untitled.cdx
csChFnd80/10202016042D

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1

>  <Formula> (1)
C21H18FN5O

>  <MolWeight> (1)
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S1003

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

>  <Synonyms> (1)
AL-39324

>  <Target> (1)
PDGFR, VEGFR

>  <Form> (1)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
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M  END
>  <Mol_ID> (11)
11

>  <Formula> (11)
C53H84NO14P

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

$$$$

csChFnd80/10202016042D

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>  <Mol_ID> (12)
12

>  <Formula> (12)
C21H21FN6O

>  <MolWeight> (12)
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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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

$$$$

csChFnd80/10202016042D

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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

$$$$

csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
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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
csChFnd80/10202016042D

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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

$$$$

csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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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>  <Form> (39)
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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

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>  <Cat> (43)
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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

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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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>  <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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http://www.selleckchem.com/products/BI-2536.html

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N/A 

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c-Met, VEGFR

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Free Base

>  <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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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>  <Mol_ID> (55)
55

>  <Formula> (55)
C19H23N7O2

>  <MolWeight> (55)
381.43162

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S1134

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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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60

>  <Formula> (60)
C17H14ClF2N3O3S

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S1152

>  <Name> (60)
PLX-4720

>  <Synonyms> (60)
N/A

>  <Target> (60)
Raf 

>  <Form> (60)
Free Base

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

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

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>  <Mol_ID> (61)
61

>  <Formula> (61)
C19H26N6O

>  <MolWeight> (61)
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>  <Cat> (61)
S1153

>  <Name> (61)
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)
C27H27N5O3

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

>  <Synonyms> (62)
N/A

>  <Target> (62)
EGFR, HER2

>  <Form> (62)
Free Base

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

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

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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

>  <Target> (69)
EGFR

>  <Form> (69)
Free Base

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

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

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70

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ENMD-2076

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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mTOR 

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Free Base

>  <CAS> (75)
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

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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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677297-51-7

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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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86

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C24H18F3N3O4

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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)
S2924

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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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   14.5156    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 25 26  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
csChFnd80/10202016042D

 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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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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C18H18N2O3

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Orantinib (TSU-68, SU6668)

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NSC 702827

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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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ROCK 

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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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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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1349796-36-6

>  <URL> (104)
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844442-38-2

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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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>  <Target> (107)
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>  <Form> (107)
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>  <URL> (107)
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1094614-84-2

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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)
416.85814

>  <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

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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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1025720-94-8

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

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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

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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 

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Hydrochloride

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

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

$$$$
Fasudil HCl.cdx
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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
csChFnd80/10202016042D

 39 43  0  0  0  0  0  0  0  0999 V2000
    8.3036    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7285    3.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9367    8.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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
csChFnd80/10202016042D

 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
    7.2704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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    3.6331    0.0000    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
    8.4786    2.7976    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

$$$$

csChFnd80/10202016042D

 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
csChFnd80/10202016042D

 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
csChFnd80/10202016042D

 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
csChFnd80/10202016042D

 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
csChFnd80/10202016042D

 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
csChFnd80/10202016042D

 63 68  0  0  0  0  0  0  0  0999 V2000
   12.5069    5.8382    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.1925   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    9.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    9.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363    8.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9151    7.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150    8.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   13.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   16.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   17.8076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363   12.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150   12.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2938   11.1190    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3939   10.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6725   10.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5724   11.9483    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0935   13.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9934   14.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5146   15.6518    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.3721   14.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9511   11.7052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   -2.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   -2.0719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.8150   -2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    2.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0421    4.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 50 51  2  0  0  0  0
 51 46  1  0  0  0  0
 49 52  1  0  0  0  0
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 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 60 62  2  0  0  0  0
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M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C50H46CaF2N2O8

>  <MolWeight> (129)
880.9836464

>  <Cat> (129)
S1759

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

>  <Synonyms> (129)
Livalo

>  <Target> (129)
HMG-CoA Reductase

>  <Form> (129)
Calcium salt

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

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

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/10202016042D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1875    7.5199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.6476    7.9073    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  5  1  0  0  0  0
  3 10  1  0  0  0  0
 11  9  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
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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
csChFnd80/10202016042D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6247    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2578    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (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
csChFnd80/10202016042D

 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
    4.7533    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4211    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3907    2.1709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  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
 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
  3  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
  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
csChFnd80/10202016042D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (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
csChFnd80/10202016042D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (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
csChFnd80/10202016042D

 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
csChFnd80/10202016042D

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  1  2  2  0  0  0  0
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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
csChFnd80/10202016042D

 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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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C25H21N7O3

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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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csChFnd80/10202016042D

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147

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C14H13BrN2O

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N/A 

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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
csChFnd80/10202016042D

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148

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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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ARQ-197.cdx
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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 

>  <Target> (149)
c-Met

>  <Form> (149)
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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PDK-1, IKK

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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

$$$$

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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
csChFnd80/10202016042D

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694433-59-5

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

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csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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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Free Base

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425637-18-9

>  <URL> (165)
http://www.selleckchem.com/products/sotrastaurin-aeb071.html

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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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csChFnd80/10202016042D

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172

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Alpelisib (BYL719)

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N/A 

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PI3K

>  <Form> (172)
Free Base

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

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

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csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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175

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C15H10O7

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Quercetin (Sophoretin)

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PI3K, PKC, Src, Sirtuin

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Free Base

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

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Flt, Bcr-Abl, Aurora Kinase

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>  <CAS> (179)
1000669-72-6

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

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RAF265 (CHIR-265)

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N/A 

>  <Target> (180)
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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181

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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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>  <Cat> (182)
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

>  <Formula> (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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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
csChFnd80/10202016042D

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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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>  <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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>  <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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>  <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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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 14 23  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (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
csChFnd80/10202016042D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    0.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    3.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1728    3.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3450    3.8280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2081    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5956    1.4204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9872    4.3444    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  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2 10  2  0  0  0  0
  6 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  5  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  5 25  1  6  0  0  0
M  END
>  <Mol_ID> (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
csChFnd80/10202016042D

 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
    3.6289    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    1.3976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.4976    0.0000 C   0  0  1  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
    4.8413    1.4000    0.0000 O   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
    2.4207    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  9 12  2  0  0  0  0
  2 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  1  0  0  0
 18 21  1  1  0  0  0
 20 22  1  0  0  0  0
 17 23  1  6  0  0  0
 19 24  1  6  0  0  0
M  END
>  <Mol_ID> (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
csChFnd80/10202016042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (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
csChFnd80/10202016042D

 38 42  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.5249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    3.1249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.1249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    4.5249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.5249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    5.2249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    5.2249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    7.3249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.1207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.9249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.5297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  1 23  1  6  0  0  0
  4 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 21 27  1  6  0  0  0
  3 28  1  6  0  0  0
  2 29  1  1  0  0  0
  3 30  1  1  0  0  0
  5 31  1  1  0  0  0
  9 32  1  1  0  0  0
 18 33  1  1  0  0  0
 22 34  1  1  0  0  0
 17 35  1  1  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 28 38  1  0  0  0  0
M  END
>  <Mol_ID> (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

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/10202016042D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357    7.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1662    8.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7739    8.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6214    0.0802    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (201)
201

>  <Formula> (201)
C20H18ClNO4

>  <MolWeight> (201)
371.81422

>  <Cat> (201)
S2271

>  <Name> (201)
Berberine chloride

>  <Synonyms> (201)
N/A

>  <Target> (201)
Antifection

>  <Form> (201)
chloride

>  <CAS> (201)
633-65-8

>  <URL> (201)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

$$$$
Emodin.cdx
csChFnd80/10202016042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  5  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
  6 17  2  0  0  0  0
  3 18  2  0  0  0  0
 14 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (202)
202

>  <Formula> (202)
C15H10O5

>  <MolWeight> (202)
270.2369

>  <Cat> (202)
S2295

>  <Name> (202)
Emodin

>  <Synonyms> (202)
N/A

>  <Target> (202)
Dehydrogenase

>  <Form> (202)
Free Base

>  <CAS> (202)
518-82-1

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

$$$$
Formononetin.cdx
csChFnd80/10202016042D

 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> (203)
203

>  <Formula> (203)
C16H12O4

>  <MolWeight> (203)
268.26408

>  <Cat> (203)
S2299

>  <Name> (203)
Formononetin (Formononetol)

>  <Synonyms> (203)
Biochanin B, Formononetol 

>  <Target> (203)
Others

>  <Form> (203)
Free Base

>  <CAS> (203)
485-72-3

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

$$$$
Fumalic acid.cdx
csChFnd80/10202016042D

 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> (204)
204

>  <Formula> (204)
C10H10O4

>  <MolWeight> (204)
194.184

>  <Cat> (204)
S2300

>  <Name> (204)
Fumalic acid (Ferulic acid)

>  <Synonyms> (204)
Ferulic acid

>  <Target> (204)
Others

>  <Form> (204)
Free Base

>  <CAS> (204)
1135-24-6

>  <URL> (204)
http://www.selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

$$$$
Hesperetin.cdx
csChFnd80/10202016042D

 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> (205)
205

>  <Formula> (205)
C16H14O6

>  <MolWeight> (205)
302.27876

>  <Cat> (205)
S2308

>  <Name> (205)
Hesperetin

>  <Synonyms> (205)
N/A

>  <Target> (205)
Histamine Receptor

>  <Form> (205)
Free Base

>  <CAS> (205)
520-33-2

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

$$$$
Honokiol.cdx
csChFnd80/10202016042D

 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> (206)
206

>  <Formula> (206)
C18H18O2

>  <MolWeight> (206)
266.33432

>  <Cat> (206)
S2310

>  <Name> (206)
Honokiol

>  <Synonyms> (206)
N/A

>  <Target> (206)
Akt, MEK

>  <Form> (206)
Free Base

>  <CAS> (206)
35354-74-6

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

$$$$
Myricetin.cdx
csChFnd80/10202016042D

 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> (207)
207

>  <Formula> (207)
C15H10O8

>  <MolWeight> (207)
318.2351

>  <Cat> (207)
S2326

>  <Name> (207)
Myricetin (Cannabiscetin)

>  <Synonyms> (207)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (207)
NULL

>  <Form> (207)
Free Base

>  <CAS> (207)
529-44-2

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

$$$$
Myricitrin.cdx
csChFnd80/10202016042D

 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> (208)
208

>  <Formula> (208)
C21H20O12

>  <MolWeight> (208)
464.3763

>  <Cat> (208)
S2327

>  <Name> (208)
Myricitrin (Myricitrine)

>  <Synonyms> (208)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (208)
PKC

>  <Form> (208)
Free Base

>  <CAS> (208)
17912-87-7

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/10202016042D

 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> (209)
209

>  <Formula> (209)
C15H14O9

>  <MolWeight> (209)
338.26626

>  <Cat> (209)
S2347

>  <Name> (209)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (209)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (209)
Others

>  <Form> (209)
Dihydrate

>  <CAS> (209)
6151-25-3

>  <URL> (209)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/10202016042D

 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> (210)
210

>  <Formula> (210)
C15H12O8

>  <MolWeight> (210)
320.25098

>  <Cat> (210)
S2399

>  <Name> (210)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (210)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (210)
Others

>  <Form> (210)
Free Base

>  <CAS> (210)
27200-12-0

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

$$$$
Sophocarpine.cdx
csChFnd80/10202016042D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  1  1  0  0  0
 10 20  1  6  0  0  0
  9 21  1  6  0  0  0
  8 22  1  6  0  0  0
M  END
>  <Mol_ID> (211)
211

>  <Formula> (211)
C15H22N2O

>  <MolWeight> (211)
246.34798

>  <Cat> (211)
S2405

>  <Name> (211)
Sophocarpine

>  <Synonyms> (211)
N/A

>  <Target> (211)
Others

>  <Form> (211)
Free Base

>  <CAS> (211)
6483-15-4

>  <URL> (211)
http://www.selleckchem.com/products/Sophocarpine.html

$$$$
Chrysophanic acid.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (212)
212

>  <Formula> (212)
C15H10O4

>  <MolWeight> (212)
254.2375

>  <Cat> (212)
S2406

>  <Name> (212)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (212)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (212)
EGFR, mTOR

>  <Form> (212)
Free Base

>  <CAS> (212)
481-74-3

>  <URL> (212)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
Curcumol.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C15H24O2

>  <MolWeight> (213)
236.34986

>  <Cat> (213)
S2407

>  <Name> (213)
Curcumol

>  <Synonyms> (213)
N/A

>  <Target> (213)
JAK

>  <Form> (213)
Free Base

>  <CAS> (213)
4871-97-0

>  <URL> (213)
http://www.selleckchem.com/products/Curcumol.html

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/10202016042D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (214)
214

>  <Formula> (214)
C18H29ClN2O

>  <MolWeight> (214)
324.88866

>  <Cat> (214)
S2454

>  <Name> (214)
Bupivacaine hydrochloride (Marcain)

>  <Synonyms> (214)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (214)
Sodium Channel

>  <Form> (214)
Hydrochloride

>  <CAS> (214)
18010-40-7

>  <URL> (214)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

$$$$
Imatinib.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (215)
215

>  <Formula> (215)
C29H31N7O

>  <MolWeight> (215)
493.60274

>  <Cat> (215)
S2475

>  <Name> (215)
Imatinib (STI571) 

>  <Synonyms> (215)
STI571, Glivec

>  <Form> (215)
Free Base

>  <CAS> (215)
152459-95-5

>  <URL> (215)
http://www.selleckchem.com/products/Imatinib(STI571).html

$$$$
PCI-32765.cdx
csChFnd80/10202016042D

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Src

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Free Base

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936563-96-1

>  <URL> (216)
http://www.selleckchem.com/products/pci-32765.html

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>  <Synonyms> (217)
N/A

>  <Target> (217)
Aurora Kinase

>  <Form> (217)
Free Base

>  <CAS> (217)
934541-31-8

>  <URL> (217)
http://www.selleckchem.com/products/tak-901.html

$$$$
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>  <Mol_ID> (218)
218

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C26H35N7O2S

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N/A

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Flt, JAK, c-RET

>  <Form> (218)
Free Base

>  <CAS> (218)
936091-14-4

>  <URL> (218)
http://www.selleckchem.com/products/tg101209.html

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>  <Mol_ID> (219)
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>  <Formula> (219)
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>  <MolWeight> (219)
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>  <Name> (219)
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>  <Target> (219)
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>  <Form> (219)
Free Base

>  <CAS> (219)
945595-80-2

>  <URL> (219)
http://www.selleckchem.com/products/amg-900.html

$$$$

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    4.0169   -3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9457   -2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0959   -9.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3084   -9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5208   -9.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7332   -9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9457   -9.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1581   -9.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4538   -4.1267    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  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
  6 15  1  0  0  0  0
  3 16  1  0  0  0  0
 10 17  2  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 11 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (220)
220

>  <Formula> (220)
C22H30Cl2N4O6

>  <MolWeight> (220)
517.4028

>  <Cat> (220)
S2485

>  <Name> (220)
Mitoxantrone 2HCl

>  <Synonyms> (220)
NSC-301739

>  <Target> (220)
Topoisomerase

>  <Form> (220)
Dihydrochloride

>  <CAS> (220)
70476-82-3

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

$$$$
GSK2126458.cdx
csChFnd80/10202016042D

 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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    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   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   11.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  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
 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
 17 26  1  0  0  0  0
 21 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 20 28  1  0  0  0  0
 14 23  1  0  0  0  0
 33 34  1  0  0  0  0
 11 33  1  0  0  0  0
 10 12  1  0  0  0  0
  4 35  1  0  0  0  0
  2 36  1  0  0  0  0
M  END
>  <Mol_ID> (221)
221

>  <Formula> (221)
C25H17F2N5O3S

>  <MolWeight> (221)
505.4959864

>  <Cat> (221)
S2658

>  <Name> (221)
Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (221)
N/A 

>  <Target> (221)
PI3K, mTOR

>  <Form> (221)
Free Base

>  <CAS> (221)
1086062-66-9 

>  <URL> (221)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
fty720.cdx
csChFnd80/10202016042D

 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
    7.2788    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2788    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    3.6373    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8712    3.0198    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  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> (222)
222

>  <Formula> (222)
C19H34ClNO2

>  <MolWeight> (222)
343.93176

>  <Cat> (222)
S5002

>  <Name> (222)
Fingolimod (FTY720) HCl

>  <Synonyms> (222)
Gilenia 

>  <Target> (222)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (222)
Hydrochloride

>  <URL> (222)
http://www.selleckchem.com/products/FTY720.html

$$$$
CP-690550 citrate.cdx
csChFnd80/10202016042D

 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
    0.0042    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.7322    3.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   13.3115    3.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
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  8  9  2  0  0  0  0
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  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  6  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 12  1  0  0  0  0
 17 18  1  6  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 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> (223)
223

>  <Formula> (223)
C22H28N6O8

>  <MolWeight> (223)
504.49312

>  <Cat> (223)
S5001

>  <Name> (223)
Tofacitinib citrate (CP-690550 citrate)

>  <Synonyms> (223)
N/A 

>  <Target> (223)
JAK

>  <Form> (223)
Citrate

>  <CAS> (223)
540737-29-9

>  <URL> (223)
http://www.selleckchem.com/products/CP-690550.html

$$$$
CAL-1011.cdx
csChFnd80/10202016042D

 31 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.7133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    7.8133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Telatinib (BAY 57-9352)

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N/A 

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VEGFR, PDGFR, c-Kit

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Free Base

>  <CAS> (227)
332012-40-5

>  <URL> (227)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

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228

>  <Formula> (228)
C10H16ClN5

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S2542

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Phenformin hydrochloride 

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N/A

>  <Target> (228)
AMPK

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Hydrochloride 

>  <CAS> (228)
834-28-6

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

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AZD5438.cdx
csChFnd80/10202016042D

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AZD5438

>  <Synonyms> (229)
N/A 

>  <Target> (229)
CDK

>  <Form> (229)
Free Base

>  <CAS> (229)
602306-29-6 

>  <URL> (229)
http://www.selleckchem.com/products/AZD5438.html

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OSI-027.cdx
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>  <Cat> (230)
S2624

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OSI-027

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N/A 

>  <Target> (230)
mTOR

>  <Form> (230)
Free Base

>  <CAS> (230)
936890-98-1

>  <URL> (230)
http://www.selleckchem.com/products/OSI027.html

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PP-121

>  <Synonyms> (231)
N/A

>  <Target> (231)
DNA-PK, mTOR, PDGF

>  <Form> (231)
Free Base

>  <CAS> (231)
1092788-83-4

>  <URL> (231)
http://www.selleckchem.com/products/PP121.html

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M  END
>  <Mol_ID> (232)
232

>  <Formula> (232)
C19H18BrN3O

>  <MolWeight> (232)
384.26972

>  <Cat> (232)
S2243

>  <Name> (232)
Degrasyn (WP1130)

>  <Synonyms> (232)
N/A

>  <Target> (232)
DUB, Bcr-Abl

>  <Form> (232)
Free Base

>  <CAS> (232)
856243-80-6

>  <URL> (232)
http://www.selleckchem.com/products/WP1130.html

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (233)
233

>  <Formula> (233)
C11H18ClNO3

>  <MolWeight> (233)
247.71852

>  <Cat> (233)
S2566

>  <Name> (233)
Isoprenaline hydrochloride

>  <Synonyms> (233)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (233)
Adrenergic Receptor

>  <Form> (233)
Hydrochloride

>  <CAS> (233)
51-30-9

>  <URL> (233)
http://www.selleckchem.com/products/Isoprenaline-hydrochloride.html

$$$$
BKM-120.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (234)
234

>  <Formula> (234)
C18H21F3N6O2

>  <MolWeight> (234)
410.3935496

>  <Cat> (234)
S2247

>  <Name> (234)
BKM120 (NVP-BKM120)

>  <Synonyms> (234)
N/A 

>  <Target> (234)
PI3K

>  <Form> (234)
Free Base

>  <CAS> (234)
944396-07-0

>  <URL> (234)
http://www.selleckchem.com/products/BKM-120.html

$$$$
CX-4945.cdx
csChFnd80/10202016042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (235)
235

>  <Formula> (235)
C19H12ClN3O2

>  <MolWeight> (235)
349.77048

>  <Cat> (235)
S2248

>  <Name> (235)
cx-4945 (Silmitasertib)

>  <Synonyms> (235)
N/A 

>  <Target> (235)
PKC

>  <Form> (235)
Free Base

>  <CAS> (235)
1009820-21-6

>  <URL> (235)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

$$$$
LY2157299.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (236)
236

>  <Formula> (236)
C22H19N5O

>  <MolWeight> (236)
369.41916

>  <Cat> (236)
S2230

>  <Name> (236)
Galunisertib (LY2157299)

>  <Synonyms> (236)
N/A 

>  <Target> (236)
TGF-beta/Smad

>  <Form> (236)
Free Base

>  <CAS> (236)
700874-72-2

>  <URL> (236)
http://www.selleckchem.com/products/ly2157299.html

$$$$
TAK733.cdx
csChFnd80/10202016042D

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1166227-08-2 

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939791-38-5

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1144068-46-1

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

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IGF-1R

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Free Base

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1001350-96-4

>  <URL> (251)
http://www.selleckchem.com/products/BMS-754807.html

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601514-19-6

>  <URL> (252)
http://www.selleckchem.com/products/TWS119.html

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c-Met

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Free Base

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477575-56-7

>  <URL> (257)
http://www.selleckchem.com/products/PHA-665752.html

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Geldanamycin.cdx
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258

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C29H40N2O9

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Geldanamycin

>  <Synonyms> (258)
N/A

>  <Target> (258)
HSP

>  <Form> (258)
Free Base

>  <CAS> (258)
30562-34-6

>  <URL> (258)
http://www.selleckchem.com/products/geldanamycin.html

$$$$
A769662.cdx
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>  <Mol_ID> (259)
259

>  <Formula> (259)
C20H12N2O3S

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A-769662

>  <Synonyms> (259)
N/A

>  <Target> (259)
AMPK

>  <Form> (259)
Free Base

>  <CAS> (259)
844499-71-4

>  <URL> (259)
http://www.selleckchem.com/products/a-769662.html

$$$$
KX2-391.cdx
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Src

>  <Form> (260)
Free Base

>  <CAS> (260)
897016-82-9

>  <URL> (260)
http://www.selleckchem.com/products/kx2-391.html

$$$$
GSK1838705A.cdx
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Kinesin

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Free Base

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1124329-14-1

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

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PI3K, mTOR

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Free Base

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1007207-67-1

>  <URL> (266)
http://www.selleckchem.com/products/ch5132799.html

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Apitolisib (GDC-0980, RG7422)

>  <Synonyms> (267)
N/A 

>  <Target> (267)
mTOR, PI3K

>  <Form> (267)
Free Base

>  <CAS> (267)
1032754-93-0

>  <URL> (267)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

$$$$
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Flavopiridol (Alvocidib) HCl

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N/A

>  <Target> (268)
CDK

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Hydrochloride

>  <CAS> (268)
131740-09-5

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

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>  <Target> (269)
p38 MAPK

>  <Form> (269)
Free Base

>  <CAS> (269)
586379-66-0

>  <URL> (269)
http://www.selleckchem.com/products/ph-797804.html

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EGFR

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1110813-31-4

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264218-23-7

>  <URL> (271)
http://www.selleckchem.com/products/sb-415286.html

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C21H28N6O2

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Dinaciclib (SCH727965)

