441)
free base

>  <CAS> (1,441)
1198098-03-1

>  <URL> (1,441)
N/A

$$$$
WAY-215718
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,442)
1443

>  <Formula> (1,442)
C14H19N3

>  <MolWeight> (1,442)
229.32076

>  <Cat> (1,442)
P3684

>  <Name> (1,442)
WAY-215718

>  <Synonyms> (1,442)
N/A

>  <Target> (1,442)
5-HT Receptor,pp6othersc-Src tyrosine kinase

>  <Form> (1,442)
free base

>  <CAS> (1,442)
128175-06-4

>  <URL> (1,442)
N/A

$$$$
WAY-300046
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,443)
1444

>  <Formula> (1,443)
C12H13N3O2

>  <MolWeight> (1,443)
231.25052

>  <Cat> (1,443)
P3682

>  <Name> (1,443)
WAY-300046

>  <Synonyms> (1,443)
N/A

>  <Target> (1,443)
LtaS,herpes simplex viruses thymidine kinase

>  <Form> (1,443)
free base

>  <CAS> (1,443)
41648-10-6

>  <URL> (1,443)
N/A

$$$$
WAY-300063
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,444)
1445

>  <Formula> (1,444)
C16H13N3O3

>  <MolWeight> (1,444)
295.29272

>  <Cat> (1,444)
P3727

>  <Name> (1,444)
WAY-300063

>  <Synonyms> (1,444)
N/A

>  <Target> (1,444)
Tropomyosin-Related Kinase A,ATP-binding cas

>  <Form> (1,444)
free base

>  <CAS> (1,444)
296888-45-4

>  <URL> (1,444)
N/A

$$$$
WAY-299819
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,445)
1446

>  <Formula> (1,445)
C12H10ClNOS

>  <MolWeight> (1,445)
251.7319

>  <Cat> (1,445)
P3687

>  <Name> (1,445)
WAY-299819

>  <Synonyms> (1,445)
N/A

>  <Target> (1,445)
p38 MAPK,c-Jun-N-Terminal Kinase

>  <Form> (1,445)
free base

>  <CAS> (1,445)
346663-56-7

>  <URL> (1,445)
N/A

$$$$
WAY-300700
csChFnd80/08142011062D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,446)
1447

>  <Formula> (1,446)
C19H22N2O2

>  <MolWeight> (1,446)
310.39018

>  <Cat> (1,446)
P3751

>  <Name> (1,446)
WAY-300700

>  <Synonyms> (1,446)
N/A

>  <Target> (1,446)
HIV-1

>  <Form> (1,446)
free base

>  <CAS> (1,446)
428853-17-2

>  <URL> (1,446)
N/A

$$$$
WAY-300744
csChFnd80/08142011062D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,447)
1448

>  <Formula> (1,447)
C14H12Cl2N2O2S

>  <MolWeight> (1,447)
343.22828

>  <Cat> (1,447)
P3773

>  <Name> (1,447)
WAY-300744

>  <Synonyms> (1,447)
N/A

>  <Target> (1,447)
kinase

>  <Form> (1,447)
free base

>  <CAS> (1,447)
314284-06-5

>  <URL> (1,447)
N/A

$$$$
WAY-301205
csChFnd80/08142011062D

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  5  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,448)
1449

>  <Formula> (1,448)
C16H20N2O2S2

>  <MolWeight> (1,448)
336.4722

>  <Cat> (1,448)
P3772

>  <Name> (1,448)
WAY-301205

>  <Synonyms> (1,448)
N/A

>  <Target> (1,448)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,448)
free base

>  <CAS> (1,448)
330181-93-6

>  <URL> (1,448)
N/A

$$$$
WAY-301300
csChFnd80/08142011062D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,449)
1450