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>  <Target> (273)
CDK

>  <Form> (273)
Free Base

>  <CAS> (273)
779353-01-4

>  <URL> (273)
http://www.selleckchem.com/products/dinaciclib-sch727965.html

$$$$
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MK-5108 (VX-689)

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N/A 

>  <Target> (274)
Aurora Kinase

>  <Form> (274)
Free Base

>  <CAS> (274)
1010085-13-8

>  <URL> (274)
http://www.selleckchem.com/products/mk-5108-vx-689.html

$$$$
CP868569.cdx
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275

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C26H29N5O2

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>  <Cat> (275)
S2730

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Crenolanib (CP-868596)

>  <Synonyms> (275)
N/A 

>  <Target> (275)
PDGFR

>  <Form> (275)
Free Base

>  <CAS> (275)
670220-88-9

>  <URL> (275)
http://www.selleckchem.com/products/crenolanib-cp-868596.html

$$$$
AG-1478.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (276)
276

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C16H14ClN3O2

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Tyrphostin AG-1478

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EGFR

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153436-53-4

>  <URL> (276)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
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C22H27N5O4

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PF-04691502

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N/A

>  <Target> (277)
mTOR, PI3K, Akt

>  <Form> (277)
Free Base

>  <CAS> (277)
1013101-36-4 

>  <URL> (277)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Benidipine hydrochloride.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (278)
278

>  <Formula> (278)
C28H32ClN3O6

>  <MolWeight> (278)
542.02318

>  <Cat> (278)
S2017

>  <Name> (278)
Benidipine hydrochloride

>  <Synonyms> (278)
N/A

>  <Target> (278)
calcium channel

>  <Form> (278)
Hydrochloride

>  <CAS> (278)
91599-74-5

>  <URL> (278)
http://www.selleckchem.com/products/benidipine-hydrochloride.html

$$$$
Lonidamine.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (279)
279

>  <Formula> (279)
C15H10Cl2N2O2

>  <MolWeight> (279)
321.1581

>  <Cat> (279)
S2610

>  <Name> (279)
Lonidamine

>  <Synonyms> (279)
N/A

>  <Target> (279)
Others

>  <Form> (279)
Free Base

>  <CAS> (279)
50264-69-2

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

$$$$
CP 673451.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (280)
280

>  <Formula> (280)
C24H27N5O2

>  <MolWeight> (280)
417.50348

>  <Cat> (280)
S1536

>  <Name> (280)
CP 673451

>  <Synonyms> (280)
CP673451 

>  <Target> (280)
Others

>  <Form> (280)
Free Base

>  <CAS> (280)
343787-29-1

>  <URL> (280)
http://www.selleckchem.com/products/CP-673451.html

$$$$
Acarbose.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (281)
281

>  <Formula> (281)
C25H43NO18

>  <MolWeight> (281)
645.60482

>  <Cat> (281)
S1271

>  <Name> (281)
Acarbose

>  <Synonyms> (281)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (281)
Others

>  <Form> (281)
Free Base

>  <CAS> (281)
56180-94-0

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

$$$$
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csChFnd80/10202016042D

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>  <Mol_ID> (282)
282

>  <Formula> (282)
C14H22N2O

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234.33728

>  <Cat> (282)
S1357

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Lidocaine (Alphacaine)

>  <Synonyms> (282)
Alphacaine, Xylocaine, lignocaine

>  <Target> (282)
Histamine Receptor

>  <Form> (282)
Free Base

>  <CAS> (282)
137-58-6

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

$$$$
PHA.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (283)
283

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C12H11N3O

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S2742

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PHA-767491

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N/A 

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CDK

>  <Form> (283)
Free Base

>  <CAS> (283)
845714-00-3

>  <URL> (283)
http://www.selleckchem.com/products/pha-767491.html

$$$$
TPCA-1.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (284)
284

>  <Formula> (284)
C12H10FN3O2S

>  <MolWeight> (284)
279.2901032

>  <Cat> (284)
S2824

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TPCA-1

>  <Synonyms> (284)
N/A 

>  <Target> (284)
IKK

>  <Form> (284)
Free Base

>  <CAS> (284)
507475-17-4

>  <URL> (284)
http://www.selleckchem.com/products/tpca-1.html

$$$$
AZD 6482.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (285)
285

>  <Formula> (285)
C22H24N4O4

>  <MolWeight> (285)
408.45036

>  <Cat> (285)
S1462

>  <Name> (285)
AZD6482

>  <Synonyms> (285)
N/A 

>  <Target> (285)
PI3K

>  <Form> (285)
Free Base

>  <CAS> (285)
1173900-33-8

>  <URL> (285)
http://www.selleckchem.com/products/azd6482.html

$$$$
Varlitinib(ARRY-334543).cdx
csChFnd80/10202016042D

 32 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (286)
286

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C22H19ClN6O2S

>  <MolWeight> (286)
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>  <Cat> (286)
S2755

>  <Name> (286)
Varlitinib

>  <Synonyms> (286)
ARRY334543

>  <Target> (286)
EGFR

>  <Form> (286)
Free Base

>  <CAS> (286)
845272-21-1

>  <URL> (286)
http://www.selleckchem.com/products/arry334543.html

$$$$
Tideglusib.cdx
csChFnd80/10202016042D

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291

>  <Formula> (291)
C33H37F2N7O4

>  <MolWeight> (291)
633.6881864

>  <Cat> (291)
S2859

>  <Name> (291)
Golvatinib (E7050) 

>  <Synonyms> (291)
E7050

>  <Target> (291)
c-Met, VEGFR

>  <Form> (291)
Free Base

>  <CAS> (291)
928037-13-2

>  <URL> (291)
http://www.selleckchem.com/products/golvatinib-e7050.html

$$$$
WHI-P154.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (292)
292

>  <Formula> (292)
C16H14BrN3O3

>  <MolWeight> (292)
376.20466

>  <Cat> (292)
S2867

>  <Name> (292)
WHI-P154

>  <Synonyms> (292)
N/A

>  <Target> (292)
JAK, EGFR

>  <Form> (292)
Free Base

>  <CAS> (292)
211555-04-3

>  <URL> (292)
http://www.selleckchem.com/products/whi-p154.html

$$$$
Schisandrin B.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (293)
293

>  <Formula> (293)
C23H28O6

>  <MolWeight> (293)
400.46482

>  <Cat> (293)
S3600

>  <Name> (293)
Schisandrin B

>  <Synonyms> (293)
N/A

>  <Target> (293)
Others

>  <Form> (293)
Free Base

>  <CAS> (293)
61281-37-6

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

$$$$
IKK-16.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (294)
294

>  <Formula> (294)
C28H29N5OS

>  <MolWeight> (294)
483.62776

>  <Cat> (294)
S2882

>  <Name> (294)
IKK-16

>  <Synonyms> (294)
N/A

>  <Target> (294)
IKK

>  <Form> (294)
Free Base

>  <CAS> (294)
873225-46-8

>  <URL> (294)
http://www.selleckchem.com/products/ikk-16.html

$$$$
PF-562271.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (300)
300

>  <Formula> (300)
C16H13ClFN3O2

>  <MolWeight> (300)
333.7447232

>  <Cat> (300)
S2897

>  <Name> (300)
ZM 306416

>  <Synonyms> (300)
N/A

>  <Target> (300)
VEGFR

>  <Form> (300)
Free Base

>  <CAS> (300)
690206-97-4

>  <URL> (300)
http://www.selleckchem.com/products/zm-306416.html

$$$$
S-Ruxolitinib.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (301)
301

>  <Formula> (301)
C17H18N6

>  <MolWeight> (301)
306.36502

>  <Cat> (301)
S2902

>  <Name> (301)
S-Ruxolitinib

>  <Synonyms> (301)
N/A

>  <Target> (301)
JAK

>  <Form> (301)
Free Base

>  <CAS> (301)
941685-37-6

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

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (302)
302

>  <Formula> (302)
C19H21ClFNO3

>  <MolWeight> (302)
365.8263432

>  <Cat> (302)
S3005

>  <Name> (302)
Paroxetine HCl

>  <Synonyms> (302)
N/A

>  <Target> (302)
5-HT Receptor

>  <Form> (302)
Hydrochloride

>  <CAS> (302)
78246-49-8

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

$$$$
PF477736.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (303)
303

>  <Formula> (303)
C22H25N7O2

>  <MolWeight> (303)
419.4796

>  <Cat> (303)
S2904

>  <Name> (303)
PF 477736

>  <Synonyms> (303)
PF-00477736

>  <Target> (303)
Chk

>  <Form> (303)
Free Base

>  <CAS> (303)
952021-60-2

>  <URL> (303)
http://www.selleckchem.com/products/pf-477736.html

$$$$
Go 6983.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (304)
304

>  <Formula> (304)
C26H26N4O3

>  <MolWeight> (304)
442.50964

>  <Cat> (304)
S2911

>  <Name> (304)
Go 6983

>  <Synonyms> (304)
N/A

>  <Target> (304)
PKC

>  <Form> (304)
Free Base

>  <CAS> (304)
133053-19-7

>  <URL> (304)
http://www.selleckchem.com/products/go-6983.html

$$$$
PF 573228.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (309)
309

>  <Formula> (309)
C24H21N3OS

>  <MolWeight> (309)
399.50804

>  <Cat> (309)
S2928

>  <Name> (309)
TAK 715

>  <Synonyms> (309)
N/A 

>  <Target> (309)
p38 MAPK

>  <Form> (309)
Free Base

>  <CAS> (309)
303162-79-0

>  <URL> (309)
http://www.selleckchem.com/products/tak-715.html

$$$$
TDZD-8.cdx
csChFnd80/10202016042D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (310)
310

>  <Formula> (310)
C10H10N2O2S

>  <MolWeight> (310)
222.2636

>  <Cat> (310)
S2926

>  <Name> (310)
TDZD-8

>  <Synonyms> (310)
N/A

>  <Target> (310)
GSK-3

>  <Form> (310)
Free Base

>  <CAS> (310)
327036-89-5 

>  <URL> (310)
http://www.selleckchem.com/products/tdzd-8.html

$$$$
Melatonin.cdx
csChFnd80/10202016042D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (311)
311

>  <Formula> (311)
C13H16N2O2

>  <MolWeight> (311)
232.27834

>  <Cat> (311)
S1204

>  <Name> (311)
Melatonin

>  <Synonyms> (311)
Melatonex

>  <Target> (311)
MT Receptor

>  <Form> (311)
Free Base

>  <CAS> (311)
73-31-4

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

$$$$
H-89.cdx
csChFnd80/10202016042D

 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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M  END
>  <Mol_ID> (312)
312

>  <Formula> (312)
C20H22BrCl2N3O2S

>  <MolWeight> (312)
519.28258

>  <Cat> (312)
S1582

>  <Name> (312)
H 89 2HCl

>  <Synonyms> (312)
N/A

>  <Target> (312)
S6 Kinase

>  <Form> (312)
Dihydrochloride

>  <CAS> (312)
130964-39-5

>  <URL> (312)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

$$$$
Oxfendazole.cdx
csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6331    1.3951    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
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 14  2  1  0  0  0  0
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M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C15H13N3O3S

>  <MolWeight> (313)
315.34702

>  <Cat> (313)
S1830

>  <Name> (313)
Oxfendazole

>  <Synonyms> (313)
N/A

>  <Target> (313)
Antifection

>  <Form> (313)
Free Base

>  <CAS> (313)
53716-50-0

>  <URL> (313)
http://www.selleckchem.com/products/oxfendazole.html

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (314)
314

>  <Formula> (314)
C18H23Cl2NO

>  <MolWeight> (314)
340.28732

>  <Cat> (314)
S2499

>  <Name> (314)
Phenoxybenzamine HCl

>  <Synonyms> (314)
N/A

>  <Target> (314)
Androgen Receptor

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HCl

>  <CAS> (314)
63-92-3

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

$$$$
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csChFnd80/10202016042D

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315

>  <Formula> (315)
C21H23N7O2S

>  <MolWeight> (315)
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>  <Cat> (315)
S3012

>  <Name> (315)
Pazopanib

>  <Synonyms> (315)
N/A

>  <Target> (315)
VEGFR

>  <Form> (315)
Free Base

>  <CAS> (315)
444731-52-6

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

$$$$
BAY 11-7082.cdx
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316

>  <Formula> (316)
C10H9NO2S

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S2913

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BAY 11-7082 (BAY 11-7821)

>  <Synonyms> (316)
N/A

>  <Target> (316)
I¦ÊB/IKK

>  <Form> (316)
Free Base

>  <CAS> (316)
19542-67-7

>  <URL> (316)
http://www.selleckchem.com/products/bay-11-7082-bay-11-7821.html

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GNF-2.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (317)
317

>  <Formula> (317)
C18H13F3N4O2

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374.3166296

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S2899

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GNF-2

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N/A

>  <Target> (317)
Bcr-Abl

>  <Form> (317)
Free Base

>  <CAS> (317)
778270-11-4

>  <URL> (317)
http://www.selleckchem.com/products/gnf-2.html

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OSI-906.cdx
csChFnd80/10202016042D

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318

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C26H23N5O

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OSI-906 (Linsitinib)

>  <Synonyms> (318)
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>  <Target> (318)
IGF-1R

>  <Form> (318)
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>  <CAS> (318)
867160-71-2

>  <URL> (318)
http://www.selleckchem.com/products/OSI-906.html

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aicar.cdx
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M  END
>  <Mol_ID> (319)
319

>  <Formula> (319)
C9H14N4O5

>  <MolWeight> (319)
258.23126

>  <Cat> (319)
S1802

>  <Name> (319)
AICAR (Acadesine)

>  <Synonyms> (319)
AICAR, AICA-riboside

>  <Target> (319)
AMPK

>  <Form> (319)
Free Base

>  <CAS> (319)
2627-69-2

>  <URL> (319)
http://www.selleckchem.com/products/Acadesine.html

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (320)
320

>  <Formula> (320)
C32H30FN3O10

>  <MolWeight> (320)
635.5931032

>  <Cat> (320)
S4001

>  <Name> (320)
Cabozantinib malate

>  <Synonyms> (320)
N/A

>  <Target> (320)
VEGFR

>  <Form> (320)
Malate

>  <CAS> (320)
1140909-48-3

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

$$$$
PF-04708671.cdx
csChFnd80/10202016042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (321)
321

>  <Formula> (321)
C19H21F3N6

>  <MolWeight> (321)
390.4054496

>  <Cat> (321)
S2163

>  <Name> (321)
PF-4708671

>  <Synonyms> (321)
PF-04708671

>  <Target> (321)
S6 Kinase

>  <Form> (321)
Free Base

>  <CAS> (321)
1255517-76-0

>  <URL> (321)
http://www.selleckchem.com/products/pf-4708671.html

$$$$
SL327.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (322)
322

>  <Formula> (322)
C16H12F3N3S

>  <MolWeight> (322)
335.3467896

>  <Cat> (322)
S1066

>  <Name> (322)
SL327

>  <Synonyms> (322)
N/A

>  <Target> (322)
MEK

>  <Form> (322)
Free Base

>  <CAS> (322)
305350-87-2

>  <URL> (322)
http://www.selleckchem.com/products/SL327.html

$$$$
sennoside B.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (323)
323

>  <Formula> (323)
C42H38O20

>  <MolWeight> (323)
862.73912

>  <Cat> (323)
S4018

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Sennoside B

>  <Synonyms> (323)
N/A

>  <Target> (323)
Others

>  <Form> (323)
Free Base

>  <CAS> (323)
128-57-4

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

$$$$
JNK-IN-8.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (324)
324

>  <Formula> (324)
C29H29N7O2

>  <MolWeight> (324)
507.58626

>  <Cat> (324)
S4901

>  <Name> (324)
JNK-IN-8

>  <Synonyms> (324)
N/A

>  <Target> (324)
Free Base

>  <Form> (324)
Free Base

>  <CAS> (324)
1410880-22-6

>  <URL> (324)
http://www.selleckchem.com/products/jnk-in-8.html

$$$$
SC-514.cdx
csChFnd80/10202016042D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (325)
325

>  <Formula> (325)
C9H8N2OS2

>  <MolWeight> (325)
224.30262

>  <Cat> (325)
S4907

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SC-514 

>  <Synonyms> (325)
N/A

>  <Target> (325)
I¦ÊB/IKK

>  <Form> (325)
Free Base

>  <CAS> (325)
354812-17-2

>  <URL> (325)
http://www.selleckchem.com/products/sc-514.html

$$$$
Doxapram HCl.cdx
csChFnd80/10202016042D

 30 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (326)
326

>  <Formula> (326)
C24H33ClN2O3

>  <MolWeight> (326)
432.98342

>  <Cat> (326)
S4037

>  <Name> (326)
Doxapram HCl

>  <Synonyms> (326)
N/A

>  <Target> (326)
Potassium Channel

>  <Form> (326)
HCl

>  <CAS> (326)
7081-53-0

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

$$$$
MDBN.cdx
csChFnd80/10202016042D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (327)
327

>  <Formula> (327)
C9H7NO4

>  <MolWeight> (327)
193.15618

>  <Cat> (327)
S4921

>  <Name> (327)
MNS (3,4-Methylenedioxy-¦Â-nitrostyrene)

>  <Synonyms> (327)
N/A

>  <Target> (327)
Tyrosinase,p97,Syk,Src

>  <Form> (327)
Free Base

>  <CAS> (327)
1485-00-3

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

$$$$
VX-745.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (328)
328

>  <Formula> (328)
C19H9Cl2F2N3OS

>  <MolWeight> (328)
436.2620664

>  <Cat> (328)
S1458

>  <Name> (328)
VX-745

>  <Synonyms> (328)
N/A

>  <Target> (328)
p38 MAPK 

>  <Form> (328)
Free Base

>  <CAS> (328)
209410-46-8

>  <URL> (328)
http://www.selleckchem.com/products/VX-745.html

$$$$
untitled.cdx
csChFnd80/10202016042D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.2572    1.2898    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 16  9  1  0  0  0  0
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M  END
>  <Mol_ID> (329)
329

>  <Formula> (329)
C13H16N6O4

>  <MolWeight> (329)
320.30394

>  <Cat> (329)
S1117

>  <Name> (329)
Triciribine

>  <Synonyms> (329)
N/A

>  <Target> (329)
Akt

>  <Form> (329)
Free Base

>  <CAS> (329)
35943-35-2

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

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/10202016042D

 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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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (330)
330

>  <Formula> (330)
C15H12O7

>  <MolWeight> (330)
304.25158

>  <Cat> (330)
S2366

>  <Name> (330)
Taxifolin (Dihydroquercetin)

>  <Synonyms> (330)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (330)
VEGFR

>  <Form> (330)
Free Base

>  <CAS> (330)
480-18-2

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

$$$$
Flufenamic acid.cdx
csChFnd80/10202016042D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (331)
331

>  <Formula> (331)
C14H10F3NO2

>  <MolWeight> (331)
281.2299096

>  <Cat> (331)
S4268

>  <Name> (331)
Flufenamic acid

>  <Synonyms> (331)
N/A

>  <Target> (331)
COX

>  <Form> (331)
Free Base

>  <CAS> (331)
530-78-9

>  <URL> (331)
http://www.selleckchem.com/products/flufenamic-acid.html

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/10202016042D

 31 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (332)
332

>  <Formula> (332)
C19H20F3IN2O5S

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>  <Cat> (332)
S1089

>  <Name> (332)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (332)
BAY 869766

>  <Target> (332)
MEK

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Free Base

>  <CAS> (332)
923032-37-5

>  <URL> (332)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
Dicoumarol.cdx
csChFnd80/10202016042D

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333

>  <Formula> (333)
C19H12O6

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336.29498

>  <Cat> (333)
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>  <Name> (333)
Dicoumarol

>  <Synonyms> (333)
Dicumarol

>  <Target> (333)
Others

>  <Form> (333)
Free Base

>  <CAS> (333)
66-76-2

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

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/10202016042D

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334

>  <Formula> (334)
C24H25ClFN5O3

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S1011

>  <Name> (334)
Afatinib (BIBW2992)

>  <Synonyms> (334)
N/A

>  <Target> (334)
EGFR

>  <Form> (334)
Free Base

>  <CAS> (334)
439081-18-2

>  <URL> (334)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
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M  END
>  <Mol_ID> (335)
335

>  <Formula> (335)
C44H69NO12

>  <MolWeight> (335)
804.01816

>  <Cat> (335)
S5003

>  <Name> (335)
Tacrolimus (FK506)

>  <Synonyms> (335)
FR900506

>  <Target> (335)
mTOR

>  <Form> (335)
Free Base

>  <CAS> (335)
104987-11-3

>  <URL> (335)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
R-Ruxolitinib.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (336)
336

>  <Formula> (336)
C17H18N6

>  <MolWeight> (336)
306.36502

>  <Cat> (336)
S1378

>  <Name> (336)
Ruxolitinib (INCB018424)

>  <Synonyms> (336)
N/A

>  <Target> (336)
JAK

>  <Form> (336)
Free Base

>  <CAS> (336)
941678-49-5

>  <URL> (336)
http://www.selleckchem.com/products/INCB18424.html

$$$$
Temsirolimus.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (337)
337

>  <Formula> (337)
C56H87NO16

>  <MolWeight> (337)
1030.28708

>  <Cat> (337)
S1044

>  <Name> (337)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (337)
N/A

>  <Target> (337)
mTOR

>  <Form> (337)
Free Base

>  <CAS> (337)
162635-04-3

>  <URL> (337)
http://www.selleckchem.com/products/Temsirolimus.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/10202016042D

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FLT3

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Free Base

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1291074-87-7

>  <URL> (338)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

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N/A 

>  <Target> (339)
c-Met, ALK

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>  <CAS> (339)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (339)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
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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> (340)
http://www.selleckchem.com/products/BMS-599626.html

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S1263.cdx
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341

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CHIR-99021 (CT99021)

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GSK-3

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252917-06-9

>  <URL> (341)
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$$$$
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    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  6 12  1  0  0  0  0
  2 13  1  0  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 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 14 20  1  6  0  0  0
 15 21  1  1  0  0  0
 17 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (342)
342

>  <Formula> (342)
C21H20ClNO5

>  <MolWeight> (342)
401.8402

>  <Cat> (342)
S1230

>  <Name> (342)
Flavopiridol (Alvocidib)

>  <Synonyms> (342)
NSC 649890 HCl,HMR-1275

>  <Target> (342)
CDK

>  <Form> (342)
Free Base

>  <CAS> (342)
146426-40-6

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

$$$$

csChFnd80/10202016042D

 20 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9710   28.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2488   28.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1099   18.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3877   18.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 16  2  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (343)
343

>  <Formula> (343)
C6H13Li3O11

>  <MolWeight> (343)
281.98382

>  <Cat> (343)
S4519

>  <Name> (343)
Citric acid trilithium salt tetrahydrate

>  <Synonyms> (343)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (343)
Others

>  <Form> (343)
Free Base

>  <CAS> (343)
6080-58-6

>  <URL> (343)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

$$$$
Danthron.cdx
csChFnd80/10202016042D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4399    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (344)
344

>  <Formula> (344)
C14H8O4

>  <MolWeight> (344)
240.21092

>  <Cat> (344)
S4561

>  <Name> (344)
Danthron

>  <Synonyms> (344)
chrysazin, Antrapurol

>  <Target> (344)
Others

>  <Form> (344)
Free Base

>  <CAS> (344)
117-10-2

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

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/10202016042D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.9705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.2729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3999    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (345)
345

>  <Formula> (345)
C14H23ClN2O

>  <MolWeight> (345)
270.79822

>  <Cat> (345)
S4667

>  <Name> (345)
Lidocaine hydrochloride

>  <Synonyms> (345)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (345)
Others

>  <Form> (345)
hydrochloride

>  <CAS> (345)
73-78-9

>  <URL> (345)
http://www.selleckchem.com/products/lidocaine-hydrochloride.html

$$$$
S4711 Esculetin.cdx
csChFnd80/10202016042D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (346)
346

>  <Formula> (346)
C9H6O4

>  <MolWeight> (346)
178.14154

>  <Cat> (346)
S4711

>  <Name> (346)
Esculetin

>  <Synonyms> (346)
Cichorigenin|Aesculetin

>  <Target> (346)
Others

>  <Form> (346)
Free Base

>  <CAS> (346)
305-01-1

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

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/10202016042D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1000    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (347)
347

>  <Formula> (347)
C6H12O5

>  <MolWeight> (347)
164.15648

>  <Cat> (347)
S4701

>  <Name> (347)
2-Deoxy-D-glucose

>  <Synonyms> (347)
2-deoxyglucose, NSC 15193

>  <Target> (347)
Others

>  <Form> (347)
Free Base

>  <CAS> (347)
154-17-6

>  <URL> (347)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/10202016042D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C21H26ClN3OS

>  <MolWeight> (348)
403.96864

>  <Cat> (348)
S4731

>  <Name> (348)
Perphenazine

>  <Synonyms> (348)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (348)
Dopamine Receptor

>  <Form> (348)
Free Base

>  <CAS> (348)
58-39-9

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

$$$$

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>  <Mol_ID> (349)
349

>  <Formula> (349)
C20H30N4O2

>  <MolWeight> (349)
358.4778

>  <Cat> (349)
S1024

>  <Name> (349)
LTI-291

>  <Synonyms> (349)
N/A

>  <Target> (349)
Others

>  <Form> (349)
Free Base

>  <CAS> (349)
1919820-28-2

>  <URL> (349)
http://www.selleck.cn/products/lti-291.html

$$$$
S4736 Trapidil.cdx
csChFnd80/10202016042D

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350

>  <Formula> (350)
C10H15N5

>  <MolWeight> (350)
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>  <Cat> (350)
S4736

>  <Name> (350)
Trapidil

>  <Synonyms> (350)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (350)
PDGFR

>  <Form> (350)
Free Base

>  <CAS> (350)
15421-84-8

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

$$$$
S4743 Wogonin.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (351)
351

>  <Formula> (351)
C16H12O5

>  <MolWeight> (351)
284.26348

>  <Cat> (351)
S4743

>  <Name> (351)
Wogonin

>  <Synonyms> (351)
Vogonin

>  <Target> (351)
CDK

>  <Form> (351)
Free Base

>  <CAS> (351)
632-85-9

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

$$$$
NS-187.cdx
csChFnd80/10202016042D

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352

>  <Formula> (352)
C30H31F3N8O

>  <MolWeight> (352)
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>  <Cat> (352)
S1369

>  <Name> (352)
Bafetinib (INNO-406)

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NS-187

>  <Target> (352)
Abl,Lyn

>  <Form> (352)
Free Base

>  <CAS> (352)
859212-16-1

>  <URL> (352)
http://www.selleckchem.com/products/Bafetinib.html

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (353)
353

>  <Formula> (353)
C37H42Cl2N2O6

>  <MolWeight> (353)
681.64518

>  <Cat> (353)
S3609

>  <Name> (353)
Berbamine (dihydrochloride)

>  <Synonyms> (353)
N/A

>  <Target> (353)
NF-¦ÊB,bcr/abl

>  <Form> (353)
dihydrochloride

>  <CAS> (353)
6078-17-7

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

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/10202016042D

 26 27  0  0  0  0  0  0  0  0999 V2000
   10.9118    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1346    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.1905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3366    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    4.8905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5501    2.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.2905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5549    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (354)
354

>  <Formula> (354)
C18H16O8

>  <MolWeight> (354)
360.31484

>  <Cat> (354)
S3612

>  <Name> (354)
Rosmarinic acid

>  <Synonyms> (354)
Rosemary acid

>  <Target> (354)
IKK ¦Â

>  <Form> (354)
free base

>  <CAS> (354)
20283-92-5

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

$$$$
S3606 Fangchinoline.cdx
csChFnd80/10202016042D

 45 51  0  0  0  0  0  0  0  0999 V2000
    2.4346    8.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6614    8.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2048    8.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2048   10.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0852    7.9086    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.4389    2.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0330   10.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3874    6.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3443    8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2123    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4102    3.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2414   10.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    5.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5568    7.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0959    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  1  0  0  0
  3  8  1  0  0  0  0
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  4 10  1  0  0  0  0
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 29 34  1  1  0  0  0
 29 35  1  0  0  0  0
 31 36  1  0  0  0  0
 32 37  1  0  0  0  0
 33 38  1  0  0  0  0
 34 39  1  0  0  0  0
 35 40  1  0  0  0  0
 35 38  1  0  0  0  0
 36 41  1  0  0  0  0
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 39 44  2  0  0  0  0
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 42 44  1  0  0  0  0
 43 45  2  0  0  0  0
M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C37H40N2O6

>  <MolWeight> (355)
608.7233

>  <Cat> (355)
S3606

>  <Name> (355)
Fangchinoline

>  <Synonyms> (355)
N/A

>  <Target> (355)
HIV-1

>  <Form> (355)
free base

>  <CAS> (355)
33889-68-8

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

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/10202016042D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4248    2.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    3.5111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    1.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2319    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6177    4.2223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (356)
356

>  <Formula> (356)
C4H7NO2

>  <MolWeight> (356)
101.10388

>  <Cat> (356)
S3699

>  <Name> (356)
2,3-Butanedione-2-monoxime

>  <Synonyms> (356)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (356)
skeletal muscle myosin-II

>  <Form> (356)
free base

>  <CAS> (356)
57-71-6

>  <URL> (356)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/10202016042D

 70 77  0  0  0  0  0  0  0  0999 V2000
   11.8879   14.3792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   15.0858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8879   13.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1895   13.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0965   15.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4433   14.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   16.4799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.3940   12.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2955   14.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2257   15.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8879   17.1864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3875   17.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9012   10.9398    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 16  9  1  1  0  0  0
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M  END
>  <Mol_ID> (357)
357

>  <Formula> (357)
C48H78O19

>  <MolWeight> (357)
959.12152

>  <Cat> (357)
S3616

>  <Name> (357)
Asiaticoside

>  <Synonyms> (357)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (357)
Others

>  <Form> (357)
free base

>  <CAS> (357)
16830-15-2

>  <URL> (357)
http://www.selleckchem.com/products/asiaticoside.html

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (358)
358

>  <Formula> (358)
C37H40N2O6

>  <MolWeight> (358)
608.7233

>  <Cat> (358)
S3611

>  <Name> (358)
(+)-Fangchinoline

>  <Synonyms> (358)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (358)
Others

>  <Form> (358)
free base

>  <CAS> (358)
436-77-1

>  <URL> (358)
http://www.selleckchem.com/products/s-s-fangchinoline.html

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/10202016042D

 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
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M  END
>  <Mol_ID> (359)
359

>  <Formula> (359)
C15H18O2

>  <MolWeight> (359)
230.30222

>  <Cat> (359)
S3615

>  <Name> (359)
Dehydrocostus Lactone

>  <Synonyms> (359)
N/A

>  <Target> (359)
 IKK¦Â

>  <Form> (359)
free base

>  <CAS> (359)
477-43-0

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

$$$$
S3626 Sesamol.cdx
csChFnd80/10202016042D

 10 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (360)
360

>  <Formula> (360)
C7H6O3

>  <MolWeight> (360)
138.12074

>  <Cat> (360)
S3626

>  <Name> (360)
Sesamol

>  <Synonyms> (360)
1,3-Benzodioxol-5-ol, 3,4-Methylenedioxyphenol

>  <Target> (360)
Others

>  <Form> (360)
free base

>  <CAS> (360)
533-31-3

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

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/10202016042D

 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> (361)
361

>  <Formula> (361)
C11H8O3

>  <MolWeight> (361)
188.17942

>  <Cat> (361)
S3661

>  <Name> (361)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (361)
N/A

>  <Target> (361)
PKC

>  <Form> (361)
free base

>  <CAS> (361)
2348-82-5

>  <URL> (361)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3648 Amlexanox.cdx
csChFnd80/10202016042D

 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> (362)
362

>  <Formula> (362)
C16H14N2O4

>  <MolWeight> (362)
298.29336

>  <Cat> (362)
S3648

>  <Name> (362)
Amlexanox

>  <Synonyms> (362)
AA-673, CHX-3673

>  <Target> (362)
TBK1,IKK-¦Å

>  <Form> (362)
free base

>  <CAS> (362)
68302-57-8

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

$$$$
S3666 Ilaprazole.cdx
csChFnd80/10202016042D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.8497    1.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492    3.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    1.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1813    1.2906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1806    3.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6366    3.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4248    1.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0038    2.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243    3.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4038    2.4240    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   10.1042    1.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1034    3.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2038    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2046    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6038    2.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5034    3.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6046    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042    1.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3034    3.6380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7034    3.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2159    3.8193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0691    5.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6996    5.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9371    3.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (363)
363

>  <Formula> (363)
C19H18N4O2S

>  <MolWeight> (363)
366.43682

>  <Cat> (363)
S3666

>  <Name> (363)
Ilaprazole

>  <Synonyms> (363)
IY-81149

>  <Target> (363)
Proton pump,TOPK 

>  <Form> (363)
free base

>  <CAS> (363)
172152-36-2

>  <URL> (363)
http://www.selleckchem.com/products/ilaprazole.html

$$$$
S3939 4'-Methoxyresveratrol.cdx
csChFnd80/10202016042D

 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> (364)
364

>  <Formula> (364)
C15H14O3

>  <MolWeight> (364)
242.26986

>  <Cat> (364)
S3939

>  <Name> (364)
4'-Methoxyresveratrol

>  <Synonyms> (364)
N/A

>  <Target> (364)
Others

>  <Form> (364)
free base

>  <CAS> (364)
33626-08-3

>  <URL> (364)
http://www.selleckchem.com/products/4-methoxyresveratrol.html

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/10202016042D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.6900    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    7.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2652    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0527    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    2.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    2.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    0.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    4.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1149    7.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    8.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (365)
365

>  <Formula> (365)
C16H16O4

>  <MolWeight> (365)
272.29584

>  <Cat> (365)
S3940

>  <Name> (365)
3'-Hydroxypterostilbene

>  <Synonyms> (365)
3'-HPT

>  <Target> (365)
Others

>  <Form> (365)
free base

>  <CAS> (365)
475231-21-1

>  <URL> (365)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/10202016042D

 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> (366)
366

>  <Formula> (366)
C6H13NO4

>  <MolWeight> (366)
163.17172

>  <Cat> (366)
S3839

>  <Name> (366)
1-Deoxynojirimycin

>  <Synonyms> (366)
duvoglustat, moranolin

>  <Target> (366)
¦Á-glucosidase

>  <Form> (366)
free base

>  <CAS> (366)
19130-96-2

>  <URL> (366)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/10202016042D

 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> (367)
367

>  <Formula> (367)
C13H13ClN2O

>  <MolWeight> (367)
248.70812

>  <Cat> (367)
S3817

>  <Name> (367)
Harmine hydrochloride

>  <Synonyms> (367)
telepathine hydrochloride

>  <Target> (367)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (367)
hydrochloride

>  <CAS> (367)
343-27-1

>  <URL> (367)
http://www.selleckchem.com/products/harmine-hydrochloride.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/10202016042D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2615    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6430    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4575    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8657    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2615    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2136    2.8157    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 10  1  0  0  0  0
  4  9  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
  9  2  2  0  0  0  0
  8 10  1  1  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 18  3  2  0  0  0  0
 19 12  2  0  0  0  0
 20 15  2  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
  7 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (368)
368

>  <Formula> (368)
C19H20O5

>  <MolWeight> (368)
328.3591

>  <Cat> (368)
S3819

>  <Name> (368)
Decursinol angelate

>  <Synonyms> (368)
N/A

>  <Target> (368)
PKC

>  <Form> (368)
free base

>  <CAS> (368)
130848-06-5

>  <URL> (368)
http://www.selleckchem.com/products/decursinol-angelate.html

$$$$
S3824 Quercitrin.cdx
csChFnd80/10202016042D

 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
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   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> (369)
369

>  <Formula> (369)
C21H20O11

>  <MolWeight> (369)
448.3769

>  <Cat> (369)
S3824

>  <Name> (369)
Quercitrin

>  <Synonyms> (369)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (369)
Others

>  <Form> (369)
free base

>  <CAS> (369)
522-12-3

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

$$$$
S3836 6-Gingerol.cdx
csChFnd80/10202016042D

 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
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   10.9162    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1287    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3411    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5535    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7660    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  9 10  1  0  0  0  0
  3 11  2  0  0  0  0
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 14 15  1  0  0  0  0
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 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> (370)
370

>  <Formula> (370)
C17H26O4

>  <MolWeight> (370)
294.38594

>  <Cat> (370)
S3836

>  <Name> (370)
6-Gingerol

>  <Synonyms> (370)
CI-1011

>  <Target> (370)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (370)
free base

>  <CAS> (370)
23513-14-6

>  <URL> (370)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/10202016042D

 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
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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
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 22 11  1  0  0  0  0
 15 12  1  0  0  0  0
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 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> (371)
371

>  <Formula> (371)
C19H17NaO6S

>  <MolWeight> (371)
396.38945

>  <Cat> (371)
S3766

>  <Name> (371)
Tanshinone IIA sulfonate (sodium)

>  <Synonyms> (371)
N/A

>  <Target> (371)
CYP3A4

>  <Form> (371)
sodium salt

>  <CAS> (371)
69659-80-9

>  <URL> (371)
http://www.selleckchem.com/products/tanshinone-iia-sulfonate-sodium.html

$$$$
S3759 Norcantharidin.cdx
csChFnd80/10202016042D

 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
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    0.0000    3.5026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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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
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
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 10 11  2  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (372)
372

>  <Formula> (372)
C8H8O4

>  <MolWeight> (372)
168.14672

>  <Cat> (372)
S3759

>  <Name> (372)
Norcantharidin

>  <Synonyms> (372)
Endothall anhydride

>  <Target> (372)
c-Met,EGFR

>  <Form> (372)
free base

>  <CAS> (372)
29745-04-8

>  <URL> (372)
http://www.selleckchem.com/products/norcantharidin.html

$$$$
S3783 Echinacoside.cdx
csChFnd80/10202016042D

 55 59  0  0  0  0  0  0  0  0999 V2000
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 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
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 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
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 53 55  1  0  0  0  0
M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C35H46O20

>  <MolWeight> (373)
786.72774

>  <Cat> (373)
S3783

>  <Name> (373)
Echinacoside

>  <Synonyms> (373)
N/A

>  <Target> (373)
Others

>  <Form> (373)
free base

>  <CAS> (373)
82854-37-3

>  <URL> (373)
http://www.selleckchem.com/products/echinacoside.html

$$$$
S3784 Obacunone.cdx
csChFnd80/10202016042D

 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
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  8 17  2  0  0  0  0
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 10 13  1  0  0  0  0
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 14 19  1  0  0  0  0
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M  END
>  <Mol_ID> (374)
374

>  <Formula> (374)
C26H30O7

>  <MolWeight> (374)
454.5122

>  <Cat> (374)
S3784

>  <Name> (374)
Obacunone

>  <Synonyms> (374)
N/A

>  <Target> (374)
Nrf2,Aromatase

>  <Form> (374)
free base

>  <CAS> (374)
751-03-1

>  <URL> (374)
http://www.selleckchem.com/products/obacunone.html

$$$$
S3786 Glabridin.cdx
csChFnd80/10202016042D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    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
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 10 14  1  0  0  0  0
 12 14  1  0  0  0  0
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M  END
>  <Mol_ID> (375)
375

>  <Formula> (375)
C20H20O4

>  <MolWeight> (375)
324.3704

>  <Cat> (375)
S3786

>  <Name> (375)
Glabridin

>  <Synonyms> (375)
Q-100692, KB-289522, LS-176045

>  <Target> (375)
PPAR¦Ã,¦Á1¦Â2¦Ã2,¦Á1¦Â3¦Ã2,¦Á1¦Â2,¦Á1¦Â1¦Ã2

>  <Form> (375)
free base

>  <CAS> (375)
59870-68-7

>  <URL> (375)
http://www.selleckchem.com/products/glabridin.html

$$$$
S3918 4',7-Dimethoxy-5-Hydroxyflavone.cdx
csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (376)
376

>  <Formula> (376)
C17H14O5

>  <MolWeight> (376)
298.29006

>  <Cat> (376)
S3918

>  <Name> (376)
4',7-Dimethoxy-5-Hydroxyflavone

>  <Synonyms> (376)
apigenin dimethylether; apigenin 7,4'-dimethyl ether; genkwanin 4'-methyl ether

>  <Target> (376)
Others

>  <Form> (376)
free base

>  <CAS> (376)
5128-44-9

>  <URL> (376)
http://www.selleckchem.com/products/4-7-dimethoxy-5-hydroxyflavone.html

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/10202016042D

 72 78  0  0  0  0  0  0  0  0999 V2000
    6.0656    3.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6408    3.4994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6415    2.0994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8497   10.2200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0618   10.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3979   11.1373    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
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 15 21  1  6  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
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 47 52  1  0  0  0  0
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 51 55  1  6  0  0  0
 50 56  1  1  0  0  0
 49 57  1  6  0  0  0
 48 46  1  1  0  0  0
 40 46  1  0  0  0  0
 44 58  1  0  0  0  0
 34 40  1  0  0  0  0
 39 59  1  1  0  0  0
 26 60  1  0  0  0  0
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 36 62  1  1  0  0  0
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 28 22  1  6  0  0  0
 13 22  1  0  0  0  0
 14 11  1  1  0  0  0
  2 11  1  0  0  0  0
 35 64  1  1  0  0  0
 40 65  1  1  0  0  0
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 13 71  1  1  0  0  0
  2 72  1  1  0  0  0
M  END
>  <Mol_ID> (377)
377

>  <Formula> (377)
C48H82O18

>  <MolWeight> (377)
947.15388

>  <Cat> (377)
S3811

>  <Name> (377)
Ginsenoside Re

>  <Synonyms> (377)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (377)
Others

>  <Form> (377)
free base

>  <CAS> (377)
52286-59-6

>  <URL> (377)
http://www.selleckchem.com/products/ginsenoside-re.html

$$$$
S3881 Scopoletin.cdx
csChFnd80/10202016042D

 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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    2.4309    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  5  9  2  0  0  0  0
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  8 10  1  0  0  0  0
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 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (378)
378

>  <Formula> (378)
C10H8O4

>  <MolWeight> (378)
192.16812

>  <Cat> (378)
S3881

>  <Name> (378)
Scopoletin

>  <Synonyms> (378)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (378)
Immunology & Inflammation related

>  <Form> (378)
free base

>  <CAS> (378)
92-61-5

>  <URL> (378)
http://www.selleckchem.com/products/scopoletin.html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/10202016042D

 58 65  0  0  0  0  0  0  0  0999 V2000
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   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
    1.2124    7.0378    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4161    4.9429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4197    9.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    0.0000    9.1319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9732    7.6164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7260   12.3908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2132    6.3492    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
  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
 14 22  1  1  0  0  0
 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
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 26 32  1  0  0  0  0
 26 33  1  6  0  0  0
 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 30 37  1  0  0  0  0
 31 38  1  0  0  0  0
 32 39  1  0  0  0  0
 34 40  1  0  0  0  0
 34 41  1  1  0  0  0
 35 42  1  1  0  0  0
 35 40  1  0  0  0  0
 36 43  1  0  0  0  0
 36 44  1  6  0  0  0
 37 45  1  0  0  0  0
 38 46  1  1  0  0  0
 38 39  1  0  0  0  0
 40 47  1  6  0  0  0
 41 48  1  0  0  0  0
 43 49  1  0  0  0  0
 43 50  1  1  0  0  0
 45 49  1  0  0  0  0
 46 51  1  0  0  0  0
 46 52  1  0  0  0  0
 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> (379)
379

>  <Formula> (379)
C41H68O14

>  <MolWeight> (379)
784.97022

>  <Cat> (379)
S3901

>  <Name> (379)
Astragaloside IV

>  <Synonyms> (379)
AST-IV, AS-IV

>  <Target> (379)
Others

>  <Form> (379)
free base

>  <CAS> (379)
84687-43-4

>  <URL> (379)
http://www.selleckchem.com/products/sastragaloside-iv.html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/10202016042D

 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> (380)
380

>  <Formula> (380)
C20H24O11

>  <MolWeight> (380)
440.39796

>  <Cat> (380)
S3781

>  <Name> (380)
Ginkgolide C

>  <Synonyms> (380)
BN-52022

>  <Target> (380)
Others

>  <Form> (380)
free base

>  <CAS> (380)
15291-76-6

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

$$$$
S3799 Gentisic acid.cdx
csChFnd80/10202016042D

 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> (381)
381

>  <Formula> (381)
C7H6O4

>  <MolWeight> (381)
154.12014

>  <Cat> (381)
S3799

>  <Name> (381)
Gentisic acid

>  <Synonyms> (381)
 DHB; 2,5-dihydroxybenzoic acid; 5-Hydroxysalicylic acid; Gentianic acid; Carboxyhydroquinone

>  <Target> (381)
Immunology & Inflammation related

>  <Form> (381)
free base

>  <CAS> (381)
490-79-9

>  <URL> (381)
http://www.selleckchem.com/products/gentisic-acid.html

$$$$
S3926 Forsythin.cdx
csChFnd80/10202016042D

 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> (382)
382

>  <Formula> (382)
C27H34O11

>  <MolWeight> (382)
534.55226

>  <Cat> (382)
S3926

>  <Name> (382)
Forsythin

>  <Synonyms> (382)
Phillyrin

>  <Target> (382)
Others

>  <Form> (382)
free base

>  <CAS> (382)
487-41-2

>  <URL> (382)
http://www.selleckchem.com/products/forsythin.html

$$$$
LY2109761.cdx
csChFnd80/10202016042D

 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
    6.6026    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <URL> (384)
http://www.selleckchem.com/products/incb28060.html

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42521-82-4

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https://www.selleckchem.com/products/ipa-3.html

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>  <Mol_ID> (396)
396

>  <Formula> (396)
C28H36ClN5O3S

>  <MolWeight> (396)
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>  <Cat> (396)
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>  <Name> (396)
Ceritinib (LDK378)

>  <Synonyms> (396)
N/A

>  <Target> (396)
ALK

>  <Form> (396)
Free Base

>  <CAS> (396)
1032900-25-6

>  <URL> (396)
http://www.selleckchem.com/products/ldk378.html

$$$$
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>  <Mol_ID> (397)
397

>  <Formula> (397)
C28H36F2N8O3S

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>  <Cat> (397)
S7158

>  <Name> (397)
abemaciclib (LY2835219)