>  <Formula> (1,449)
C16H17NO4

>  <MolWeight> (1,449)
287.31048

>  <Cat> (1,449)
P3726

>  <Name> (1,449)
WAY-301300

>  <Synonyms> (1,449)
N/A

>  <Target> (1,449)
Rho kinase,bacterial DNA adenine methyltrans

>  <Form> (1,449)
free base

>  <CAS> (1,449)
935279-95-1

>  <URL> (1,449)
N/A

$$$$
WAY-301398
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,450)
1451

>  <Formula> (1,450)
C16H13FO4

>  <MolWeight> (1,450)
288.2704232

>  <Cat> (1,450)
P3750

>  <Name> (1,450)
WAY-301398

>  <Synonyms> (1,450)
N/A

>  <Target> (1,450)
arylamine Nacetyltransferase,Protein Kinase 

>  <Form> (1,450)
free base

>  <CAS> (1,450)
312607-68-4

>  <URL> (1,450)
N/A

$$$$
WAY-301464
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,451)
1452

>  <Formula> (1,451)
C18H13N3O

>  <MolWeight> (1,451)
287.31532

>  <Cat> (1,451)
P3749

>  <Name> (1,451)
WAY-301464

>  <Synonyms> (1,451)
N/A

>  <Target> (1,451)
Pim-1

>  <Form> (1,451)
free base

>  <CAS> (1,451)
79492-49-2

>  <URL> (1,451)
N/A

$$$$
WAY-301503
csChFnd80/08142011062D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,452)
1453

>  <Formula> (1,452)
C14H9N3O4S

>  <MolWeight> (1,452)
315.30396

>  <Cat> (1,452)
P3748

>  <Name> (1,452)
WAY-301503

>  <Synonyms> (1,452)
N/A

>  <Target> (1,452)
CDK2

>  <Form> (1,452)
free base

>  <CAS> (1,452)
313530-30-2

>  <URL> (1,452)
N/A

$$$$
WAY-118985
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,453)
1454

>  <Formula> (1,453)
C13H12N4S2

>  <MolWeight> (1,453)
288.39118

>  <Cat> (1,453)
P3723

>  <Name> (1,453)
WAY-118985

>  <Synonyms> (1,453)
N/A

>  <Target> (1,453)
TAOK2

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N/A

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Casein kinase 1¦Ä

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free base

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345616-08-2

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N/A

$$$$
WAY-305025
csChFnd80/08142011062D

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WAY-305025

>  <Synonyms> (1,460)
N/A

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Mnk

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free base

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457911-10-3

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N/A

$$$$
WAY-383487
csChFnd80/08142011062D

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WAY-383487

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N/A

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CDK

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free base

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748146-89-6

>  <URL> (1,461)
N/A

$$$$
WAY-232261
csChFnd80/08142011062D

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WAY-232261

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N/A

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 PI3K

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free base

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332023-13-9

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N/A

$$$$
WAY-340245
csChFnd80/08142011062D

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>  <Formula> (1,463)
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WAY-340245

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N/A

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ERK

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free base

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350509-85-2

>  <URL> (1,463)
N/A

$$$$
WAY-340935
csChFnd80/08142011062D

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>  <Formula> (1,464)
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WAY-340935

>  <Synonyms> (1,464)
N/A

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VEGFR2 kinase

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free base

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737818-56-3

>  <URL> (1,464)
N/A

$$$$
WAY-341085
csChFnd80/08142011062D

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1466

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WAY-341085

>  <Synonyms> (1,465)
N/A

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Kinase

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free base

>  <CAS> (1,465)
383380-01-6

>  <URL> (1,465)
N/A

$$$$
WAY-346658
csChFnd80/08142011062D

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1467

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C13H11ClN2O2S

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294.75664

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P3715

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WAY-346658

>  <Synonyms> (1,466)
N/A

>  <Target> (1,466)
c-Jun N-terminal kinase

>  <Form> (1,466)
free base

>  <CAS> (1,466)
381714-44-9

>  <URL> (1,466)
N/A

$$$$
WAY-350471
csChFnd80/08142011062D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
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1468

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290.38392

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WAY-350471

>  <Synonyms> (1,467)
N/A

>  <Target> (1,467)
IRAK

>  <Form> (1,467)
free base

>  <CAS> (1,467)
785705-53-5

>  <URL> (1,467)
N/A

$$$$
WAY-352563
csChFnd80/08142011062D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
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1469