>  <Synonyms> (397)
N/A

>  <Target> (397)
CDK

>  <Form> (397)
Mesylate

>  <CAS> (397)
1231930-82-7

>  <URL> (397)
http://www.selleckchem.com/products/ly2835219.html

$$$$
NU6027.cdx
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>  <Mol_ID> (398)
398

>  <Formula> (398)
C11H17N5O2

>  <MolWeight> (398)
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NU6027

>  <Synonyms> (398)
N/A

>  <Target> (398)
CDK

>  <Form> (398)
Free Base

>  <CAS> (398)
220036-08-8

>  <URL> (398)
http://www.selleckchem.com/products/nu6027.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (399)
399

>  <Formula> (399)
C18H32ClN3O8P2

>  <MolWeight> (399)
515.862502

>  <Cat> (399)
S4157

>  <Name> (399)
Chloroquine Phosphate

>  <Synonyms> (399)
N/A

>  <Target> (399)
Others

>  <Form> (399)
Diphosphate

>  <CAS> (399)
50-63-5

>  <URL> (399)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
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1375465-09-0

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http://www.selleckchem.com/products/cnx-2006.html

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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> (401)
http://www.selleckchem.com/products/gzd824.html

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1342278-01-6

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ALK

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Free Base

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1356962-20-3

>  <URL> (403)
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M  END
>  <Mol_ID> (404)
404

>  <Formula> (404)
C54H92O23

>  <MolWeight> (404)
1109.29448

>  <Cat> (404)
S3924

>  <Name> (404)
Ginsenoside Rb1

>  <Synonyms> (404)
Gypenoside ¢ó

>  <Target> (404)
Others

>  <Form> (404)
free base

>  <CAS> (404)
41753-43-9

>  <URL> (404)
http://www.selleckchem.com/products/ginsenoside-rb1.html

$$$$
S3868 Harmine.cdx
csChFnd80/10202016042D

 16 18  0  0  0  0  0  0  0  0999 V2000
    6.3186    2.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9463    2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0313    1.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8022    0.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4312    1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4198    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5494    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  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
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M  END
>  <Mol_ID> (405)
405

>  <Formula> (405)
C13H12N2O

>  <MolWeight> (405)
212.24718

>  <Cat> (405)
S3868

>  <Name> (405)
Harmine

>  <Synonyms> (405)
telepathine

>  <Target> (405)
PPAR¦Ã,MAO-A

>  <Form> (405)
free base

>  <CAS> (405)
442-51-3

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

$$$$
S3980 Pyridoxine.cdx
csChFnd80/10202016042D

 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
    2.4207    2.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192    2.0911    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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M  END
>  <Mol_ID> (406)
406

>  <Formula> (406)
C8H11NO3

>  <MolWeight> (406)
169.17784

>  <Cat> (406)
S3980

>  <Name> (406)
Pyridoxine

>  <Synonyms> (406)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (406)
Others

>  <Form> (406)
free base

>  <CAS> (406)
65-23-6

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

$$$$
S4990 TBHQ.cdx
csChFnd80/10202016042D

 12 12  0  0  0  0  0  0  0  0999 V2000
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    2.4255    1.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8208    3.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (407)
407

>  <Formula> (407)
C10H14O2

>  <MolWeight> (407)
166.21696

>  <Cat> (407)
S4990

>  <Name> (407)
TBHQ

>  <Synonyms> (407)
Tert-butylhydroquinone

>  <Target> (407)
Nrf2

>  <Form> (407)
free base

>  <CAS> (407)
1948-33-0

>  <URL> (407)
http://selleckchem.com/products/tbhq.html

$$$$
S4953 Usnic acid.cdx
csChFnd80/10202016042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    3.6216    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0222    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6216    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 20  2  0  0  0  0
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 18 24  1  0  0  0  0
 18 25  2  0  0  0  0
M  END
>  <Mol_ID> (408)
408

>  <Formula> (408)
C18H16O7

>  <MolWeight> (408)
344.31544

>  <Cat> (408)
S4953

>  <Name> (408)
Usnic acid

>  <Synonyms> (408)
Usniacin

>  <Target> (408)
Others

>  <Form> (408)
free base

>  <CAS> (408)
125-46-2

>  <URL> (408)
http://selleckchem.com/products/usnic-acid.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (409)
409

>  <Formula> (409)
C32H40O8

>  <MolWeight> (409)
552.6552

>  <Cat> (409)
S3832

>  <Name> (409)
Euphorbiasteroid

>  <Synonyms> (409)
Euphorbia factor L1

>  <Target> (409)
Others

>  <Form> (409)
free base

>  <CAS> (409)
28649-59-4

>  <URL> (409)
http://selleckchem.com/products/euphorbiasteroid.html

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/10202016042D

 16 17  0  0  0  0  0  0  0  0999 V2000
    8.6046    2.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4268    1.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6032    0.2658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2720    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2729    2.0992    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
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  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8 10  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (410)
410

>  <Formula> (410)
C10H13N5O

>  <MolWeight> (410)
219.24312

>  <Cat> (410)
S4884

>  <Name> (410)
Trans-Zeatin

>  <Synonyms> (410)
(E)-Zeatin

>  <Target> (410)
Others

>  <CAS> (410)
1637-39-4

>  <URL> (410)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4959 Skatole.cdx
csChFnd80/10202016042D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4298    2.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7628    2.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5817    1.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    3.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0049    2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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  5 10  2  0  0  0  0
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  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (411)
411

>  <Formula> (411)
C9H9N

>  <MolWeight> (411)
131.17446

>  <Cat> (411)
S4959

>  <Name> (411)
Skatole

>  <Synonyms> (411)
3-methylindole, Scatole

>  <Target> (411)
Anti-infection

>  <CAS> (411)
83-34-1

>  <URL> (411)
http://selleckchem.com/products/skatole.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (412)
412

>  <Formula> (412)
C47H80O18

>  <MolWeight> (412)
933.1273

>  <Cat> (412)
S3785

>  <Name> (412)
Notoginsenoside R1

>  <Synonyms> (412)
Sanchinoside R1

>  <Target> (412)
Others

>  <Form> (412)
free base

>  <CAS> (412)
80418-24-2

>  <URL> (412)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
GW 5074.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (413)
413

>  <Formula> (413)
C15H8Br2INO2

>  <MolWeight> (413)
520.94199

>  <Cat> (413)
S2872

>  <Name> (413)
GW5074

>  <Synonyms> (413)
N/A

>  <Target> (413)
Raf

>  <Form> (413)
free base

>  <CAS> (413)
220904-83-6

>  <URL> (413)
http://selleckchem.com/products/gw5074.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (414)
414

>  <Formula> (414)
C29H36O15

>  <MolWeight> (414)
624.58714

>  <Cat> (414)
S2323

>  <Name> (414)
Methyl-Hesperidin

>  <Form> (414)
free base

>  <CAS> (414)
 11013-97-1

$$$$
SNS-314 Mesylate.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (415)
415

>  <Formula> (415)
C19H19ClN6O4S3

>  <MolWeight> (415)
527.03996

>  <Cat> (415)
S1154

>  <Name> (415)
SNS-314 Mesylate

>  <Synonyms> (415)
N/A

>  <Target> (415)
Aurora Kinase

>  <Form> (415)
Mesylate

>  <CAS> (415)
1146618-41-8

>  <URL> (415)
http://www.selleckchem.com/products/SNS-314.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (416)
416

>  <Formula> (416)
C21H18O12

>  <MolWeight> (416)
462.36042

>  <Cat> (416)
S3810

>  <Name> (416)
Scutellarin

>  <Synonyms> (416)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (416)
Others

>  <Form> (416)
free base

>  <CAS> (416)
27740-01-8

>  <URL> (416)
http://www.selleckchem.com/products/scutellarin.html

$$$$
untitled.cdx
csChFnd80/10202016042D

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 10  5  1  0  0  0  0
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 20 26  1  0  0  0  0
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M  END
>  <Mol_ID> (417)
417

>  <Formula> (417)
C24H25ClFN5O3

>  <MolWeight> (417)
485.9384032

>  <Cat> (417)
S1019

>  <Name> (417)
CI-1033 (Canertinib)

>  <Synonyms> (417)
PD-183805 

>  <Target> (417)
EGFR, HER2

>  <Form> (417)
Free Base

>  <CAS> (417)
267243-28-7

>  <URL> (417)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
csChFnd80/10202016042D

 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> (418)
418

>  <Formula> (418)
C31H42N6O4

>  <MolWeight> (418)
562.70298

>  <Cat> (418)
S1043

>  <Name> (418)
Tandutinib (MLN518)

>  <Synonyms> (418)
CT53518

>  <Target> (418)
Flt

>  <Form> (418)
Free Base

>  <CAS> (418)
387867-13-2

>  <URL> (418)
http://www.selleckchem.com/products/Tandutinib-(MLN518).html

$$$$
untitled.cdx
csChFnd80/10202016042D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   13.3157    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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 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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 17 18  1  0  0  0  0
 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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M  END
>  <Mol_ID> (419)
419

>  <Formula> (419)
C22H24BrFN4O2

>  <MolWeight> (419)
475.3539632

>  <Cat> (419)
S1046

>  <Name> (419)
Vandetanib (ZD6474)

>  <Synonyms> (419)
N/A

>  <Target> (419)
VEGFR

>  <Form> (419)
Free Base

>  <CAS> (419)
443913-73-3

>  <URL> (419)
http://www.selleckchem.com/products/Vandetanib.html

$$$$
untitled.cdx
csChFnd80/10202016042D

 27 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (420)
420

>  <Formula> (420)
C21H46NO4P

>  <MolWeight> (420)
407.568001

>  <Cat> (420)
S3056

>  <Name> (420)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (420)
N/A

>  <Target> (420)
Akt

>  <Form> (420)
Free Base

>  <CAS> (420)
58066-85-6

>  <URL> (420)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
NU7026.cdx
csChFnd80/10202016042D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
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M  END
>  <Mol_ID> (421)
421

>  <Formula> (421)
C17H15NO3

>  <MolWeight> (421)
281.3059

>  <Cat> (421)
S2893

>  <Name> (421)
NU7026

>  <Synonyms> (421)
N/A

>  <Target> (421)
DNA-PK

>  <Form> (421)
Free Base

>  <CAS> (421)
154447-35-5

>  <URL> (421)
http://www.selleckchem.com/products/nu7026.html

$$$$
Vinpocetine.cdx
csChFnd80/10202016042D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (422)
422

>  <Formula> (422)
C22H26N2O2

>  <MolWeight> (422)
350.45404

>  <Cat> (422)
S2110

>  <Name> (422)
Vinpocetine (Cavinton)

>  <Synonyms> (422)
N/A

>  <Target> (422)
Sodium Channel

>  <Form> (422)
Free Base

>  <CAS> (422)
42971-09-5

>  <URL> (422)
http://www.selleckchem.com/products/vinpocetine-cavinton.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (423)
423

>  <Formula> (423)
C11H6F3NO2S

>  <MolWeight> (423)
273.2310496

>  <Cat> (423)
S8005

>  <Name> (423)
SMI-4a

>  <Synonyms> (423)
N/A

>  <Target> (423)
Pim

>  <Form> (423)
Free Base

>  <CAS> (423)
438190-29-5

>  <URL> (423)
http://www.selleckchem.com/products/smi-4a.html

$$$$
VE-821.cdx
csChFnd80/10202016042D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (424)
424

>  <Formula> (424)
C18H16N4O3S

>  <MolWeight> (424)
368.40964

>  <Cat> (424)
S8007

>  <Name> (424)
VE-821

>  <Synonyms> (424)
N/A

>  <Target> (424)
ATM/ATR

>  <Form> (424)
Free Base

>  <CAS> (424)
1232410-49-9

>  <URL> (424)
http://www.selleckchem.com/products/ve-821.html

$$$$
GSK2636771.cdx
csChFnd80/10202016042D

 31 34  0  0  0  0  0  0  0  0999 V2000
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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> (425)
425

>  <Formula> (425)
C22H22F3N3O3

>  <MolWeight> (425)
433.4235896

>  <Cat> (425)
S8002

>  <Name> (425)
GSK2636771

>  <Synonyms> (425)
N/A

>  <Target> (425)
PI3K

>  <Form> (425)
Free Base

>  <CAS> (425)
1372540-25-4

>  <URL> (425)
http://www.selleckchem.com/products/gsk2636771.html

$$$$
PQ 401.cdx
csChFnd80/10202016042D

 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> (426)
426

>  <Formula> (426)
C18H16ClN3O2

>  <MolWeight> (426)
341.79154

>  <Cat> (426)
S8003

>  <Name> (426)
PQ 401

>  <Synonyms> (426)
N/A

>  <Target> (426)
IGF-1R

>  <Form> (426)
Free Base

>  <CAS> (426)
196868-63-0

>  <URL> (426)
http://www.selleckchem.com/products/pq-401.html

$$$$
AG 18.cdx
csChFnd80/10202016042D

 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> (427)
427

>  <Formula> (427)
C10H6N2O2

>  <MolWeight> (427)
186.16684

>  <Cat> (427)
S8009

>  <Name> (427)
AG 18 (Tyrphostin 23)

>  <Synonyms> (427)
RG-50810

>  <Target> (427)
EGFR

>  <Form> (427)
Free Base

>  <CAS> (427)
118409-57-7

>  <URL> (427)
http://www.selleckchem.com/products/ag-18-tyrphostin-23.html

$$$$

csChFnd80/10202016042D

 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> (428)
428

>  <Formula> (428)
C24H22F3N5O5

>  <MolWeight> (428)
517.4571896

>  <Cat> (428)
S8015

>  <Name> (428)
CEP-32496

>  <Synonyms> (428)
N/A

>  <Target> (428)
Raf

>  <Form> (428)
Free Base

>  <CAS> (428)
1188910-76-0

>  <URL> (428)
http://www.selleckchem.com/products/cep-32496.html

$$$$
AP26113.cdx
csChFnd80/10202016042D

 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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>  <Mol_ID> (429)
429

>  <Formula> (429)
C26H34ClN6O2P

>  <MolWeight> (429)
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>  <Name> (429)
AP26113

>  <Synonyms> (429)
N/A

>  <Target> (429)
ALK

>  <Form> (429)
Free Base

>  <CAS> (429)
1197958-12-5

>  <URL> (429)
http://www.selleckchem.com/products/ap26113.html

$$$$
AZD5363.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (430)
430

>  <Formula> (430)
C21H25ClN6O2

>  <MolWeight> (430)
428.9152

>  <Cat> (430)
S8019

>  <Name> (430)
AZD5363

>  <Synonyms> (430)
N/A

>  <Target> (430)
Akt

>  <Form> (430)
Free Base

>  <CAS> (430)
1143532-39-1

>  <URL> (430)
http://www.selleckchem.com/products/azd5363.html

$$$$
AG-1296.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (431)
431

>  <Formula> (431)
C16H14N2O2

>  <MolWeight> (431)
266.29456

>  <Cat> (431)
S8024

>  <Name> (431)
Tyrphostin AG 1296 (AG 1296)

>  <Synonyms> (431)
N/A

>  <Target> (431)
PDGFR

>  <Form> (431)
Free Base

>  <CAS> (431)
146535-11-7

>  <URL> (431)
http://www.selleckchem.com/products/tyrphostin-ag-1296-ag-1296.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/10202016042D

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>  <Mol_ID> (432)
432

>  <Formula> (432)
C18H20N2O4S

>  <MolWeight> (432)
360.4274

>  <Cat> (432)
S8023

>  <Name> (432)
TCS 359

>  <Synonyms> (432)
N/A

>  <Target> (432)
FLT3

>  <Form> (432)
Free Base

>  <CAS> (432)
301305-73-7

>  <URL> (432)
http://www.selleckchem.com/products/tcs-359.html

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/10202016042D

  7  4  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (433)
433

>  <Formula> (433)
FNa2O3P

>  <MolWeight> (433)
143.9499042

>  <Cat> (433)
S4013

>  <Name> (433)
Sodium Monofluorophosphate

>  <Synonyms> (433)
Sodium Fluorophosphate

>  <Target> (433)
Others
phosphatase

>  <Form> (433)
Disodium salt

>  <CAS> (433)
10163-15-2

>  <URL> (433)
http://www.selleckchem.com/products/sodium-monofluorophosphate.html

$$$$
IPI-145.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C22H17ClN6O

>  <MolWeight> (434)
416.86298

>  <Cat> (434)
S7028

>  <Name> (434)
Duvelisib (IPI-145, INK1197)

>  <Synonyms> (434)
N/A

>  <Target> (434)
PI3K

>  <Form> (434)
Free Base

>  <CAS> (434)
1201438-56-3

>  <URL> (434)
http://www.selleckchem.com/products/ipi-145-ink1197.html

$$$$
Necrostatin-1.cdx
csChFnd80/10202016042D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    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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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (435)
435

>  <Formula> (435)
C13H13N3OS

>  <MolWeight> (435)
259.32682

>  <Cat> (435)
S8037

>  <Name> (435)
Necrostatin-1

>  <Synonyms> (435)
N/A

>  <Target> (435)
TNF-alpha

>  <Form> (435)
Free Base

>  <CAS> (435)
4311-88-0

>  <URL> (435)
http://www.selleckchem.com/products/necrostatin-1.html

$$$$
STATTIC.cdx
csChFnd80/10202016042D

 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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    3.6331    0.0000    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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    1.2124    2.7976    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  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> (436)
436

>  <Formula> (436)
C8H5NO4S

>  <MolWeight> (436)
211.1946

>  <Cat> (436)
S7024

>  <Name> (436)
Stattic

>  <Synonyms> (436)
N/A

>  <Target> (436)
STAT

>  <Form> (436)
Free Base

>  <CAS> (436)
19983-44-9

>  <URL> (436)
http://www.selleckchem.com/products/stattic.html

$$$$
GW2580.cdx
csChFnd80/10202016042D

 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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   10.8909    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0991    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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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  5  9  1  0  0  0  0
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 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (437)
437

>  <Formula> (437)
C20H22N4O3

>  <MolWeight> (437)
366.41368

>  <Cat> (437)
S8042

>  <Name> (437)
GW2580

>  <Synonyms> (437)
N/A

>  <Target> (437)
CSF-1R

>  <Form> (437)
Free Base

>  <CAS> (437)
870483-87-7

>  <URL> (437)
http://www.selleckchem.com/products/gw2580.html

$$$$
Butein.cdx
csChFnd80/10202016042D

 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
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   10.9365    2.1002    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
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  3  8  2  0  0  0  0
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  5 10  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (438)
438

>  <Formula> (438)
C15H12O5

>  <MolWeight> (438)
272.25278

>  <Cat> (438)
S8036

>  <Name> (438)
Butein

>  <Synonyms> (438)
N/A

>  <Target> (438)
EGFR

>  <Form> (438)
Free Base

>  <CAS> (438)
487-52-5

>  <URL> (438)
https://www.selleckchem.com/products/butein.html

$$$$
(-)-Blebbistatin.cdx
csChFnd80/10202016042D

 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> (439)
439

>  <Formula> (439)
C18H16N2O2

>  <MolWeight> (439)
292.33184

>  <Cat> (439)
S7099

>  <Name> (439)
(-)-Blebbistatin

>  <Synonyms> (439)
N/A

>  <Target> (439)
ATPase

>  <Form> (439)
Free Base

>  <CAS> (439)
856925-71-8

>  <URL> (439)
https://www.selleckchem.com/products/blebbistatin.html

$$$$
GDC-0349.cdx
csChFnd80/10202016042D

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1207360-89-1

>  <URL> (440)
https://www.selleckchem.com/products/gdc-0349.html

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>  <Target> (441)
ALK 

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761439-42-3

>  <URL> (441)
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489415-96-5

>  <URL> (442)
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>  <Target> (443)
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>  <Form> (443)
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>  <URL> (443)
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$$$$
untitled.cdx
csChFnd80/10202016042D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (444)
444

>  <Formula> (444)
C21H16N6O2S2

>  <MolWeight> (444)
448.52074

>  <Cat> (444)
S1118

>  <Name> (444)
XL147 analogue

>  <Synonyms> (444)
SAR245408

>  <Target> (444)
PI3K 

>  <Form> (444)
Free Base

>  <CAS> (444)
956958-53-5

>  <URL> (444)
http://www.selleckchem.com/products/XL147.html

$$$$
s1023.cdx
csChFnd80/10202016042D

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  3  0  0  0  0
 21 28  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (445)
445

>  <Formula> (445)
C22H24ClN3O4

>  <MolWeight> (445)
429.89666

>  <Cat> (445)
S1023

>  <Name> (445)
Erlotinib(OSI-744)

>  <Synonyms> (445)
(CP358774, NSC 718781) HCl

>  <Target> (445)
EGFR

>  <Form> (445)
Hydrochloride

>  <CAS> (445)
183319-69-9

>  <URL> (445)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/10202016042D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.3676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7875    7.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    8.2003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6701    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    4.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5561    2.7012    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2579    1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9084    2.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9185    4.0535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1938    1.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2708    0.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6231    0.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6130    1.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2507    2.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8984    3.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2843    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2372    3.9529    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.8748    5.3052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5895    3.5906    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  2 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
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 23 16  1  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (446)
446

>  <Formula> (446)
C16H15BrClN5O4S

>  <MolWeight> (446)
488.7434

>  <Cat> (446)
S1205

>  <Name> (446)
PIK-75 

>  <Synonyms> (446)
N/A

>  <Target> (446)
PI3K, DNA-PK

>  <Form> (446)
Hydrochloride

>  <CAS> (446)
372196-77-5

>  <URL> (446)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
S1037.cdx
csChFnd80/10202016042D

 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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    3.6373    1.4000    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 P   0  0  3  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0363    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (447)
447

>  <Formula> (447)
C25H52NO4P

>  <MolWeight> (447)
461.658441

>  <Cat> (447)
S1037

>  <Name> (447)
Perifosine (KRX-0401)

>  <Synonyms> (447)
NSC639966

>  <Target> (447)
Akt

>  <Form> (447)
Free Base

>  <CAS> (447)
157716-52-4

>  <URL> (447)
http://www.selleckchem.com/products/Perifosine.html

$$$$
Ellagic acid.cdx
csChFnd80/10202016042D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (448)
448

>  <Formula> (448)
C14H6O8

>  <MolWeight> (448)
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>  <Cat> (448)
S1327

>  <Name> (448)
Ellagic acid

>  <Synonyms> (448)
N/A

>  <Target> (448)
Topoisomerases

>  <Form> (448)
Free Base

>  <CAS> (448)
476-66-4

>  <URL> (448)
http://www.selleckchem.com/products/Ellagic-acid.html

$$$$
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>  <Mol_ID> (449)
449

>  <Formula> (449)
C18H11N3O2S

>  <MolWeight> (449)
333.36384

>  <Cat> (449)
S1360

>  <Name> (449)
GSK1059615

>  <Synonyms> (449)
N/A

>  <Target> (449)
PI3K, mTOR

>  <Form> (449)
Free Base

>  <CAS> (449)
958852-01-2

>  <URL> (449)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
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>  <Mol_ID> (450)
450

>  <Formula> (450)
C26H37FN6O6S2

>  <MolWeight> (450)
612.7369832

>  <Cat> (450)
S1494

>  <Name> (450)
LY2228820

>  <Synonyms> (450)
N/A

>  <Target> (450)
p38 MAPK

>  <Form> (450)
Dimesylate

>  <CAS> (450)
862507-23-1

>  <URL> (450)
http://www.selleckchem.com/products/LY2228820.html

$$$$
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>  <Mol_ID> (451)
451

>  <Formula> (451)
C23H25ClN8OS

>  <MolWeight> (451)
497.0156

>  <Cat> (451)
S1519

>  <Name> (451)
CCT129202

>  <Synonyms> (451)
N/A

>  <Target> (451)
Aurora Kinase

>  <Form> (451)
Free Base

>  <CAS> (451)
942947-93-5

>  <URL> (451)
http://www.selleckchem.com/products/CCT129202.html

$$$$
Neratinib.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (452)
452

>  <Formula> (452)
C30H29ClN6O3

>  <MolWeight> (452)
557.04266

>  <Cat> (452)
S2150

>  <Name> (452)
Neratinib (HKI-272)

>  <Synonyms> (452)
N/A 

>  <Target> (452)
HER2, EGFR

>  <Form> (452)
Free Base

>  <CAS> (452)
698387-09-6

>  <URL> (452)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

$$$$
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>  <Mol_ID> (453)
453

>  <Formula> (453)
C23H24FN6Na2O9P

>  <MolWeight> (453)
624.4231642

>  <Cat> (453)
S2206

>  <Name> (453)
R935788 (Fostamatinib disodium)

>  <Synonyms> (453)
N/A 

>  <Target> (453)
Syk

>  <Form> (453)
Sodium Salt

>  <CAS> (453)
1025687-58-4

>  <URL> (453)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

$$$$
untitled.cdx
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>  <Mol_ID> (454)
454

>  <Formula> (454)
C19H12F4N4O2

>  <MolWeight> (454)
404.3177928

>  <Cat> (454)
S6005

>  <Name> (454)
VX-702

>  <Synonyms> (454)
N/A

>  <Target> (454)
p38 MAPK 

>  <Form> (454)
Free Base

>  <CAS> (454)
745833-23-2

>  <URL> (454)
http://www.selleckchem.com/products/VX-702.html

$$$$
PK-1587.cdx
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M  END
>  <Mol_ID> (455)
455

>  <Formula> (455)
C32H41N9O4

>  <MolWeight> (455)
615.72584

>  <Cat> (455)
S2628

>  <Name> (455)
PF-05212384 (PKI-587)

>  <Synonyms> (455)
N/A 

>  <Target> (455)
mTOR, PI3K

>  <Form> (455)
Free Base

>  <CAS> (455)
1197160-78-3

>  <URL> (455)
http://www.selleckchem.com/products/pki587.html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (456)
456

>  <Formula> (456)
C25H19NO3S

>  <MolWeight> (456)
413.48826

>  <Cat> (456)
S2638

>  <Name> (456)
NU7441(KU-57788)

>  <Synonyms> (456)
N/A 

>  <Target> (456)
DNA-PK, PI3K

>  <Form> (456)
Free Base

>  <CAS> (456)
503468-95-9 

>  <URL> (456)
http://www.selleckchem.com/products/nu7441.html

$$$$
SCH 900776.cdx
csChFnd80/10202016042D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (457)
457

>  <Formula> (457)
C15H18BrN7

>  <MolWeight> (457)
376.25432

>  <Cat> (457)
S2735

>  <Name> (457)
MK-8776 (SCH 900776)

>  <Synonyms> (457)
N/A

>  <Target> (457)
CHK

>  <Form> (457)
Free Base

>  <CAS> (457)
891494-63-6

>  <URL> (457)
http://www.selleckchem.com/products/sch-900776.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/10202016042D

 36 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (458)
458

>  <Formula> (458)
C23H14Na2O11

>  <MolWeight> (458)
512.3302

>  <Cat> (458)
S1911

>  <Name> (458)
Disodium Cromoglycate

>  <Synonyms> (458)
Gynazole

>  <Target> (458)
Calcium Channel

>  <Form> (458)
Disodium Salt

>  <CAS> (458)
15826-37-6

>  <URL> (458)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

$$$$
CCT137690.cdx
csChFnd80/10202016042D

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1095382-05-0

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http://www.selleckchem.com/products/cct137690.html

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418805-02-4

>  <URL> (460)
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Akt

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Free Base

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305834-79-1

>  <URL> (461)
http://www.selleckchem.com/products/sc79.html

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EGFR

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1421373-98-9

>  <URL> (463)
http://www.selleckchem.com/products/az5104.html

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>  <CAS> (464)
1234480-84-2

>  <URL> (464)
http://www.selleckchem.com/products/lrrk2-in-1.html

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>  <MolWeight> (465)
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>  <Synonyms> (465)
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>  <Target> (465)
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>  <Form> (465)
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>  <CAS> (465)
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>  <URL> (465)
http://www.selleckchem.com/products/nps-1034.html

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KN-93 Phosphate

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CaMK

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Free Base

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1188890-41-6

>  <URL> (466)
http://www.selleckchem.com/products/kn-93-phosphate.html

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467

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C16H14FIN4O3

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GDC-0623

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G-868

>  <Target> (467)
MEK

>  <Form> (467)
Free Base

>  <CAS> (467)
1168091-68-6

>  <URL> (467)
http://www.selleckchem.com/products/gdc-0623.html

$$$$
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468

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PF-4989216

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N/A

>  <Target> (468)
PI3K

>  <Form> (468)
Free Base

>  <CAS> (468)
1276553-09-3

>  <URL> (468)
http://www.selleckchem.com/products/pf-4989216.html

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>  <Mol_ID> (469)
469

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C24H25F2N3O4

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AZD8186

>  <Synonyms> (469)
N/A

>  <Target> (469)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (469)
Free Base

>  <CAS> (469)
1627494-13-6

>  <URL> (469)
http://www.selleckchem.com/products/azd8186.html

$$$$
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Dibutyryl-cAMP (Bucladesine)

>  <Synonyms> (470)
dbcAMP

>  <Target> (470)
PKA

>  <Form> (470)
sodium salt

>  <CAS> (470)
16980-89-5

>  <URL> (470)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

$$$$
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PKA

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sodium salt

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76939-46-3

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http://www.selleckchem.com/products/8-bromo-camp.html

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FGFR

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Free Base

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1538604-68-0

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http://www.selleckchem.com/products/blu9931.html

$$$$
TP-0903.cdx
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http://www.selleckchem.com/products/tp-0903.html

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1226895-15-3

>  <URL> (474)
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$$$$
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M  END
>  <Mol_ID> (475)
475

>  <Formula> (475)
C5H6Na2O5

>  <MolWeight> (475)
192.07768

>  <Cat> (475)
S7873

>  <Name> (475)
Disodium (R)-2-Hydroxyglutarate

>  <Synonyms> (475)
N/A

>  <Target> (475)
Others

>  <Form> (475)
disodium salt

>  <CAS> (475)
103404-90-6

>  <URL> (475)
http://www.selleckchem.com/products/disodium-r-2-hydroxyglutarate.html

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (476)
476

>  <Formula> (476)
C26H44NNaO6S

>  <MolWeight> (476)
521.68543

>  <Cat> (476)
S7896

>  <Name> (476)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (476)
N/A

>  <Target> (476)
Antifection

>  <Form> (476)
sodium salt

>  <CAS> (476)
35807-85-3

>  <URL> (476)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/10202016042D

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>  <Mol_ID> (477)
477

>  <Formula> (477)
C24H28N8O2

>  <MolWeight> (477)
460.53152

>  <Cat> (477)
S7103

>  <Name> (477)
GDC-0032

>  <Synonyms> (477)
RG7604

>  <Target> (477)
PI3K

>  <Form> (477)
Free Base

>  <CAS> (477)
1282512-48-4

>  <URL> (477)
http://www.selleckchem.com/products/gdc-0032.html

$$$$
ONO-4059.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (478)
478

>  <Formula> (478)
C25H24N6O3

>  <MolWeight> (478)
456.49646

>  <Cat> (478)
S7877

>  <Name> (478)
ONO-4059

>  <Synonyms> (478)
ONO-WG-307

>  <Target> (478)
BTK

>  <Form> (478)
Free Base

>  <CAS> (478)
1351635-67-0

>  <URL> (478)
http://www.selleckchem.com/products/ono-4059.html

$$$$
SBI-0206965.cdx
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Free Base

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1449685-96-4

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http://www.selleckchem.com/products/ddr1-in-1.html

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VEGFR

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Free Base

>  <CAS> (484)
215543-92-3

>  <URL> (484)
http://www.selleckchem.com/products/su5402.html

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UNC-2025

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N/A

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TAM Receptor

>  <Form> (485)
hydrochloride salt

>  <CAS> (485)
1429881-91-3

>  <URL> (485)
http://www.selleckchem.com/products/unc-2025.html

$$$$
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N/A

>  <Target> (486)
Akt

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Free Base

>  <CAS> (486)
1616632-77-9

>  <URL> (486)
http://www.selleck.cn/products/tic-10.html

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667463-85-6

>  <URL> (488)
http://www.selleck.cn/products/bio-acetoxime.html

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1608125-21-8

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    7.2746    4.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1732    8.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  2  0  0  0  0
  3 16  1  0  0  0  0
  1 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
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M  END
>  <Mol_ID> (491)
491

>  <Formula> (491)
C20H22ClN7O

>  <MolWeight> (491)
411.88798

>  <Cat> (491)
S8666

>  <Name> (491)
BAY 1895344

>  <Synonyms> (491)
N/A

>  <Target> (491)
ATR

>  <Form> (491)
hydrochloride

>  <CAS> (491)
1876467-74-1(free base)

>  <URL> (491)
http://www.selleckchem.com/products/bay-1895344.html

$$$$
S5119 Olivetol.cdx
csChFnd80/10202016042D

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0401    3.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    2.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2616    4.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8277    4.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4748    3.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6141    3.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4749    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6872    4.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4204    4.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1802    3.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (492)
492

>  <Formula> (492)
C11H16O2

>  <MolWeight> (492)
180.24354

>  <Cat> (492)
S5119

>  <Name> (492)
Olivetol

>  <Synonyms> (492)
5-Pentylresorcinol, 5-n-Amylresorcinol

>  <Target> (492)
CB1,CB2,CYP1A1,CYP2C19

>  <Form> (492)
free base

>  <CAS> (492)
500-66-3

>  <URL> (492)
http://www.selleckchem.com/products/olivetol.html

$$$$
S3753 L-Leucine.cdx
csChFnd80/10202016042D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.6380    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4243    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (493)
493

>  <Formula> (493)
C6H13NO2

>  <MolWeight> (493)
131.17292

>  <Cat> (493)
S3753

>  <Name> (493)
L-Leucine

>  <Synonyms> (493)
(S)-Leucine, Leu

>  <Target> (493)
Others

>  <Form> (493)
free base

>  <CAS> (493)
61-90-5

>  <URL> (493)
http://www.selleckchem.com/products/l-leucine.html

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/10202016042D

 26 30  0  0  0  0  0  0  0  0999 V2000
    3.4240    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1803    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0032    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1803    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6249    4.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9761    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9129    3.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2823    3.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7149    4.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7781    5.7721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4087    5.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9939    5.3011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8475    6.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4781    6.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.4810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1325    5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
 16 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 10 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 10  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (494)
494

>  <Formula> (494)
C17H15N9

>  <MolWeight> (494)
345.3613

>  <Cat> (494)
S7674

>  <Name> (494)
Savolitinib(AZD6094, HMPL-504)

>  <Synonyms> (494)
Volitinib

>  <Target> (494)
MET

>  <Form> (494)
free base

>  <CAS> (494)
1313725-88-0

>  <URL> (494)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
S3801 Sodium Houttuyfonate.cdx
csChFnd80/10202016042D

 21 19  0  0  0  0  0  0  0  0999 V2000
   14.5492    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8865    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4865    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.9124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6496    1.9007    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (495)
495

>  <Formula> (495)
C14H27NaO5S

>  <MolWeight> (495)
330.41595

>  <Cat> (495)
S3801

>  <Name> (495)
Sodium Houttuyfonate

>  <Synonyms> (495)
N/A

>  <Target> (495)
Antifection

>  <Form> (495)
sodium salt

>  <CAS> (495)
1847-58-1

>  <URL> (495)
http://www.selleckchem.com/products/sodium-houttuyfonate.html

$$$$
S3813 Bakuchiol.cdx
csChFnd80/10202016042D

 19 19  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4795    2.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    2.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042    2.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    2.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1391    4.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3289    2.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2821    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  1  0  0  0
  1 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (496)
496

>  <Formula> (496)
C18H24O

>  <MolWeight> (496)
256.38256

>  <Cat> (496)
S3813

>  <Name> (496)
Bakuchiol

>  <Synonyms> (496)
(S)-(+)-Bakuchiol

>  <Target> (496)
Immunology & Inflammation related

>  <Form> (496)
free base

>  <CAS> (496)
10309-37-2

>  <URL> (496)
http://www.selleckchem.com/products/bakuchiol.html

$$$$
AZD1080.cdx
csChFnd80/10202016042D

 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
    2.4207    7.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770    7.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999    8.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770    9.4945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3951    8.3619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6081    5.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6714    4.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1040    3.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4734    3.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4102    4.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9775    5.6114    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9045    1.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2692    1.6226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7018    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0712    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (497)
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>  <Formula> (497)
C19H18N4O2

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S7145

>  <Name> (497)
AZD1080

>  <Synonyms> (497)
N/A

>  <Target> (497)
GSK-3

>  <Form> (497)
Free Base

>  <CAS> (497)
612487-72-6

>  <URL> (497)
http://www.selleckchem.com/products/azd1080.html

$$$$
SKI II (SphK-I2).cdx
csChFnd80/10202016042D

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498

>  <Formula> (498)
C15H11ClN2OS

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302.77864

>  <Cat> (498)
S7176

>  <Name> (498)
SKI II

>  <Synonyms> (498)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (498)
S1P Receptor

>  <Form> (498)
Free Base

>  <CAS> (498)
312636-16-1

>  <URL> (498)
http://www.selleckchem.com/products/ski-ii.html

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/10202016042D

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>  <Mol_ID> (499)
499

>  <Formula> (499)
C17H15BrF2N4O3

>  <MolWeight> (499)
441.2268064

>  <Cat> (499)
S7007

>  <Name> (499)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (499)
N/A

>  <Target> (499)
MEK

>  <Form> (499)
Free Base

>  <CAS> (499)
606143-89-9

>  <URL> (499)
http://www.selleckchem.com/products/mek162.html

$$$$
GSK2334470.cdx
csChFnd80/10202016042D

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500

>  <Formula> (500)
C25H34N8O

>  <MolWeight> (500)
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>  <Cat> (500)
S7087

>  <Name> (500)
GSK2334470

>  <Synonyms> (500)
N/A

>  <Target> (500)
PDK-1

>  <Form> (500)
Free Base

>  <CAS> (500)
1227911-45-6

>  <URL> (500)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (501)
501

>  <Formula> (501)
C24H26N4O

>  <MolWeight> (501)
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>  <Cat> (501)
S7127

>  <Name> (501)
TIC10 analogue

>  <Synonyms> (501)
TRAIL-inducing Compound 10

>  <Target> (501)
Akt

>  <Form> (501)
Free Base

>  <CAS> (501)
41276-02-2

>  <URL> (501)
http://www.selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/10202016042D

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667463-62-9

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

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446859-33-2

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486424-20-8

>  <URL> (504)
http://www.selleckchem.com/products/azd2858.html

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ZM 39923 HCl

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N/A

>  <Target> (505)
JAK

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HCl

>  <CAS> (505)
1021868-92-7

>  <URL> (505)
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$$$$
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    4.4533    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0533    2.8000    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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 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
 11 16  2  0  0  0  0
 11 17  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
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 17 28  1  0  0  0  0
 10 27  2  0  0  0  0
 24 30  1  0  0  0  0
 15 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (506)
506

>  <Formula> (506)
C26H27N5O5S2

>  <MolWeight> (506)
553.65308

>  <Cat> (506)
S7207

>  <Name> (506)
Ro 31-8220 Mesylate

>  <Synonyms> (506)
Bisindolylmaleimide IX Mesylate

>  <Target> (506)
PKC

>  <Form> (506)
Mesylate

>  <CAS> (506)
138489-18-6

>  <URL> (506)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
Bardoxolone Methyl.cdx
csChFnd80/10202016042D

 40 44  0  0  0  0  0  0  0  0999 V2000
    9.7022    7.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9157    8.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1271    7.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1251    5.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9136    5.2628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9095    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6960    3.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4831    3.8629    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    3.1633    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2691    1.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0556    1.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8443    1.7683    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6308    1.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4189    1.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4164    3.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3302    5.2523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7325    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5260    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8140    9.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    3.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3302    6.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5 22  1  0  0  0  0
  1 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  5 23  1  1  0  0  0
 20 26  2  0  0  0  0
 14 27  2  0  0  0  0
 17 28  1  1  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
 33 34  3  0  0  0  0
 15 33  1  0  0  0  0
 25 35  1  0  0  0  0
  9 36  1  1  0  0  0
  8 37  1  6  0  0  0
 22 38  1  1  0  0  0
 21 39  1  1  0  0  0
 12 40  1  6  0  0  0
M  END
>  <Mol_ID> (507)
507

>  <Formula> (507)
C32H43NO4

>  <MolWeight> (507)
505.68812

>  <Cat> (507)
S8078

>  <Name> (507)
Bardoxolone Methyl

>  <Synonyms> (507)
RTA 402, TP-155, NSC 713200, CDDO Methyl Ester

>  <Target> (507)
I¦ÊB/IKK

>  <Form> (507)
Free Base

>  <CAS> (507)
218600-53-4

>  <URL> (507)
http://www.selleckchem.com/products/bardoxolone-methyl.html

$$$$
CZC24832.cdx
csChFnd80/10202016042D

 25 27  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
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 S   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
    3.1249    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.6000    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
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   11.8539    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2539    3.5000    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
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  2  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
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20  8  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 18  2  0  0  0  0
 20 19  2  0  0  0  0
  8 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (508)
508

>  <Formula> (508)
C15H17FN6O2S

>  <MolWeight> (508)
364.3978832

>  <Cat> (508)
S7018

>  <Name> (508)
CZC24832

>  <Synonyms> (508)
N/A

>  <Target> (508)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (508)
Free Base

>  <CAS> (508)
1159824-67-5

>  <URL> (508)
http://www.selleckchem.com/products/czc24832.html

$$$$
SRPIN340.cdx
csChFnd80/10202016042D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.1876    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (509)
509

>  <Formula> (509)
C18H18F3N3O

>  <MolWeight> (509)
349.3502296

>  <Cat> (509)
S7270

>  <Name> (509)
SRPIN340

>  <Synonyms> (509)
N/A

>  <Target> (509)
Others

>  <Form> (509)
Free Base

>  <CAS> (509)
218156-96-8

>  <URL> (509)
http://www.selleckchem.com/products/srpin340.html

$$$$
ETP-46464.cdx
csChFnd80/10202016042D

 36 41  0  0  0  0  0  0  0  0999 V2000
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mTOR

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1345675-02-6

>  <URL> (510)
http://www.selleckchem.com/products/etp-46464.html

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XL388

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N/A

>  <Target> (511)
mTOR

>  <Form> (511)
Free Base

>  <CAS> (511)
1251156-08-7

>  <URL> (511)
http://www.selleckchem.com/products/xl388.html

$$$$
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512

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C27H28F3N7O3

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>  <Name> (512)
Rociletinib (CO-1686, AVL-301)

>  <Synonyms> (512)
CNX-419, AVL-301

>  <Target> (512)
EGFR

>  <Form> (512)
Free Base

>  <CAS> (512)
1374640-70-6

>  <URL> (512)
http://www.selleckchem.com/products/co-1686.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
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>  <Mol_ID> (513)
513

>  <Formula> (513)
C24H27Cl2N5O

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>  <Cat> (513)
S7306

>  <Name> (513)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (513)
BML-275,Compound C

>  <Target> (513)
AMPK

>  <Form> (513)
Dihydrochloride

>  <CAS> (513)
1219168-18-9

>  <URL> (513)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EHop-016.cdx
csChFnd80/10202016042D

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>  <Target> (515)
p38 MAPK

>  <Form> (515)
Free Base

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1221485-83-1

>  <URL> (515)
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I¦ÊB/IKK

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Free Base

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445430-58-0

>  <URL> (516)
http://www.selleckchem.com/products/bms-345541.html

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945755-56-6

>  <URL> (517)
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1228591-30-7

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522

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CC-292

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BTK

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Free Base

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1202757-89-8

>  <URL> (522)
http://www.selleckchem.com/products/avl-292.html

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AZ191.cdx
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N/A

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DYRK

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Free Base

>  <URL> (523)
http://www.selleckchem.com/products/az191.html

$$$$
Pacritinib (SB1518).cdx
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524

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C28H32N4O3

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472.57868

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S8057

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N/A

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JAK

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Free Base

>  <CAS> (524)
937272-79-2

>  <URL> (524)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
Sorafenib.cdx
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525

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Raf

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Free Base

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284461-73-0

>  <URL> (525)
http://www.selleckchem.com/products/sorafenib.html

$$$$
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526

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C21H21ClF3N7O3S

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S7357

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PF-562271 HCl

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N/A

>  <Target> (526)
FAK

>  <Form> (526)
Hydrochloride

>  <URL> (526)
http://www.selleckchem.com/products/pf-562271-hcl.html

$$$$
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527

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C13H15NO2S

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249.3287

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TG003

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N/A

>  <Target> (527)
CDK

>  <Form> (527)
Free Base

>  <CAS> (527)
300801-52-9

>  <URL> (527)
http://www.selleckchem.com/products/tg003.html

$$$$
WZ4003.cdx
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>  <Mol_ID> (528)
528

>  <Formula> (528)
C25H29ClN6O3

>  <MolWeight> (528)
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>  <Cat> (528)
S7317

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WZ4003

>  <Synonyms> (528)
N/A

>  <Target> (528)
AMPK

>  <Form> (528)
Free Base

>  <CAS> (528)
1214265-58-3

>  <URL> (528)
http://www.selleckchem.com/products/wz4003.html

$$$$
ID-8.cdx
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529

>  <Formula> (529)
C16H14N2O4

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N/A

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DYRK

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>  <CAS> (529)
147591-46-6

>  <URL> (529)
http://www.selleckchem.com/products/id-8.html

$$$$
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>  <Target> (539)
Aurora Kinase

>  <Form> (539)
Free Base

>  <CAS> (539)
885325-71-3

>  <URL> (539)
http://www.selleckchem.com/products/mk-8745.html

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>  <Mol_ID> (540)
540

>  <Formula> (540)
C18H12Cl2N4O4S

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>  <Cat> (540)
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4EGI-1