>  <Formula> (1,468)
C18H14O4

>  <MolWeight> (1,468)
294.30136

>  <Cat> (1,468)
P3743

>  <Name> (1,468)
WAY-352563

>  <Synonyms> (1,468)
N/A

>  <Target> (1,468)
CDK

>  <Form> (1,468)
free base

>  <CAS> (1,468)
505051-04-7

>  <URL> (1,468)
N/A

$$$$
GI-505946
csChFnd80/08142011062D

 18 19  0  0  0  0  0  0  0  0999 V2000
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1470

>  <Formula> (1,469)
C12H9Cl2N3O

>  <MolWeight> (1,469)
282.12536

>  <Cat> (1,469)
P3713

>  <Name> (1,469)
GI-505946

>  <Synonyms> (1,469)
N/A

>  <Target> (1,469)
p38

>  <Form> (1,469)
free base

>  <CAS> (1,469)
13142-47-7

>  <URL> (1,469)
N/A

$$$$
WAY-354896
csChFnd80/08142011062D

 23 26  0  0  0  0  0  0  0  0999 V2000
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WAY-354896

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N/A

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PKR,PERK

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136498-37-8

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N/A

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WAY-380496
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DAPK

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304000-05-3

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N/A

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WAY-381332
csChFnd80/08142011062D

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380163-63-3

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N/A

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WAY-332656
csChFnd80/08142011062D

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Protein kinase C epsilon signaling

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free base

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904458-98-6

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N/A

$$$$
WAY-333175
csChFnd80/08142011062D

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GSK-3b

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free base

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75620-25-6

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N/A

$$$$
WAY-333184
csChFnd80/08142011062D

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863004-48-2

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N/A

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WAY-643018
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M  END
>  <Mol_ID> (1,476)
1477

>  <Formula> (1,476)
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>  <MolWeight> (1,476)
304.34584

>  <Cat> (1,476)
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>  <Name> (1,476)
WAY-643018

>  <Synonyms> (1,476)
N/A

>  <Target> (1,476)
CDK

>  <Form> (1,476)
free base

>  <CAS> (1,476)
677701-62-1

>  <URL> (1,476)
N/A

$$$$
WAY-332616
csChFnd80/08142011062D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,477)
1478

>  <Formula> (1,477)
C16H15NO3S

>  <MolWeight> (1,477)
301.3602

>  <Cat> (1,477)
P3708

>  <Name> (1,477)
WAY-332616

>  <Synonyms> (1,477)
N/A

>  <Target> (1,477)
pyruvate kinase

>  <Form> (1,477)
free base

>  <CAS> (1,477)
904457-46-1

>  <URL> (1,477)
N/A

$$$$
WAY-332647
csChFnd80/08142011062D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  2  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 11  1  0  0  0  0
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 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
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 10  7  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,478)
1479

>  <Formula> (1,478)
C19H21NO3S

>  <MolWeight> (1,478)
343.43994

>  <Cat> (1,478)
P3767

>  <Name> (1,478)
WAY-332647

>  <Synonyms> (1,478)
N/A

>  <Target> (1,478)
pyruvate kinase

>  <Form> (1,478)
free base

>  <CAS> (1,478)
902516-53-4

>  <URL> (1,478)
N/A

$$$$
WAY-624704
csChFnd80/08142011062D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10 20  2  0  0  0  0
 11  7  1  0  0  0  0
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 21  8  1  0  0  0  0
 22  8  2  0  0  0  0
 23 18  1  0  0  0  0
  6  3  2  0  0  0  0
 10 19  1  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,479)
1480

>  <Formula> (1,479)
C17H15N3O2S

>  <MolWeight> (1,479)
325.3849

>  <Cat> (1,479)
P3766

>  <Name> (1,479)
WAY-624704

>  <Synonyms> (1,479)
N/A

>  <Target> (1,479)
ROCK

>  <Form> (1,479)
free base

>  <CAS> (1,479)
692869-38-8

>  <URL> (1,479)
N/A

$$$$
WAY-625135
csChFnd80/08142011062D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
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 20 19  1  0  0  0  0
 15 14  2  0  0  0  0
  4  6  1  0  0  0  0
 17 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,480)
1481

>  <Formula> (1,480)
C14H12N2O3S

>  <MolWeight> (1,480)
288.32168

>  <Cat> (1,480)
P3707

>  <Name> (1,480)
WAY-625135

>  <Synonyms> (1,480)
N/A

>  <Target> (1,480)
Casein kinase 1¦Ä

>  <Form> (1,480)
free base

>  <CAS> (1,480)
756865-45-9

>  <URL> (1,480)
N/A

$$$$
WAY-626309
csChFnd80/08142011062D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  9 15  1  0  0  0  0
 10  4  2  0  0  0  0
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 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14 18  1  0  0  0  0
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 16  4  1  0  0  0  0
 17 12  1  0  0  0  0
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 24 22  2  0  0  0  0
  8  7  2  0  0  0  0
  9 14  2  0  0  0  0
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M  END
>  <Mol_ID> (1,481)
1482

>  <Formula> (1,481)
C19H16N2O2S

>  <MolWeight> (1,481)
336.40754

>  <Cat> (1,481)
P3765

>  <Name> (1,481)
WAY-626309

>  <Synonyms> (1,481)
N/A

>  <Target> (1,481)
c-Jun N-terminal kinase

>  <Form> (1,481)
free base

>  <CAS> (1,481)
756849-36-2

>  <URL> (1,481)
N/A

$$$$
WAY-646458
csChFnd80/08142011062D

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  3  1  2  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  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  1  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  2  0  0  0  0
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 13 11  1  0  0  0  0
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 15 17  2  0  0  0  0
 16  5  1  0  0  0  0
 17  8  1  0  0  0  0
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 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
  5  2  1  0  0  0  0
 12 13  2  0  0  0  0
 20 16  2  0  0  0  0
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M  END
>  <Mol_ID> (1,482)
1483

>  <Formula> (1,482)
C16H10N2O2

>  <MolWeight> (1,482)
262.2628

>  <Cat> (1,482)
P3706

>  <Name> (1,482)
WAY-646458

>  <Synonyms> (1,482)
N/A

>  <Target> (1,482)
Casein kinase 1d

>  <Form> (1,482)
free base

>  <CAS> (1,482)
852413-92-4

>  <URL> (1,482)
N/A

$$$$
WAY-313318
csChFnd80/08142011062D

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  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,483)
1484

>  <Formula> (1,483)
C13H10Cl2N4

>  <MolWeight> (1,483)
293.1513

>  <Cat> (1,483)
P3734

>  <Name> (1,483)
WAY-313318

>  <Synonyms> (1,483)
N/A

>  <Target> (1,483)
RSK2

>  <Form> (1,483)
free base

>  <CAS> (1,483)
351993-88-9

>  <URL> (1,483)
N/A

$$$$
WAY-239448
csChFnd80/08142011062D

 15 17  0  0  0  0  0  0  0  0999 V2000
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  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
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 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  2  0  0  0  0
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  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (1,484)
1485

>  <Formula> (1,484)
C11H12N2S2

>  <MolWeight> (1,484)
236.35638

>  <Cat> (1,484)
P3683

>  <Name> (1,484)
WAY-239448

>  <Synonyms> (1,484)
N/A

>  <Target> (1,484)
CK2,Anti-infection

>  <Form> (1,484)
free base

>  <CAS> (1,484)
314260-78-1

>  <URL> (1,484)
N/A

$$$$
WAY-299562
csChFnd80/08142011062D

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  1  4  1  0  0  0  0
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  6 10  1  0  0  0  0
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  8 12  2  0  0  0  0
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  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
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 19 20  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,485)
1486

>  <Formula> (1,485)
C16H13NO3

>  <MolWeight> (1,485)
267.27932

>  <Cat> (1,485)
P3698

>  <Name> (1,485)
WAY-299562

>  <Synonyms> (1,485)
N/A

>  <Target> (1,485)
PKA,AKAP

>  <Form> (1,485)
free base

>  <CAS> (1,485)
299934-88-6

>  <URL> (1,485)
N/A

$$$$
WAY-300507
csChFnd80/08142011062D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
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  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
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 10  4  2  0  0  0  0
 11 18  1  0  0  0  0
 12 11  2  0  0  0  0
 13  1  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
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 20  9  1  0  0  0  0
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 22 14  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
  3  5  1  0  0  0  0
 14 21  1  0  0  0  0
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M  END
>  <Mol_ID> (1,486)
1487