>  <Synonyms> (540)
N/A

>  <Target> (540)
Others

>  <Form> (540)
Free Base

>  <CAS> (540)
315706-13-9

>  <URL> (540)
http://www.selleckchem.com/products/4egi-1.html

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N/A

>  <Target> (541)
CDK

>  <Form> (541)
Free Base

>  <CAS> (541)
1211441-98-3

>  <URL> (541)
http://www.selleckchem.com/products/lee011.html

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CaMK

>  <Form> (542)
iodide

>  <CAS> (542)
278603-08-0

>  <URL> (542)
http://www.selleckchem.com/products/nh125.html

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Sal003

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N/A

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phosphatase

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Free Base

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1164470-53-4

>  <URL> (543)
http://www.selleckchem.com/products/sal003.html

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LDN193189 HCl

>  <Synonyms> (544)
N/A

>  <Target> (544)
TGF-beta/Smad

>  <Form> (544)
Hydrochloride

>  <CAS> (544)
1062368-62-0

>  <URL> (544)
http://www.selleckchem.com/products/ldn-193189-HCl.html

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SKLB1002

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VEGFR

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Free Base

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1225451-84-2

>  <URL> (545)
http://www.selleckchem.com/products/sklb1002.html

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676596-65-9

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$$$$
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N/A

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PERK

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Free Base

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http://www.selleckchem.com/products/isrib-trans-isomer.html

$$$$
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csChFnd80/10202016042D

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N/A

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Others

>  <Form> (549)
Free Base

>  <CAS> (549)
252017-04-2

>  <URL> (549)
http://www.selleckchem.com/products/azd7545.html

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csChFnd80/10202016042D

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550

>  <Formula> (550)
C19H17N3O3

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>  <Cat> (550)
S7509

>  <Name> (550)
ML167

>  <Synonyms> (550)
CID 44968231

>  <Target> (550)
CDK

>  <Form> (550)
Free Base

>  <CAS> (550)
1285702-20-6

>  <URL> (550)
http://www.selleckchem.com/products/ml167.html

$$$$
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>  <Mol_ID> (551)
551

>  <Formula> (551)
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>  <MolWeight> (551)
352.38864

>  <Cat> (551)
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ML347

>  <Synonyms> (551)
N/A

>  <Target> (551)
TGF-beta/Smad

>  <Form> (551)
Free Base

>  <CAS> (551)
1062368-49-3

>  <URL> (551)
http://www.selleckchem.com/products/ml347.html

$$$$
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M  END
>  <Mol_ID> (552)
552

>  <Formula> (552)
C23H21N7O

>  <MolWeight> (552)
411.45914

>  <Cat> (552)
S7523

>  <Name> (552)
Entospletinib (GS-9973)

>  <Synonyms> (552)
N/A

>  <Target> (552)
Syk

>  <Form> (552)
Free Base

>  <CAS> (552)
1229208-44-9

>  <URL> (552)
http://www.selleckchem.com/products/gs-9973.html

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (553)
553

>  <Formula> (553)
C17H22Cl2N2O3S

>  <MolWeight> (553)
405.33918

>  <Cat> (553)
S7333

>  <Name> (553)
K-Ras(G12C) inhibitor 6

>  <Synonyms> (553)
N/A

>  <Target> (553)
Rho

>  <Form> (553)
Free Base

>  <CAS> (553)
No

>  <URL> (553)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-6.html

$$$$
DMH1.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (554)
554

>  <Formula> (554)
C24H20N4O

>  <MolWeight> (554)
380.4418

>  <Cat> (554)
S7146

>  <Name> (554)
DMH1

>  <Synonyms> (554)
N/A

>  <Target> (554)
TGF-beta/Smad

>  <Form> (554)
Free Base

>  <CAS> (554)
1206711-16-1

>  <URL> (554)
http://www.selleckchem.com/products/dmh1.html

$$$$
LDN-212854.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (555)
555

>  <Formula> (555)
C25H22N6

>  <MolWeight> (555)
406.48238

>  <Cat> (555)
S7147

>  <Name> (555)
LDN-212854

>  <Synonyms> (555)
BMP Inhibitor III

>  <Target> (555)
TGF-beta/Smad

>  <Form> (555)
Free Base

>  <CAS> (555)
1432597-26-6

>  <URL> (555)
http://www.selleckchem.com/products/ldn-212854.html

$$$$
CGP 57380.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (556)
556

>  <Formula> (556)
C11H9FN6

>  <MolWeight> (556)
244.2277632

>  <Cat> (556)
S7421

>  <Name> (556)
CGP 57380

>  <Synonyms> (556)
N/A

>  <Target> (556)
MNK

>  <Form> (556)
Free Base

>  <CAS> (556)
522629-08-9

>  <URL> (556)
http://www.selleckchem.com/products/cgp57380.html

$$$$
LM-3093 AZD9291.cdx
csChFnd80/10202016042D

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HS-173

>  <Synonyms> (562)
N/A

>  <Target> (562)
PI3K

>  <Form> (562)
Free Base

>  <CAS> (562)
1276110-06-5

>  <URL> (562)
http://www.selleckchem.com/products/hs-173.html

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Losmapimod

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GW856553X, GW856553, GSK-AHAB

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p38 MAPK

>  <Form> (563)
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585543-15-3

>  <URL> (563)
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>  <Formula> (564)
C14H16F3N7

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>  <Target> (564)
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>  <URL> (564)
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M  END
>  <Mol_ID> (565)
565

>  <Formula> (565)
C25H33N7O2

>  <MolWeight> (565)
463.57522

>  <Cat> (565)
S7325

>  <Name> (565)
UNC2881

>  <Synonyms> (565)
N/A

>  <Target> (565)
TAM Receptor

>  <Form> (565)
Free Base

>  <CAS> (565)
1493764-08-1

>  <URL> (565)
http://www.selleckchem.com/products/unc2881.html

$$$$
PF-543 .cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (566)
566

>  <Formula> (566)
C27H31NO4S

>  <MolWeight> (566)
465.60434

>  <Cat> (566)
S7177

>  <Name> (566)
PF-543

>  <Synonyms> (566)
N/A

>  <Target> (566)
S1P Receptor

>  <Form> (566)
Free Base

>  <CAS> (566)
1415562-82-1

>  <URL> (566)
http://www.selleckchem.com/products/pf-543.html

$$$$
AZD1208.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (567)
567

>  <Formula> (567)
C21H21N3O2S

>  <MolWeight> (567)
379.47534

>  <Cat> (567)
S7104

>  <Name> (567)
AZD1208

>  <Synonyms> (567)
N/A

>  <Target> (567)
Pim

>  <Form> (567)
Free Base

>  <CAS> (567)
1204144-28-4

>  <URL> (567)
http://www.selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (568)
568

>  <Formula> (568)
C26H25Cl2N3O3

>  <MolWeight> (568)
498.401

>  <Cat> (568)
S7041

>  <Name> (568)
CX-6258 HCl

>  <Synonyms> (568)
N/A

>  <Target> (568)
Pim

>  <Form> (568)
Hydrochloride

>  <CAS> (568)
1353859-00-3

>  <URL> (568)
http://www.selleckchem.com/products/CX-6258.html

$$$$
EHT 1864.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (569)
569

>  <Formula> (569)
C25H29Cl2F3N2O4S

>  <MolWeight> (569)
581.4749696

>  <Cat> (569)
S7482

>  <Name> (569)
EHT 1864 2HCl

>  <Synonyms> (569)
N/A

>  <Target> (569)
Rho

>  <Form> (569)
Dihydrochloride

>  <CAS> (569)
754240-09-0

>  <URL> (569)
http://www.selleckchem.com/products/eht-1864.html

$$$$
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csChFnd80/10202016042D

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>  <Mol_ID> (570)
570

>  <Formula> (570)
C29H28N6O2

>  <MolWeight> (570)
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>  <Cat> (570)
S7067

>  <Name> (570)
Tepotinib (EMD 1214063)

>  <Synonyms> (570)
N/A

>  <Target> (570)
c-Met

>  <Form> (570)
Free Base

>  <CAS> (570)
1100598-32-0

>  <URL> (570)
http://www.selleckchem.com/products/emd-1214063.html

$$$$
LDC000067.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (571)
571

>  <Formula> (571)
C18H18N4O3S

>  <MolWeight> (571)
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>  <Cat> (571)
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>  <Name> (571)
LDC000067

>  <Synonyms> (571)
LDC067

>  <Target> (571)
CDK

>  <Form> (571)
Free Base

>  <CAS> (571)
1073485-20-7

>  <URL> (571)
http://www.selleckchem.com/products/ldc000067.html

$$$$
XMD8-92.cdx
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>  <Mol_ID> (572)
572

>  <Formula> (572)
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>  <MolWeight> (572)
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>  <Cat> (572)
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>  <Name> (572)
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>  <Synonyms> (572)
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>  <Target> (572)
ERK

>  <Form> (572)
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>  <CAS> (572)
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>  <URL> (572)
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M  END
>  <Mol_ID> (576)
576

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C14H13Cl2N3O2

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XL413 (BMS-863233)

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N/A

>  <Target> (576)
CDK

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Free Base

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1169562-71-3

>  <URL> (576)
http://www.selleckchem.com/products/xl413-bms-863233.html

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FR 180204.cdx
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>  <Mol_ID> (577)
577

>  <Formula> (577)
C18H13N7

>  <MolWeight> (577)
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S7524

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FR 180204

>  <Synonyms> (577)
N/A

>  <Target> (577)
ERK

>  <Form> (577)
Free Base

>  <CAS> (577)
865362-74-9

>  <URL> (577)
http://www.selleckchem.com/products/fr180204.html

$$$$
GNE7915.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (578)
578

>  <Formula> (578)
C19H21F4N5O3

>  <MolWeight> (578)
443.3953528

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S7528

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GNE-7915

>  <Synonyms> (578)
N/A

>  <Target> (578)
Others

>  <Form> (578)
Free Base

>  <CAS> (578)
1351761-44-8

>  <URL> (578)
http://www.selleckchem.com/products/gne-7915.html

$$$$
PD173955 .cdx
csChFnd80/10202016042D

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>  <Mol_ID> (579)
579

>  <Formula> (579)
C21H18Cl2N4OS

>  <MolWeight> (579)
445.36482

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S7269

>  <Name> (579)
PD173955

>  <Synonyms> (579)
N/A 

>  <Target> (579)
Bcr-Abl

>  <Form> (579)
Free Base

>  <CAS> (579)
260415-63-2

>  <URL> (579)
http://www.selleckchem.com/products/pd173955.html

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (580)
580

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C16H21ClIN3O4S

>  <MolWeight> (580)
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>  <Cat> (580)
S7332

>  <Name> (580)
K-Ras(G12C) inhibitor 9

>  <Synonyms> (580)
N/A

>  <Target> (580)
Rho

>  <Form> (580)
Free Base

>  <CAS> (580)
1469337-91-4

>  <URL> (580)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

$$$$
Zotarolimus.cdx
csChFnd80/10202016042D

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PTEN

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Free Base

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345630-40-2

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http://www.selleckchem.com/products/sf1670.html

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Free Base

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1129669-05-1

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http://www.selleckchem.com/products/im-12.html

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Rho

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Free Base

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http://www.selleckchem.com/products/6h05.html

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    9.0117   10.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0117   11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7992   12.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2241   12.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4365   11.7866    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2241   13.8866    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4365   13.1866    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2241    9.6866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4365   10.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3744    9.6866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3744    8.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417    7.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6744    6.1323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0744    6.1323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5070    7.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103    7.8964    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8515    4.9996    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4591    5.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6362    4.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057    2.7344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5980    2.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4209    3.7207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8132    3.5743    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828    1.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6018    0.2190    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  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 15 19  1  0  0  0  0
 20 16  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 25 26  1  1  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 27  1  0  0  0  0
M  END
>  <Mol_ID> (588)
588

>  <Formula> (588)
C17H20ClF4N7O

>  <MolWeight> (588)
449.8336128

>  <Cat> (588)
S7368

>  <Name> (588)
GNE-9605

>  <Synonyms> (588)
N/A

>  <Target> (588)
LRRK2

>  <Form> (588)
Free Base

>  <CAS> (588)
1536200-31-3

>  <URL> (588)
http://www.selleckchem.com/products/gne-9605.html

$$$$
filgotinib.cdx
csChFnd80/10202016042D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 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    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
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 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
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    3.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  4 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  5  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 10 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (589)
589

>  <Formula> (589)
C21H23N5O3S

>  <MolWeight> (589)
425.50402

>  <Cat> (589)
S7605

>  <Name> (589)
Filgotinib£¨GLPG0643)

>  <Synonyms> (589)
N/A

>  <Target> (589)
JAK

>  <Form> (589)
Free Base

>  <CAS> (589)
1206161-97-8

>  <URL> (589)
http://www.selleckchem.com/products/filgotinib.html

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/10202016042D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  2 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (590)
590

>  <Formula> (590)
C15H17ClIN3O3

>  <MolWeight> (590)
449.67125

>  <Cat> (590)
S7331

>  <Name> (590)
K-Ras(G12C) inhibitor 12

>  <Synonyms> (590)
N/A

>  <Target> (590)
Rho

>  <Form> (590)
Free Base

>  <CAS> (590)
1469337-95-8

>  <URL> (590)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

$$$$
Anacardic Acid.cdx
csChFnd80/10202016042D

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (591)
591

>  <Formula> (591)
C22H36O3

>  <MolWeight> (591)
348.51944

>  <Cat> (591)
S7582

>  <Name> (591)
Anacardic Acid

>  <Synonyms> (591)
6-pentadecylsalicylic Acid

>  <Target> (591)
Histone Acetyltransferase

>  <Form> (591)
Free Base

>  <CAS> (591)
16611-84-0

>  <URL> (591)
http://www.selleckchem.com/products/anacardic-acid.html

$$$$
GNF5837.cdx
csChFnd80/10202016042D

 39 43  0  0  0  0  0  0  0  0999 V2000
    9.6702    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8826    2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8826    5.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4652    4.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4652    3.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6776    2.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8901    3.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8901    4.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6776    5.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3075    5.4371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3075    2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2216    2.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0445    4.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2216    5.1668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4445    4.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6542    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0236    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1229582-33-5

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1062243-51-9

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196309-76-9

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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> (603)
312917-14-9

>  <URL> (603)
http://www.selleckchem.com/products/jnk-inhibitor-ix.html

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521937-07-5

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ALK

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1454846-35-5

>  <URL> (607)
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>  <Mol_ID> (608)
608

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JNK

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Free Base

>  <CAS> (608)
no

>  <URL> (608)
http://www.selleckchem.com/products/dtp3.html

$$$$
ML141.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (609)
609

>  <Formula> (609)
C22H21N3O3S

>  <MolWeight> (609)
407.48544

>  <Cat> (609)
S7686

>  <Name> (609)
ML141

>  <Synonyms> (609)
CID-2950007

>  <Target> (609)
Rho

>  <Form> (609)
Free Base

>  <CAS> (609)
71203-35-5

>  <URL> (609)
http://www.selleckchem.com/products/ml141.html

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/10202016042D

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>  <Mol_ID> (610)
610

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C22H22O8

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S7668

>  <Name> (610)
Picropodophyllin (PPP)

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AXL1717

>  <Target> (610)
IGF-1R

>  <Form> (610)
Free Base

>  <CAS> (610)
477-47-4

>  <URL> (610)
http://www.selleckchem.com/products/picropodophyllin-ppp.html

$$$$
Reversine.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (611)
611

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C21H27N7O

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393.48538

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S7588

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Reversine

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N/A

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Adenosine Receptor

>  <Form> (611)
Free Base

>  <CAS> (611)
656820-32-5

>  <URL> (611)
http://www.selleckchem.com/products/reversine.html

$$$$
SU 9516.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (612)
612

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C13H11N3O2

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SU9516

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N/A

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CDK

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Free Base

>  <CAS> (612)
377090-84-1

>  <URL> (612)
http://www.selleckchem.com/products/su9516.html

$$$$
Piperlongumine.cdx
csChFnd80/10202016042D

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1056901-62-2

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717906-29-1

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http://www.selleckchem.com/products/pf-431396.html

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1073154-85-4

>  <URL> (617)
http://www.selleckchem.com/products/defactinib.html

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GSK2578215A.cdx
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LRRK2

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Free Base

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1285515-21-0

>  <URL> (618)
http://www.selleckchem.com/products/gsk2578215a.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
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619

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EGFR

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Free Base

>  <CAS> (619)
1092364-38-9

>  <URL> (619)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

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1082949-67-4

>  <URL> (620)
http://www.selleckchem.com/products/ly2584702.html

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M  END
>  <Mol_ID> (621)
621

>  <Formula> (621)
C27H31FN6OS

>  <MolWeight> (621)
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>  <Cat> (621)
S7623

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PI-3065

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N/A

>  <Target> (621)
PI3K

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Free Base

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955977-50-1

>  <URL> (621)
http://www.selleckchem.com/products/pi-3065.html

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (622)
622

>  <Formula> (622)
C24H28Cl2N2O4

>  <MolWeight> (622)
479.39612

>  <Cat> (622)
S7720

>  <Name> (622)
SBE 13 HCl

>  <Synonyms> (622)
N/A

>  <Target> (622)
PLK

>  <Form> (622)
Hydrochloride

>  <CAS> (622)
1052532-15-6

>  <URL> (622)
http://www.selleckchem.com/products/sbe-13-hcl.html

$$$$
Bikinin.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (623)
623

>  <Formula> (623)
C9H9BrN2O3

>  <MolWeight> (623)
273.08336

>  <Cat> (623)
S7722

>  <Name> (623)
Bikinin

>  <Synonyms> (623)
N/A

>  <Target> (623)
GSK-3

>  <Form> (623)
Free Base

>  <CAS> (623)
188011-69-0

>  <URL> (623)
http://www.selleckchem.com/products/bikinin.html

$$$$
Salirasib.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (624)
624

>  <Formula> (624)
C22H30O2S

>  <MolWeight> (624)
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>  <Cat> (624)
S7684

>  <Name> (624)
Salirasib

>  <Synonyms> (624)
N/A

>  <Target> (624)
Rho

>  <Form> (624)
Free Base

>  <CAS> (624)
162520-00-5

>  <URL> (624)
http://www.selleckchem.com/products/salirasib.html

$$$$
SD208.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (625)
625

>  <Formula> (625)
C17H10ClFN6

>  <MolWeight> (625)
352.7529032

>  <Cat> (625)
S7624

>  <Name> (625)
SD-208

>  <Synonyms> (625)
N/A

>  <Target> (625)
TGF-beta/Smad

>  <Form> (625)
Free Base

>  <CAS> (625)
627536-09-8

>  <URL> (625)
http://www.selleckchem.com/products/sd-208.html

$$$$
LFM-A13.cdx
csChFnd80/10202016042D

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>  <Form> (628)
Free Base

>  <CAS> (628)
1082949-68-5

>  <URL> (628)
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no

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915769-50-5

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603288-22-8

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FF284

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FGFR

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Free Base

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1265229-25-1

>  <URL> (633)
http://www.selleckchem.com/products/ch5183284-debio-1347.html

$$$$
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634

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ANA-12

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N/A

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Trk receptor

>  <Form> (634)
Free Base

>  <CAS> (634)
219766-25-3

>  <URL> (634)
http://www.selleckchem.com/products/ana-12.html

$$$$
LM-3573.cdx
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635

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Dasatinib Monohydrate

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BMS-354825 Monohydrate

>  <Target> (635)
Src

>  <Form> (635)
Monohydrate

>  <CAS> (635)
863127-77-9

>  <URL> (635)
http://www.selleckchem.com/products/dasatinib-monohydrate.html

$$$$
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>  <Mol_ID> (636)
636

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C22H27FN4O2

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>  <Name> (636)
Sunitinib

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SU11248

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PDGFR

>  <Form> (636)
Free Base

>  <CAS> (636)
557795-19-4

>  <URL> (636)
http://www.selleckchem.com/products/sunitinib.html

$$$$
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    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  3  0  0  0  0
 21 28  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (637)
637

>  <Formula> (637)
C22H23N3O4

>  <MolWeight> (637)
393.43572

>  <Cat> (637)
S7786

>  <Name> (637)
Erlotinib

>  <Synonyms> (637)
CP358774, NSC 718781

>  <Target> (637)
EGFR

>  <Form> (637)
Free Base

>  <CAS> (637)
183321-74-6

>  <URL> (637)
http://www.selleckchem.com/products/erlotinib.html

$$$$
CL-387785.cdx
csChFnd80/10202016042D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0593    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6966    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6966    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1215    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3339    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3339    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1215    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5463    2.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8469    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    3.5000    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
    7.2717    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4842    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0593    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6966    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  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  4  1  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  3  0  0  0  0
 15 16  1  0  0  0  0
  1 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 21  1  1  0  0  0  0
 18  2  2  0  0  0  0
  2 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
M  END
>  <Mol_ID> (638)
638

>  <Formula> (638)
C18H13BrN4O

>  <MolWeight> (638)
381.22602

>  <Cat> (638)
S7557

>  <Name> (638)
CL-387785 (EKI-785)

>  <Synonyms> (638)
N/A

>  <Target> (638)
EGFR

>  <Form> (638)
Free Base

>  <CAS> (638)
194423-06-8

>  <URL> (638)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/10202016042D

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    5.7084    2.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7084    3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1373    2.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8518    2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8518    3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1373    3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
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 25 26  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
 33 28  1  0  0  0  0
M  END
>  <Mol_ID> (639)
639

>  <Formula> (639)
C24H30ClN7O2

>  <MolWeight> (639)
483.9937

>  <Cat> (639)
S1116

>  <Name> (639)
PD 0332991 (Palbociclib) HCl

>  <Synonyms> (639)
N/A

>  <Target> (639)
CDK

>  <Form> (639)
Hydrochloride

>  <CAS> (639)
827022-32-2, 571190-30-2 (free base)

>  <URL> (639)
http://www.selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (640)
640

>  <Formula> (640)
C26H35N7O6S

>  <MolWeight> (640)
573.6644

>  <Cat> (640)
S1579

>  <Name> (640)
PD 0332991 (Palbociclib) Isethionate

>  <Synonyms> (640)
N/A

>  <Target> (640)
CDK

>  <Form> (640)
Isethionate

>  <CAS> (640)
827022-33-3, 571190-30-2(free base)

>  <URL> (640)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
STF-083010.cdx
csChFnd80/10202016042D

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Others

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Free Base

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307543-71-1

>  <URL> (641)
http://www.selleckchem.com/products/stf-083010.html

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C29H28ClN7OS

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N/A

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PAK

>  <Form> (642)
Free Base

>  <CAS> (642)
1286739-19-2

>  <URL> (642)
http://www.selleckchem.com/products/frax597.html

$$$$
Ro-3306.cdx
csChFnd80/10202016042D

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Ro-3306

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N/A

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CDK

>  <Form> (643)
Free Base

>  <CAS> (643)
872573-93-8

>  <URL> (643)
http://www.selleckchem.com/products/ro-3306.html

$$$$
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csChFnd80/10202016042D

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644

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EGFR

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850140-73-7

>  <URL> (644)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
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1047644-62-1

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1394076-92-6

>  <URL> (647)
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C19H25ClN6O

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Purvalanol A

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N/A

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CDK

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Free Base

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212844-53-6

>  <URL> (649)
http://www.selleckchem.com/products/purvalanol-a.html

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>  <Target> (650)
PDGFR

>  <Form> (650)
Free Base

>  <CAS> (650)
883986-34-3

>  <URL> (650)
http://www.selleckchem.com/products/azd2932.html

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Flagecidin 

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JNK

>  <Form> (651)
Free Base

>  <CAS> (651)
22862-76-6

>  <URL> (651)
http://www.selleckchem.com/products/anisomycin.html

$$$$
MHY1485.cdx
csChFnd80/10202016042D

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652

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C17H21N7O4

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MHY1485

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N/A

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mTOR

>  <Form> (652)
Free Base

>  <CAS> (652)
326914-06-1

>  <URL> (652)
http://www.selleckchem.com/products/mhy1485.html

$$$$
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M  END
>  <Mol_ID> (657)
657