>  <Formula> (1,486)
C18H15NO3S2

>  <MolWeight> (1,486)
357.4466

>  <Cat> (1,486)
P3774

>  <Name> (1,486)
WAY-300507

>  <Synonyms> (1,486)
N/A

>  <Target> (1,486)
beta-catenin,MKK4

>  <Form> (1,486)
free base

>  <CAS> (1,486)
301688-74-4

>  <URL> (1,486)
N/A

$$$$
WAY-301524-A
csChFnd80/08142011062D

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free base

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315682-22-5

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N/A

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WAY-388756
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free base

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243669-62-7

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N/A

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WAY-310410
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N/A

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WAY-297152
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WAY-297674
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CK2

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free base

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313985-59-0

>  <URL> (1,493)
N/A

$$$$
WAY-298630
csChFnd80/08142011062D

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M  END
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1495

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C17H15FN2O3S

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346.3760032

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WAY-298630

>  <Synonyms> (1,494)
N/A

>  <Target> (1,494)
PDK1

>  <Form> (1,494)
free base

>  <CAS> (1,494)
303134-93-2

>  <URL> (1,494)
N/A

$$$$
WAY-299017
csChFnd80/08142011062D

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M  END
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294.30466

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WAY-299017

>  <Synonyms> (1,495)
N/A

>  <Target> (1,495)
PI3Ka

>  <Form> (1,495)
free base

>  <CAS> (1,495)
300803-79-6

>  <URL> (1,495)
N/A

$$$$
WAY-299359
csChFnd80/08142011062D

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1497

>  <Formula> (1,496)
C14H18N2O3S

>  <MolWeight> (1,496)
294.36932

>  <Cat> (1,496)
P3729

>  <Name> (1,496)
WAY-299359

>  <Synonyms> (1,496)
N/A

>  <Target> (1,496)
FLT3, Tubulin

>  <Form> (1,496)
free base

>  <CAS> (1,496)
1005057-81-7

>  <URL> (1,496)
N/A

$$$$
WAY-117443
csChFnd80/08142011062D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,497)
1498

>  <Formula> (1,497)
C19H18O5

>  <MolWeight> (1,497)
326.34322

>  <Cat> (1,497)
P3752

>  <Name> (1,497)
WAY-117443

>  <Synonyms> (1,497)
N/A

>  <Target> (1,497)
GRK6,DOPA decarboxylase

>  <Form> (1,497)
free base

>  <CAS> (1,497)
1164562-43-9

>  <URL> (1,497)
N/A

$$$$
WAY-304191
csChFnd80/08142011062D

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M  END
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WAY-304191

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N/A

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FLT3 receptor

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free base

>  <CAS> (1,498)
510724-22-8

>  <URL> (1,498)
N/A

$$$$
WAY-226683
csChFnd80/08142011062D

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>  <Mol_ID> (1,499)
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WAY-226683

>  <Synonyms> (1,499)
N/A

>  <Target> (1,499)
Rho

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free base

>  <CAS> (1,499)
309736-94-5

>  <URL> (1,499)
N/A

$$$$
WAY-306955
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,500)
1501

>  <Formula> (1,500)
C17H14N4S

>  <MolWeight> (1,500)
306.38486

>  <Cat> (1,500)
P3770

>  <Name> (1,500)
WAY-306955

>  <Synonyms> (1,500)
N/A

>  <Target> (1,500)
p38a MAPK

>  <Form> (1,500)
free base

>  <CAS> (1,500)
315703-48-1

>  <URL> (1,500)
N/A

$$$$
WAY-352121
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,501)
1502

>  <Formula> (1,501)
C20H17N5OS

>  <MolWeight> (1,501)
375.44688

>  <Cat> (1,501)
P3768

>  <Name> (1,501)
WAY-352121

>  <Synonyms> (1,501)
N/A

>  <Target> (1,501)
FLT3, Tubulin

>  <Form> (1,501)
free base

>  <CAS> (1,501)
484677-02-3

>  <URL> (1,501)
N/A

$$$$
WAY-380153
csChFnd80/08142011062D

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>  <Mol_ID> (1,502)
1503

>  <Formula> (1,502)
C12H14ClNO2S

>  <MolWeight> (1,502)
271.76306

>  <Cat> (1,502)
P3696

>  <Name> (1,502)
WAY-380153

>  <Synonyms> (1,502)
N/A

>  <Target> (1,502)
FKBP12 

>  <Form> (1,502)
free base

>  <CAS> (1,502)
363160-12-7

>  <URL> (1,502)
N/A

$$$$
WAY-311474
csChFnd80/08142011062D

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>  <Mol_ID> (1,503)
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>  <Formula> (1,503)
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>  <MolWeight> (1,503)
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>  <Cat> (1,503)
P3711