>  <Formula> (657)
C16H18Cl3N5O2

>  <MolWeight> (657)
418.70542

>  <Cat> (657)
S7808

>  <Name> (657)
AT7519 HCl

>  <Synonyms> (657)
N/A

>  <Target> (657)
CDK

>  <Form> (657)
Hydrochloride

>  <CAS> (657)
902135-91-5

>  <URL> (657)
http://www.selleckchem.com/products/at7519-hcl.html

$$$$
ARRY-614.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (658)
658

>  <Formula> (658)
C31H33FN6O3

>  <MolWeight> (658)
556.6305232

>  <Cat> (658)
S7799

>  <Name> (658)
Pexmetinib (ARRY-614)

>  <Synonyms> (658)
N/A

>  <Target> (658)
p38 MAPK

>  <Form> (658)
Free Base

>  <CAS> (658)
945614-12-0

>  <URL> (658)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

$$$$
LY3009120.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (659)
659

>  <Formula> (659)
C23H29FN6O

>  <MolWeight> (659)
424.5143632

>  <Cat> (659)
S7842

>  <Name> (659)
LY3009120

>  <Synonyms> (659)
N/A

>  <Target> (659)
Raf

>  <Form> (659)
Free Base

>  <CAS> (659)
1454682-72-4

>  <URL> (659)
http://www.selleckchem.com/products/ly3009120.html

$$$$
HTH-01-015.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (660)
660

>  <Formula> (660)
C26H28N8O

>  <MolWeight> (660)
468.55352

>  <Cat> (660)
S7318

>  <Name> (660)
HTH-01-015

>  <Synonyms> (660)
N/A

>  <Target> (660)
AMPK

>  <Form> (660)
Free Base

>  <CAS> (660)
1613724-42-7

>  <URL> (660)
http://www.selleckchem.com/products/hth-01-015.html

$$$$
PLX3397.cdx
csChFnd80/10202016042D

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   10.8790    5.0284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8158    3.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1852    4.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1220    3.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4914    3.5298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9240    4.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9873    5.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6179    5.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2887    5.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2222    4.1145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 17 12  1  0  0  0  0
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 25 20  1  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
M  END
>  <Mol_ID> (661)
661

>  <Formula> (661)
C20H15ClF3N5

>  <MolWeight> (661)
417.8148096

>  <Cat> (661)
S7818

>  <Name> (661)
Pexidartinib (PLX3397)

>  <Synonyms> (661)
N/A

>  <Target> (661)
CSF-1R

>  <Form> (661)
Free Base

>  <CAS> (661)
1029044-16-3

>  <URL> (661)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/10202016042D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.9146    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9146    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1271    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5520    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7644    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7644    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    6.0775    0.0000 N   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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  5  7  1  0  0  0  0
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  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  8 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  8  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 10  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  1  0  0  0
 22 30  1  0  0  0  0
M  END
>  <Mol_ID> (662)
662

>  <Formula> (662)
C21H21F3IN3O2

>  <MolWeight> (662)
531.3100196

>  <Cat> (662)
S8041

>  <Name> (662)
Cobimetinib (GDC-0973, RG7420)

>  <Synonyms> (662)
XL518

>  <Target> (662)
MEK

>  <Form> (662)
Free Base

>  <CAS> (662)
934660-93-2

>  <URL> (662)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BVD-523.cdx
csChFnd80/10202016042D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.9944    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9944    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3394    5.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0566    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8441    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6839    7.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2534    8.7660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2916    7.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4305    9.8986    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9999   11.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3922   11.3239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0764    8.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  1 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 10 17  1  0  0  0  0
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 18 20  1  0  0  0  0
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 28 22  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (663)
663

>  <Formula> (663)
C21H22Cl2N4O2

>  <MolWeight> (663)
433.33098

>  <Cat> (663)
S7854

>  <Name> (663)
Ulixertinib (BVD-523, VRT752271)

>  <Synonyms> (663)
N/A

>  <Target> (663)
ERK

>  <Form> (663)
Free Base

>  <CAS> (663)
869886-67-9

>  <URL> (663)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
Dorsomorphin.cdx
csChFnd80/10202016042D

 30 34  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4688    6.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5952    8.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1626    6.9999    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
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  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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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
  5 16  1  0  0  0  0
 16 17  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> (664)
664

>  <Formula> (664)
C24H25N5O

>  <MolWeight> (664)
399.4882

>  <Cat> (664)
S7840

>  <Name> (664)
Dorsomorphin (Compound C)

>  <Synonyms> (664)
Compound C, BML-275

>  <Target> (664)
AMPK

>  <Form> (664)
Free Base

>  <CAS> (664)
866405-64-3

>  <URL> (664)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$

csChFnd80/10202016042D

 33 37  0  0  0  0  0  0  0  0999 V2000
    8.4716    2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4584    0.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8831    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964    2.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6906    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2105    0.2433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0440    1.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2319    2.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4440    1.3548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1796    5.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8411    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0336    0.7344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1730    8.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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181223-80-3

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http://www.selleckchem.com/products/del-22379.html

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JAK

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Free Base

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944118-01-8

>  <URL> (666)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

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Trk receptor

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Free Base

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1108743-60-7

>  <URL> (667)
http://www.selleckchem.com/products/entrectinib-rxdx-101.html

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>  <URL> (668)
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944842-54-0

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http://www.selleckchem.com/products/decernotinib-vx-509.html

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>  <Mol_ID> (677)
677

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C17H11ClN4O

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322.74844

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S7691

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PS-1145

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N/A

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I¦ÊB/IKK

>  <Form> (677)
Free base

>  <CAS> (677)
431898-65-6

>  <URL> (677)
http://www.selleckchem.com/products/ps-1145.html

$$$$
LJI308.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (678)
678

>  <Formula> (678)
C21H18F2N2O2

>  <MolWeight> (678)
368.3766264

>  <Cat> (678)
S7871

>  <Name> (678)
LJI308

>  <Synonyms> (678)
N/A

>  <Target> (678)
S6 Kinase

>  <Form> (678)
Free Base

>  <CAS> (678)
1627709-94-7

>  <URL> (678)
http://www.selleckchem.com/products/lji308.html

$$$$
Radotinib (IY-5511).cdx
csChFnd80/10202016042D

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>  <Mol_ID> (679)
679

>  <Formula> (679)
C27H21F3N8O

>  <MolWeight> (679)
530.5038496

>  <Cat> (679)
S8134

>  <Name> (679)
Radotinib

>  <Synonyms> (679)
IY-5511

>  <Target> (679)
Bcr-Abl

>  <Form> (679)
Free Base

>  <CAS> (679)
926037-48-1

>  <URL> (679)
http://www.selleckchem.com/products/radotinib.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (680)
680

>  <Formula> (680)
C15H23ClFN3O4S

>  <MolWeight> (680)
395.8772232

>  <Cat> (680)
S7995

>  <Name> (680)
Ripasudil (K-115)

>  <Synonyms> (680)
N/A

>  <Target> (680)
ROCK

>  <Form> (680)
Hydrochloride dihydrate

>  <CAS> (680)
887375-67-9

>  <URL> (680)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
K03861.cdx
csChFnd80/10202016042D

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1383716-33-3

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http://www.selleckchem.com/products/vps34-in1.html

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122520-85-8

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Kenpaullone.cdx
csChFnd80/10202016042D

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CDK

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142273-20-9

>  <URL> (692)
http://www.selleckchem.com/products/kenpaullone.html

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Oclacitinib maleate.cdx
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693

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JAK

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1640292-55-2

>  <URL> (693)
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MLN2480.cdx
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1096708-71-2

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http://www.selleckchem.com/products/mln2480.html

$$$$
Acalabrutinib.cdx
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1420477-60-6

>  <URL> (695)
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PIK-III

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VPS34-IN2

>  <Target> (696)
Autophagy

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1383716-40-2

>  <URL> (696)
http://www.selleckchem.com/products/pik-iii.html

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185039-89-8

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http://www.selleckchem.com/products/pd0166285.html

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p38 MAPK

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>  <URL> (698)
http://www.selleckchem.com/products/bms-582949.html

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VEGFR

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Free Base

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1239875-86-5

>  <URL> (699)
http://www.selleckchem.com/products/sgi-7079.html

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ETC-1002.cdx
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>  <Mol_ID> (700)
700

>  <Formula> (700)
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>  <MolWeight> (700)
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>  <Cat> (700)
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>  <Name> (700)
ETC-1002

>  <Synonyms> (700)
Bempedoic acid|ESP-55016

>  <Target> (700)
AMPK

>  <Form> (700)
Free Base

>  <CAS> (700)
738606-46-7

>  <URL> (700)
http://www.selleckchem.com/products/etc-1002.html

$$$$
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C27H25F3N8O2

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S7752

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Pluripotin (SC1)

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N/A

>  <Target> (701)
ERK

>  <Form> (701)
Free Base

>  <CAS> (701)
839707-37-8

>  <URL> (701)
http://www.selleckchem.com/products/pluripotin-sc1.html

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702

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BI-1347

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N/A

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CDK

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Free Base

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2163056-91-3

>  <URL> (702)
http://www.selleck.cn/products/bi-1347.html

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M  END
>  <Mol_ID> (703)
703

>  <Formula> (703)
C24H22F2N6O3S

>  <MolWeight> (703)
512.5316864

>  <Cat> (703)
S7964

>  <Name> (703)
PLX7904

>  <Synonyms> (703)
PB04

>  <Target> (703)
Raf

>  <Form> (703)
Free Base

>  <CAS> (703)
1393465-84-3

>  <URL> (703)
http://www.selleckchem.com/products/plx7904.html

$$$$
Dihydrostreptomycin sulfate.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (704)
704

>  <Formula> (704)
C42H88N14O36S3

>  <MolWeight> (704)
1461.41532

>  <Cat> (704)
S4523

>  <Name> (704)
Dihydrostreptomycin sulfate

>  <Synonyms> (704)
N/A

>  <Target> (704)
Antifection

>  <Form> (704)
1.5Sulfate

>  <CAS> (704)
5490-27-7

>  <URL> (704)
http://www.selleckchem.com/products/dihydrostreptomycin-sulfate.html

$$$$
MRT68921.cdx
csChFnd80/10202016042D

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A   35
xHCl
M  END
>  <Mol_ID> (705)
705

>  <Formula> (705)
C26H36N6O2R

>  <MolWeight> (705)
464.60304

>  <Cat> (705)
S7948

>  <Name> (705)
MRT67307 HCl

>  <Synonyms> (705)
N/A

>  <Target> (705)
I¦ÊB/IKK

>  <Form> (705)
hydrochloride

>  <CAS> (705)
1190378-57-4 (free-base)

>  <URL> (705)
http://www.selleckchem.com/products/mrt67307.html

$$$$
MRT67307.cdx
csChFnd80/10202016042D

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A   33
XHCl
M  END
>  <Mol_ID> (706)
706

>  <Formula> (706)
C25H34N6OR

>  <MolWeight> (706)
434.57706

>  <Cat> (706)
S7949

>  <Name> (706)
MRT68921 HCl

>  <Synonyms> (706)
N/A

>  <Target> (706)
Autophagy

>  <Form> (706)
hydrochloride

>  <CAS> (706)
1190379-70-4 (free base)

>  <URL> (706)
http://www.selleckchem.com/products/mrt68921.html

$$$$
BI-78D3.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (707)
707

>  <Formula> (707)
C13H9N5O5S2

>  <MolWeight> (707)
379.37106

>  <Cat> (707)
S8201

>  <Name> (707)
BI-78D3

>  <Synonyms> (707)
N/A

>  <Target> (707)
JNK

>  <Form> (707)
Free Base

>  <CAS> (707)
883065-90-5

>  <URL> (707)
http://www.selleckchem.com/products/bi-78d3.html

$$$$
IC261.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (708)
708

>  <Formula> (708)
C18H17NO4

>  <MolWeight> (708)
311.33188

>  <Cat> (708)
S8237

>  <Name> (708)
IC261

>  <Synonyms> (708)
SU-5607

>  <Target> (708)
Casein Kinase

>  <Form> (708)
Free Base

>  <CAS> (708)
186611-52-9

>  <URL> (708)
http://www.selleckchem.com/products/ic261.html

$$$$
GSK481.cdx
csChFnd80/10202016042D

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1622849-58-4

>  <URL> (709)
http://www.selleckchem.com/products/gsk481.html

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PI3K

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Free Base

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1254036-66-2

>  <URL> (710)
http://www.selleckchem.com/products/gsk2292767.html

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>  <URL> (712)
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  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
 19 20  1  0  0  0  0
 17 23  1  0  0  0  0
 15 24  1  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (713)
713

>  <Formula> (713)
C15H11ClF3N5O4S

>  <MolWeight> (713)
449.7921496

>  <Cat> (713)
S8303

>  <Name> (713)
Kobe0065

>  <Synonyms> (713)
N/A

>  <Target> (713)
Rho

>  <Form> (713)
Free Base

>  <CAS> (713)
436133-68-5

>  <URL> (713)
http://www.selleckchem.com/products/kobe0065.html

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/10202016042D

 35 39  0  0  0  0  0  0  0  0999 V2000
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    4.4674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   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
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   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
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   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> (714)
714

>  <Formula> (714)
C26H26N6O2S

>  <MolWeight> (714)
486.58864

>  <Cat> (714)
S8294

>  <Name> (714)
Olmutinib (HM61713, BI 1482694)

>  <Synonyms> (714)
BI 1482694, HM61713, HM71224

>  <Target> (714)
EGFR

>  <Form> (714)
Free Base

>  <CAS> (714)
1353550-13-6

>  <URL> (714)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
5-Iodotubercidin.cdx
csChFnd80/10202016042D

 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> (715)
715

>  <Formula> (715)
C11H13IN4O4

>  <MolWeight> (715)
392.14979

>  <Cat> (715)
S8314

>  <Name> (715)
5-Iodotubercidin

>  <Synonyms> (715)
NSC 113939, 5-ITu

>  <Target> (715)
Adenosine Receptor

>  <Form> (715)
Free Base

>  <CAS> (715)
24386-93-4

>  <URL> (715)
http://www.selleckchem.com/products/5-iodotubercidin.html

$$$$
S4690 Vitamin E.cdx
csChFnd80/10202016042D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.6403    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    3.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8491    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0658    2.1073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2161    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2782    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036    1.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4916    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6854    1.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9256    2.1347    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1058    1.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9256    3.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3525    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    1.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7776    2.2144    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9535    1.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7776    3.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2022    2.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3779    1.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6268    2.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8024    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6268    3.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0592    3.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 11  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
  7 31  1  1  0  0  0
M  END
>  <Mol_ID> (716)
716

>  <Formula> (716)
C29H50O2

>  <MolWeight> (716)
430.7061

>  <Cat> (716)
S4686

>  <Name> (716)
Vitamin E

>  <Synonyms> (716)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (716)
COX,VEGFR

>  <Form> (716)
Free Base

>  <CAS> (716)
21590

>  <URL> (716)
http://www.selleckchem.com/products/vitamin-e.html

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/10202016042D

 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> (717)
717

>  <Formula> (717)
C15H10O4

>  <MolWeight> (717)
254.2375

>  <Cat> (717)
S8319

>  <Name> (717)
7,8-Dihydroxyflavone

>  <Synonyms> (717)
7,8-DHF

>  <Target> (717)
Trk receptor

>  <Form> (717)
Free Base

>  <CAS> (717)
38183-03-8

>  <URL> (717)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

$$$$
MLR-1023.cdx
csChFnd80/10202016042D

 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
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41964-07-2

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GTPL8918

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Akt

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Free Base

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1386874-06-1

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http://www.selleckchem.com/products/ly3023414.html

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Selonsertib (GS-4997).cdx
csChFnd80/10202016042D

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Caspase

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Free Base

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1448428-04-3

>  <URL> (720)
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PKC

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hydrochloride

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169939-93-9

>  <URL> (721)
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PAK

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1232030-35-1

>  <URL> (722)
http://www.selleckchem.com/products/frax486.html

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VO-Ohpic.cdx
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C12H15N2O11V

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VO-Ohpic trihydrate

>  <Synonyms> (723)
N/A

>  <Target> (723)
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trihydrate

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476310-60-8

>  <URL> (723)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
EAI045.cdx
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724

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C19H14FN3O3S

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EAI045

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N/A

>  <Target> (724)
EGFR

>  <Form> (724)
Free Base

>  <CAS> (724)
1942114-09-1

>  <URL> (724)
http://www.selleckchem.com/products/eai045.html

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Shikonin.cdx
csChFnd80/10202016042D

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725

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C16H16O5

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Shikonin

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N/A

>  <Target> (725)
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Free Base

>  <CAS> (725)
517-89-5

>  <URL> (725)
http://www.selleckchem.com/products/shikonin.html

$$$$
AZD8835.cdx
csChFnd80/10202016042D

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1620576-64-8

>  <URL> (726)
http://www.selleckchem.com/products/azd8835.html

$$$$
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csChFnd80/10202016042D

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>  <Mol_ID> (727)
727

>  <Formula> (727)
C18H15N5O6S2

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>  <Name> (727)
Necrosulfonamide

>  <Synonyms> (727)
N/A

>  <Target> (727)
Others

>  <Form> (727)
Free Base

>  <CAS> (727)
1360614-48-7

>  <URL> (727)
http://www.selleckchem.com/products/necrosulfonamide.html

$$$$
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>  <Mol_ID> (728)
728

>  <Formula> (728)
C20H20Cl2N6O3

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>  <Name> (728)
BAY-61-3606

>  <Synonyms> (728)
N/A

>  <Target> (728)
Syk

>  <Form> (728)
dihydrochloride

>  <CAS> (728)
648903-57-5

>  <URL> (728)
http://www.selleckchem.com/products/bay-61-3606.html

$$$$
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>  <Mol_ID> (729)
729

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WNK463

>  <Synonyms> (729)
N/A

>  <Target> (729)
Others

>  <Form> (729)
Free Base

>  <CAS> (729)
2012607-27-9

>  <URL> (729)
http://www.selleckchem.com/products/wnk463.html

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>  <Mol_ID> (730)
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Trk receptor

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sulfate

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1223405-08-0

>  <URL> (730)
http://www.selleckchem.com/products/loxo-101.html

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APS-2-79 HCl

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N/A

>  <Target> (731)
MEK

>  <Form> (731)
hydrochloride

>  <CAS> (731)
2002381-31-7

>  <URL> (731)
http://www.selleckchem.com/products/aps-2-79.html

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C11H6N4O4S

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NSC228155

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N/A

>  <Target> (732)
EGFR

>  <Form> (732)
Free Base

>  <CAS> (732)
113104-25-9

>  <URL> (732)
http://www.selleckchem.com/products/nsc228155.html

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733

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C23H28N8O

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432.52142

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BMS-911543

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N/A

>  <Target> (733)
JAK

>  <Form> (733)
Free Base

>  <CAS> (733)
1271022-90-2

>  <URL> (733)
http://www.selleckchem.com/products/bms-911543.html

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csChFnd80/10202016042D

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Akt

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522-17-8

>  <URL> (734)
http://www.selleckchem.com/products/deguelin.html

$$$$
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M  END
>  <Mol_ID> (735)
735

>  <Formula> (735)
C22H15F3N4O2

>  <MolWeight> (735)
424.3753096

>  <Cat> (735)
S8189

>  <Name> (735)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (735)
N/A

>  <Target> (735)
VEGFR

>  <Form> (735)
Free Base

>  <CAS> (735)
861875-60-7

>  <URL> (735)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (736)
736

>  <Formula> (736)
C19H20F2N4O4

>  <MolWeight> (736)
406.3833064

>  <Cat> (736)
S8125

>  <Name> (736)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (736)
N/A

>  <Target> (736)
p38 MAPK

>  <Form> (736)
Free Base

>  <CAS> (736)
449811-01-2

>  <URL> (736)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
OICR-9429.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (737)
737

>  <Formula> (737)
C29H32F3N5O3

>  <MolWeight> (737)
555.5912896

>  <Cat> (737)
S7833

>  <Name> (737)
OICR-9429

>  <Synonyms> (737)
N/A

>  <Target> (737)
Histone Methyltransferase

>  <Form> (737)
Free Base

>  <CAS> (737)
1801787-56-3

>  <URL> (737)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
BFH772.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (738)
738

>  <Formula> (738)
C23H16F3N3O3

>  <MolWeight> (738)
439.3866496

>  <Cat> (738)
S8188

>  <Name> (738)
BFH772

>  <Synonyms> (738)
BFH 772, BFH-772

>  <Target> (738)
VEGFR

>  <Form> (738)
Free Base

>  <CAS> (738)
890128-81-1

>  <URL> (738)
http://www.selleckchem.com/products/bfh772.html

$$$$
GSK269962.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (739)
739

>  <Formula> (739)
C29H31ClN8O5

>  <MolWeight> (739)
607.06004

>  <Cat> (739)
S7687

>  <Name> (739)
GSK269962 HCl

>  <Synonyms> (739)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (739)
ROCK

>  <Form> (739)
hydrochloride

>  <CAS> (739)
850664-21-0(free base)

>  <URL> (739)
http://www.selleckchem.com/products/gsk269962.html

$$$$
NT157.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (740)
740

>  <Formula> (740)
C16H14BrNO5S

>  <MolWeight> (740)
412.25506

>  <Cat> (740)
S8228

>  <Name> (740)
NT157

>  <Synonyms> (740)
N/A

>  <Target> (740)
IGF-1R

>  <Form> (740)
Free Base

>  <CAS> (740)
1384426-12-3

>  <URL> (740)
http://www.selleckchem.com/products/nt157.html

$$$$
RO9021.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (741)
741

>  <Formula> (741)
C18H25N7O

>  <MolWeight> (741)
355.4374

>  <Cat> (741)
S7286

>  <Name> (741)
RO9021

>  <Synonyms> (741)
N/A

>  <Target> (741)
Syk

>  <Form> (741)
Free Base

>  <CAS> (741)
1446790-62-0

>  <URL> (741)
http://www.selleckchem.com/products/ro9021.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (742)
742

>  <Formula> (742)
C26H24N8O2

>  <MolWeight> (742)
480.52116

>  <Cat> (742)
S8362

>  <Name> (742)
ARRY-380 (ONT-380)

>  <Synonyms> (742)
Tucatinib

>  <Target> (742)
HER2

>  <Form> (742)
Free Base

>  <CAS> (742)
937263-43-9

>  <URL> (742)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
LY2801653 (Merestinib).cdx
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c-Met

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1206799-15-6

>  <URL> (743)
http://www.selleckchem.com/products/ly2801653-merestinib.html

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N/A

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PI3K

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Free Base

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1382979-44-3

>  <URL> (744)
http://www.selleckchem.com/products/gdc-0084.html

$$$$
ML-7.cdx
csChFnd80/10202016042D

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745

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C15H18ClIN2O2S

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N/A

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hydrochloride

>  <CAS> (745)
110448-33-4

>  <URL> (745)
http://www.selleckchem.com/products/ml-7.html

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CC-115.cdx
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Free Base