>  <Name> (1,503)
WAY-311474

>  <Synonyms> (1,503)
N/A

>  <Target> (1,503)
MtSk

>  <Form> (1,503)
free base

>  <CAS> (1,503)
569313-77-5

>  <URL> (1,503)
N/A

$$$$
WAY-312858
csChFnd80/08142011062D

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WAY-278705
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476280-90-7

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N/A

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WAY-663387
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WAY-644841
csChFnd80/08142011062D

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WAY-273339
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WAY-277364
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WAY-337530
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N/A

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CLK-1

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free base

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332939-29-4

>  <URL> (1,510)
N/A

$$$$
WAY-337532
csChFnd80/08142011062D

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1512

>  <Formula> (1,511)
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>  <MolWeight> (1,511)
356.80288

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P3762

>  <Name> (1,511)
WAY-337532

>  <Synonyms> (1,511)
N/A

>  <Target> (1,511)
CLK-1

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free base

>  <CAS> (1,511)
332939-49-8

>  <URL> (1,511)
N/A

$$$$
WAY-628644
csChFnd80/08142011062D

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>  <Mol_ID> (1,512)
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>  <Synonyms> (1,512)
N/A

>  <Target> (1,512)
p38

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free base

>  <CAS> (1,512)
377760-40-2

>  <URL> (1,512)
N/A

$$$$
WAY-270250
csChFnd80/08142011062D

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1514

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>  <Synonyms> (1,513)
N/A

>  <Target> (1,513)
IGF-1R,SRC

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free base

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852367-46-5

>  <URL> (1,513)
N/A

$$$$
WAY-270252
csChFnd80/08142011062D

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>  <Formula> (1,514)
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WAY-270252

>  <Synonyms> (1,514)
N/A

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IGF-1R,SRC

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free base

>  <CAS> (1,514)
61-38-1

>  <URL> (1,514)
N/A

$$$$
WAY-271127
csChFnd80/08142011062D

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WAY-271127

>  <Synonyms> (1,515)
N/A

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MtSk

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free base

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500149-26-8

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N/A

$$$$
WAY-615145
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,516)
1517

>  <Formula> (1,516)
C16H18N2OS

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286.39192

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P3761

>  <Name> (1,516)
WAY-615145

>  <Synonyms> (1,516)
N/A

>  <Target> (1,516)
glucokinase

>  <Form> (1,516)
free base

>  <CAS> (1,516)
536736-95-5

>  <URL> (1,516)
N/A

$$$$
WAY-613982
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,517)
1518

>  <Formula> (1,517)
C11H12N2OS2

>  <MolWeight> (1,517)
252.35578

>  <Cat> (1,517)
P3686

>  <Name> (1,517)
WAY-613982

>  <Synonyms> (1,517)
N/A

>  <Target> (1,517)
CK2

>  <Form> (1,517)
free base

>  <CAS> (1,517)
330449-39-3

>  <URL> (1,517)
N/A

$$$$
WAY-650334
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,518)
1519

>  <Formula> (1,518)
C12H12N2O3

>  <MolWeight> (1,518)
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>  <Cat> (1,518)
P3681

>  <Name> (1,518)
WAY-650334

>  <Synonyms> (1,518)
N/A

>  <Target> (1,518)
MAP2K4

>  <Form> (1,518)
free base

>  <CAS> (1,518)
847773-02-8

>  <URL> (1,518)
N/A

$$$$
GI-570482
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,519)
1520

>  <Formula> (1,519)
C13H14N2O3S

>  <MolWeight> (1,519)
278.32686

>  <Cat> (1,519)
P3703

>  <Name> (1,519)
GI-570482

>  <Synonyms> (1,519)
N/A

>  <Target> (1,519)
ExoS ADPRT,MET,USP14

>  <Form> (1,519)
free base

>  <CAS> (1,519)
109164-47-8

>  <URL> (1,519)
N/A

$$$$
WAY-272160
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,520)
1521

>  <Formula> (1,520)
C18H13ClN2O3

>  <MolWeight> (1,520)
340.76042

>  <Cat> (1,520)
P3737

>  <Name> (1,520)
WAY-272160

>  <Synonyms> (1,520)
N/A

>  <Target> (1,520)
 topoisomerase II,HER2

>  <Form> (1,520)
free base

>  <CAS> (1,520)
489413-54-9

>  <URL> (1,520)
N/A

$$$$
WAY-320461
csChFnd80/08142011062D

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M  END
>  <Mol_ID> (1,521)
1522

>  <Formula> (1,521)
C15H10BrN3O2S

>  <MolWeight> (1,521)
376.2278

>  <Cat> (1,521)
P3760

>  <Name> (1,521)
WAY-320461

>  <Synonyms> (1,521)
N/A

>  <Target> (1,521)
FAK

>  <Form> (1,521)
free base

>  <CAS> (1,521)
491839-65-7

>  <URL> (1,521)
N/A

$$$$
WAY-603392
csChFnd80/08142011062D

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 11  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,522)
1523

>  <Formula> (1,522)
C11H16N2O3S

>  <MolWeight> (1,522)
256.32134

>  <Cat> (1,522)
P3685

>  <Name> (1,522)
WAY-603392

>  <Synonyms> (1,522)
N/A

>  <Target> (1,522)
AKT(PKB) phosphorylation,ion channel

>  <Form> (1,522)
free base

>  <CAS> (1,522)
329906-01-6

>  <URL> (1,522)
N/A

$$$$
WAY-321341
csChFnd80/08142011062D

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  2  1  2  0  0  0  0
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  4  3  2  0  0  0  0
  5  1  1  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
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 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 11  1  0  0  0  0
 21 14  2  0  0  0  0
 22 15  2  0  0  0  0
 23 16  1  0  0  0  0
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 25 20  2  0  0  0  0
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 10  8  2  0  0  0  0
 27 26  1  0  0  0  0
  9 11  2  0  0  0  0
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M  END
>  <Mol_ID> (1,523)
1524

>  <Formula> (1,523)
C24H22N4O

>  <MolWeight> (1,523)
382.45768

>  <Cat> (1,523)
P3759

>  <Name> (1,523)
WAY-321341

>  <Synonyms> (1,523)
N/A

>  <Target> (1,523)
SYK,Immunology & Inflammation related

>  <Form> (1,523)
free base

>  <CAS> (1,523)
314027-66-2

>  <URL> (1,523)
N/A

$$$$
WAY-322243
csChFnd80/08142011062D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  4  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
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 16  9  2  0  0  0  0
 17  2  1  0  0  0  0
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 23 21  1  0  0  0  0
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M  END
>  <Mol_ID> (1,524)
1525

>  <Formula> (1,524)
C18H18N2O2S

>  <MolWeight> (1,524)
326.41272

>  <Cat> (1,524)
P3736

>  <Name> (1,524)
WAY-322243

>  <Synonyms> (1,524)
N/A

>  <Target> (1,524)
CLK-1

>  <Form> (1,524)
free base

>  <CAS> (1,524)
332939-32-9

>  <URL> (1,524)
N/A

$$$$
WAY-322475
csChFnd80/08142011062D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
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 10 15  3  0  0  0  0
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 16 19  1  0  0  0  0
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  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
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M  END
>  <Mol_ID> (1,525)
1526

>  <Formula> (1,525)
C15H15N5

>  <MolWeight> (1,525)
265.3131

>  <Cat> (1,525)
P3691

>  <Name> (1,525)
WAY-322475

>  <Synonyms> (1,525)
N/A

>  <Target> (1,525)
GRK6,SUMOylation

>  <Form> (1,525)
free base

>  <CAS> (1,525)
300731-73-1

>  <URL> (1,525)
N/A

$$$$