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1228013-15-7

>  <URL> (746)
http://www.selleckchem.com/products/cc-115.html

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1345098-78-3

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   13.3168    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7416    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7416    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9541    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1665    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1665    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9541    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3789    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3789    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5914    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7222   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 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  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  1  0  0  0
M  END
>  <Mol_ID> (751)
751

>  <Formula> (751)
C16H18Cl2N4O

>  <MolWeight> (751)
353.24632

>  <Cat> (751)
S7935

>  <Name> (751)
Y-39983 HCl

>  <Synonyms> (751)
Y-33075 HCl

>  <Target> (751)
ROCK

>  <Form> (751)
dihydrochloride

>  <CAS> (751)
173897-44-4

>  <URL> (751)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/10202016042D

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.4619    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4619    7.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    7.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743   10.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495    5.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6743    5.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8972    7.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1347    6.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0157    5.3689    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6356    2.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 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
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (752)
752

>  <Formula> (752)
C21H20N2O3S

>  <MolWeight> (752)
380.4601

>  <Cat> (752)
S8448

>  <Name> (752)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (752)
N/A

>  <Target> (752)
ROCK

>  <Form> (752)
Free Base

>  <CAS> (752)
557782-81-7

>  <URL> (752)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
STO-609.cdx
csChFnd80/10202016042D

 24 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 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 16  1  0  0  0  0
 13 21  2  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (753)
753

>  <Formula> (753)
C19H10N2O3

>  <MolWeight> (753)
314.2943

>  <Cat> (753)
S8274

>  <Name> (753)
STO-609

>  <Synonyms> (753)
N/A

>  <Target> (753)
CaMK

>  <Form> (753)
Free Base

>  <CAS> (753)
52029-86-4

>  <URL> (753)
http://www.selleckchem.com/products/sto-609.html

$$$$
NSC12.cdx
csChFnd80/10202016042D

 37 40  0  0  0  0  0  0  0  0999 V2000
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    1.2124    0.7000    0.0000 C   0  0  1  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 12  1  0  0  0  0
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 18 20  1  0  0  0  0
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 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
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 22 28  1  0  0  0  0
 22 29  1  0  0  0  0
 22 30  1  0  0  0  0
  2 31  1  1  0  0  0
  5 32  1  1  0  0  0
  9 33  1  1  0  0  0
 10 34  1  6  0  0  0
 11 35  1  6  0  0  0
 17 36  1  6  0  0  0
 12 37  1  1  0  0  0
M  END
>  <Mol_ID> (754)
754

>  <Formula> (754)
C24H34F6O3

>  <MolWeight> (754)
484.5153792

>  <Cat> (754)
S7940

>  <Name> (754)
NSC12

>  <Synonyms> (754)
NSC 172285

>  <Target> (754)
FGFR

>  <Form> (754)
Free Base

>  <CAS> (754)
102586-30-1

>  <URL> (754)
http://www.selleckchem.com/products/nsc12.html

$$$$
THZ1.cdx
csChFnd80/10202016042D

 43 45  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (755)
755

>  <Formula> (755)
C31H30Cl3N7O2

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638.9746

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S7549

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THZ1 2HCl

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N/A

>  <Target> (755)
CDK

>  <Form> (755)
dihydrochloride

>  <CAS> (755)
1604810-83-4(free base)

>  <URL> (755)
http://www.selleckchem.com/products/thz1.html

$$$$
GSK2269557.cdx
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>  <Mol_ID> (756)
756

>  <Formula> (756)
C26H28N6O

>  <MolWeight> (756)
440.54012

>  <Cat> (756)
S7937

>  <Name> (756)
GSK2269557

>  <Synonyms> (756)
Nemiralisib

>  <Target> (756)
PI3K

>  <Form> (756)
Free Base

>  <CAS> (756)
1254036-71-9

>  <URL> (756)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
S4740 Ferulic acid (sodium).cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (757)
757

>  <Formula> (757)
C10H9NaO4

>  <MolWeight> (757)
216.16583

>  <Cat> (757)
S4740

>  <Name> (757)
Sodium ferulate

>  <Synonyms> (757)
Ferulic acid sodium salt

>  <Target> (757)
Thrombin

>  <Form> (757)
Sodium salt

>  <CAS> (757)
24276-84-4

>  <URL> (757)
http://www.selleckchem.com/products/ferulic-acid-sodium.html

$$$$
S49076.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (758)
758

>  <Formula> (758)
C22H22N4O4S

>  <MolWeight> (758)
438.49948

>  <Cat> (758)
S8404

>  <Name> (758)
S49076

>  <Synonyms> (758)
N/A

>  <Target> (758)
c-Met  & FGFR

>  <Form> (758)
Free Base

>  <CAS> (758)
1265965-22-7

>  <URL> (758)
http://www.selleckchem.com/products/s49076.html

$$$$
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 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 26 27  2  0  0  0  0
 27 21  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (759)
759

>  <Formula> (759)
C20H19FN4O2S

>  <MolWeight> (759)
398.4538632

>  <Cat> (759)
S8261

>  <Name> (759)
GSK583

>  <Synonyms> (759)
N/A

>  <Target> (759)
NF-¦ÊB

>  <Form> (759)
Free Base

>  <CAS> (759)
1346547-00-9

>  <URL> (759)
http://www.selleckchem.com/products/gsk583.html

$$$$
ARQ 092.cdx
csChFnd80/10202016042D

 34 38  0  0  0  0  0  0  0  0999 V2000
    3.6331    8.9134    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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 15 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 16  1  0  0  0  0
M  END
>  <Mol_ID> (760)
760

>  <Formula> (760)
C27H25ClN6

>  <MolWeight> (760)
468.9806

>  <Cat> (760)
S8339

>  <Name> (760)
Miransertib (ARQ 092)HCl

>  <Synonyms> (760)
Miransertib

>  <Target> (760)
Akt

>  <Form> (760)
hydrochloride

>  <CAS> (760)
1313883-00-9

>  <URL> (760)
http://www.selleckchem.com/products/arq-092.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/10202016042D

 29 32  0  0  0  0  0  0  0  0999 V2000
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
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 27 21  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (761)
761

>  <Formula> (761)
C21H25N7O

>  <MolWeight> (761)
391.4695

>  <Cat> (761)
S8456

>  <Name> (761)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (761)
N/A

>  <Target> (761)
PI3K

>  <Form> (761)
Free Base

>  <CAS> (761)
1383716-46-8

>  <URL> (761)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
OTS514.cdx
csChFnd80/10202016042D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    5.6000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (762)
762

>  <Formula> (762)
C21H21ClN2O2S

>  <MolWeight> (762)
400.92164

>  <Cat> (762)
S7652

>  <Name> (762)
OTS514 hydrochloride

>  <Synonyms> (762)
N/A

>  <Target> (762)
TOPK

>  <Form> (762)
hydrochloride

>  <CAS> (762)
1338540-63-8(free base)

>  <URL> (762)
http://www.selleckchem.com/products/ots514.html

$$$$
SAR-020106.cdx
csChFnd80/10202016042D

 27 29  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
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M  END
>  <Mol_ID> (763)
763

>  <Formula> (763)
C19H19ClN6O

>  <MolWeight> (763)
382.84676

>  <Cat> (763)
S7740

>  <Name> (763)
SAR-020106

>  <Synonyms> (763)
N/A

>  <Target> (763)
Chk

>  <Form> (763)
Free Base

>  <CAS> (763)
1184843-57-9

>  <URL> (763)
http://www.selleckchem.com/products/sar-020106.html

$$$$
S8275-eFT-508.cdx
csChFnd80/10202016042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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764

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eFT-508 (eFT508)

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N/A

>  <Target> (764)
MNK

>  <Form> (764)
Free Base

>  <CAS> (764)
1849590-01-7

>  <URL> (764)
http://www.selleckchem.com/products/eft-508.html

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Urokinase inhibitor 1.cdx
csChFnd80/10202016042D

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765

>  <Formula> (765)
C14H17Cl2N5O4S

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S8457

>  <Name> (765)
UK-371804 HCl

>  <Synonyms> (765)
UK-371804 HCl

>  <Target> (765)
Serine Protease

>  <Form> (765)
hydrochloride

>  <CAS> (765)
256476-36-5

>  <URL> (765)
http://www.selleckchem.com/products/uk-371804-hcl.html

$$$$
S7743-CCT196969.cdx
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766

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CCT196969

>  <Synonyms> (766)
N/A

>  <Target> (766)
Raf

>  <Form> (766)
Free Base

>  <CAS> (766)
1163719-56-9

>  <URL> (766)
http://www.selleckchem.com/products/cct196969.html

$$$$
LY2857785.cdx
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767

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N/A

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CDK

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>  <CAS> (767)
1619903-54-6

>  <URL> (767)
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$$$$

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$$$$
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>  <Mol_ID> (771)
771

>  <Formula> (771)
C23H28N8O

>  <MolWeight> (771)
432.52142

>  <Cat> (771)
S7992

>  <Name> (771)
LDC4297 (LDC044297)

>  <Synonyms> (771)
N/A

>  <Target> (771)
CDK

>  <Form> (771)
Free Base

>  <CAS> (771)
1453834-21-3

>  <URL> (771)
http://www.selleckchem.com/products/ldc4297-ldc044297.html

$$$$
ONO-4059 (GS-4059).cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (772)
772

>  <Formula> (772)
C25H23ClN6O3

>  <MolWeight> (772)
490.94152

>  <Cat> (772)
S8166

>  <Name> (772)
ONO-4059 (GS-4059) hydrochloride

>  <Synonyms> (772)
N/A

>  <Target> (772)
BTK

>  <Form> (772)
hydrochloride

>  <CAS> (772)
1439901-97-9

>  <URL> (772)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/10202016042D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (773)
773

>  <Formula> (773)
C19H15N3O2

>  <MolWeight> (773)
317.3413

>  <Cat> (773)
S7954

>  <Name> (773)
CP21R7 (CP21)

>  <Synonyms> (773)
N/A

>  <Target> (773)
Wnt/beta-catenin

>  <Form> (773)
Free Base

>  <CAS> (773)
125314-13-8

>  <URL> (773)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/10202016042D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (774)
774

>  <Formula> (774)
C15H18O2

>  <MolWeight> (774)
230.30222

>  <Cat> (774)
S8291

>  <Name> (774)
Atractylenolide I

>  <Synonyms> (774)
N/A

>  <Target> (774)
Immunology & Inflammation related

>  <Form> (774)
Free Base

>  <CAS> (774)
73069-13-3
73069-13-3

>  <URL> (774)
http://www.selleckchem.com/products/atractylenolide-i.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/10202016042D

 23 23  0  0  0  0  0  0  0  0999 V2000
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A   23
xH2O
M  END
>  <Mol_ID> (775)
775

>  <Formula> (775)
C14H18ClN3O3RS

>  <MolWeight> (775)
343.82902

>  <Cat> (775)
S8208

>  <Name> (775)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (775)
N/A

>  <Target> (775)
ROCK

>  <Form> (775)
hydrochloride

>  <CAS> (775)
155558-32-0 (HCl salt)

>  <URL> (775)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$

csChFnd80/10202016042D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (776)
776

>  <Formula> (776)
C21H18F3N5O

>  <MolWeight> (776)
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>  <Cat> (776)
S2931

>  <Name> (776)
Aurora Kinase Inhibitor III

>  <Synonyms> (776)
N/A

>  <Target> (776)
Aurora Kinase

>  <Form> (776)
Free Base

>  <CAS> (776)
879127-16-9

>  <URL> (776)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

$$$$
SUN11602.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (777)
777

>  <Formula> (777)
C26H37N5O2

>  <MolWeight> (777)
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>  <Cat> (777)
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>  <Name> (777)
SUN11602

>  <Synonyms> (777)
N/A

>  <Target> (777)
FGFR

>  <Form> (777)
Free Base

>  <CAS> (777)
704869-38-5

>  <URL> (777)
http://www.selleckchem.com/products/sun11602.html

$$$$
TGR-1202.cdx
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>  <Mol_ID> (778)
778

>  <Formula> (778)
C31H24F3N5O3

>  <MolWeight> (778)
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>  <Cat> (778)
S8194

>  <Name> (778)
TGR-1202

>  <Synonyms> (778)
Rp-5264

>  <Target> (778)
PI3K

>  <Form> (778)
Free Base

>  <CAS> (778)
1532533-67-7

>  <URL> (778)
http://www.selleckchem.com/products/tgr-1202.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
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M  END
>  <Mol_ID> (779)
779

>  <Formula> (779)
C26H31ClN6O2

>  <MolWeight> (779)
495.01634

>  <Cat> (779)
S7824

>  <Name> (779)
Nazartinib (EGF816, NVS-816)

>  <Synonyms> (779)
N/A

>  <Target> (779)
EGFR

>  <Form> (779)
Free Base

>  <CAS> (779)
1508250-71-2

>  <URL> (779)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
OTS964.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (780)
780

>  <Formula> (780)
C23H26Cl2N2O2S

>  <MolWeight> (780)
465.43574

>  <Cat> (780)
S7648

>  <Name> (780)
OTS964

>  <Synonyms> (780)
N/A

>  <Target> (780)
Others

>  <Form> (780)
dihydrochloride

>  <CAS> (780)
1338545-07-5(HCl salt)

>  <URL> (780)
http://www.selleckchem.com/products/ots964.html

$$$$
CC-930.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (781)
781

>  <Formula> (781)
C21H24ClF3N6O2

>  <MolWeight> (781)
484.9024696

>  <Cat> (781)
S8490

>  <Name> (781)
Tanzisertib(CC-930)

>  <Synonyms> (781)
JNK-930|JNKI-1

>  <Target> (781)
JNK

>  <Form> (781)
hydrochloride

>  <CAS> (781)
899805-25-5 (free base)

>  <URL> (781)
http://www.selleckchem.com/products/cc-930.html

$$$$
PD-166866.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (782)
782

>  <Formula> (782)
C20H24N6O3

>  <MolWeight> (782)
396.44296

>  <Cat> (782)
S8493

>  <Name> (782)
PD-166866

>  <Synonyms> (782)
N/A

>  <Target> (782)
FGFR

>  <Form> (782)
Free Base

>  <CAS> (782)
192705-79-6

>  <URL> (782)
http://www.selleckchem.com/products/pd-166866.html

$$$$
BLU-554.cdx
csChFnd80/10202016042D

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free base

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1629268-00-3

>  <URL> (789)
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1883545-60-5

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792

>  <Formula> (792)
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>  <MolWeight> (792)
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>  <Cat> (792)
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>  <Name> (792)
AD80

>  <Synonyms> (792)
N/A

>  <Target> (792)
Raf,Src,S6 Kinase,RET V804M,RET V804L,RET wt

>  <Form> (792)
free base

>  <CAS> (792)
1384071-99-1

>  <URL> (792)
http://www.selleckchem.com/products/ad80.html

$$$$
RXDX-106 (CEP-40783).cdx
csChFnd80/10202016042D

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>  <Mol_ID> (793)
793

>  <Formula> (793)
C31H26F2N4O6

>  <MolWeight> (793)
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>  <Cat> (793)
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>  <Name> (793)
RXDX-106 (CEP-40783)

>  <Synonyms> (793)
N/A

>  <Target> (793)
Axl,c-Met,Tyro3,MER,Tyro3,VEGFR2

>  <Form> (793)
free base

>  <CAS> (793)
1437321-24-8

>  <URL> (793)
http://www.selleckchem.com/products/rxdx-106-cep-40783.html

$$$$
GDC-0326.cdx
csChFnd80/10202016042D

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794

>  <Formula> (794)
C19H22N6O3

>  <MolWeight> (794)
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>  <Cat> (794)
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>  <Name> (794)
GDC-0326

>  <Synonyms> (794)
N/A

>  <Target> (794)
PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

>  <Form> (794)
free base

>  <CAS> (794)
1282514-88-8

>  <URL> (794)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

$$$$
Senexin A.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (795)
795

>  <Formula> (795)
C17H14N4

>  <MolWeight> (795)
274.31986

>  <Cat> (795)
S8520

>  <Name> (795)
Senexin A

>  <Synonyms> (795)
N/A

>  <Target> (795)
CDK19,CDK8

>  <Form> (795)
free base

>  <CAS> (795)
1366002-50-7

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

$$$$
MSC2530818.cdx
csChFnd80/10202016042D

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    2.1544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1505    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5199    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2199    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2831    2.6694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5742    4.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9056    4.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    5.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1563    6.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    6.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5338    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4474    8.1471    0.0000 Cl  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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  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
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
 17 18  1  6  0  0  0
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 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (796)
796

>  <Formula> (796)
C18H17ClN4O

>  <MolWeight> (796)
340.80678

>  <Cat> (796)
S8387

>  <Name> (796)
MSC2530818

>  <Synonyms> (796)
N/A

>  <Target> (796)
CDK8

>  <Form> (796)
free base

>  <CAS> (796)
1883423-59-3

>  <URL> (796)
http://www.selleckchem.com/products/msc2530818.html

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/10202016042D

 45 50  0  0  0  0  0  0  0  0999 V2000
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   13.8633    5.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 26 27  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 30 36  1  0  0  0  0
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 39 40  2  0  0  0  0
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 41 42  2  0  0  0  0
 42 35  1  0  0  0  0
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M  END
>  <Mol_ID> (797)
797

>  <Formula> (797)
C33H29F2N5O4S

>  <MolWeight> (797)
629.6762664

>  <Cat> (797)
S8573

>  <Name> (797)
Sitravatinib (MGCD516)

>  <Synonyms> (797)
MG-516

>  <Target> (797)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (797)
free base

>  <CAS> (797)
1123837-84-2

>  <URL> (797)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

$$$$
3BDO.cdx
csChFnd80/10202016042D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (798)
798

>  <Formula> (798)
C18H17NO5

>  <MolWeight> (798)
327.33128

>  <Cat> (798)
S8317

>  <Name> (798)
3BDO

>  <Synonyms> (798)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (798)
FKBP1A

>  <Form> (798)
free base

>  <CAS> (798)
890405-51-3

>  <URL> (798)
http://www.selleckchem.com/products/3bdo.html

$$$$
TPX-0005.cdx
csChFnd80/10202016042D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 15 14  1  0  0  0  0
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 19 20  2  0  0  0  0
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M  END
>  <Mol_ID> (799)
799

>  <Formula> (799)
C18H18FN5O2

>  <MolWeight> (799)
355.3662232

>  <Cat> (799)
S8583

>  <Name> (799)
TPX-0005

>  <Synonyms> (799)
N/A

>  <Target> (799)
 ALK,ALK(L1196M),ALK(G1202R),Src 

>  <Form> (799)
free base

>  <CAS> (799)
no

>  <URL> (799)
http://www.selleckchem.com/products/tpx-0005.html

$$$$
GSK2982772.cdx
csChFnd80/10202016042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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human RIP1

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free base

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>  <URL> (800)
http://www.selleckchem.com/products/gsk2982772.html

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csChFnd80/10202016042D

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Amcasertib (BBI503)

>  <Synonyms> (801)
N/A

>  <Target> (801)
Nanog

>  <Form> (801)
free base

>  <CAS> (801)
1129403-56-0

>  <URL> (801)
http://www.selleckchem.com/products/amcasertib-bbi503.html

$$$$
SF2523.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (802)
802

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C19H17NO5S

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SF2523

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N/A

>  <Target> (802)
DNA-PK,PI3K¦Á,PI3K¦Ã ,BRD4,mTOR

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free base

>  <CAS> (802)
1174428-47-7

>  <URL> (802)
http://www.selleckchem.com/products/sf2523.html

$$$$
IPI-549.cdx
csChFnd80/10202016042D

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>  <Name> (803)
IPI-549

>  <Synonyms> (803)
N/A

>  <Target> (803)
PI3K¦Ã

>  <CAS> (803)
1693758-51-8

>  <URL> (803)
http://www.selleckchem.com/products/ipi-549.html

$$$$
TAK-659.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (804)
804

>  <Formula> (804)
C17H22ClFN6O

>  <MolWeight> (804)
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>  <Cat> (804)
S8442

>  <Name> (804)
TAK-659

>  <Synonyms> (804)
N/A

>  <Target> (804)
Syk,FLT3,ZAP-70,JAK3,VEGFR2

>  <Form> (804)
hydrochloride 

>  <CAS> (804)
1952251-28-3

>  <URL> (804)
http://www.selleckchem.com/products/tak-659.html

$$$$
PF-06273340.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (805)
805

>  <Formula> (805)
C23H22ClN7O3

>  <MolWeight> (805)
479.91888

>  <Cat> (805)
S8407

>  <Name> (805)
PF-06273340

>  <Synonyms> (805)
N/A

>  <Target> (805)
TrkC,TrkB,TrkA

>  <Form> (805)
free base

>  <CAS> (805)
1402438-74-7

>  <URL> (805)
http://www.selleckchem.com/products/pf-06273340.html

$$$$
GSK'872 (GSK2399872A).cdx
csChFnd80/10202016042D

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>  <Mol_ID> (806)
806

>  <Formula> (806)
C19H17N3O2S2

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>  <Cat> (806)
S8465

>  <Name> (806)
GSK'872 (GSK2399872A)

>  <Synonyms> (806)
N/A

>  <Target> (806)
RIP3K

>  <Form> (806)
Free base

>  <CAS> (806)
1346546-69-7

>  <URL> (806)
http://www.selleckchem.com/products/GSK872-GSK2399872A.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/10202016042D

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>  <Mol_ID> (807)
807

>  <Formula> (807)
C19H17N5O3

>  <MolWeight> (807)
363.36998

>  <Cat> (807)
S8581

>  <Name> (807)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Synonyms> (807)
N/A

>  <Target> (807)
PI3K¦Á 

>  <Form> (807)
Free base

>  <CAS> (807)
1268454-23-4

>  <URL> (807)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/10202016042D

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>  <Mol_ID> (808)
808

>  <Formula> (808)
C2HCl2NaO2

>  <MolWeight> (808)
150.92391

>  <Cat> (808)
S8615

>  <Name> (808)
Sodium dichloroacetate (DCA)

>  <Synonyms> (808)
bichloroacetic acid, BCA

>  <Target> (808)
PDK

>  <Form> (808)
sodium salt

>  <CAS> (808)
2156-56-1

>  <URL> (808)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/10202016042D

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 31  9  1  1  0  0  0
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M  END
>  <Mol_ID> (809)
809

>  <Formula> (809)
C33H44FN5O3

>  <MolWeight> (809)
577.7325632

>  <Cat> (809)
S8511

>  <Name> (809)
Belizatinib (TSR-011)

>  <Synonyms> (809)
N/A

>  <Target> (809)
ALK,TRK

>  <Form> (809)
free base

>  <CAS> (809)
1357920-84-3

>  <URL> (809)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

$$$$
Autophinib.cdx
csChFnd80/10202016042D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.3451    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5575    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (810)
810

>  <Formula> (810)
C14H11ClN6O3

>  <MolWeight> (810)
346.72854

>  <Cat> (810)
S8596

>  <Name> (810)
Autophinib

>  <Synonyms> (810)
N/A

>  <Target> (810)
autophagy

>  <Form> (810)
free base

>  <CAS> (810)
1644443-47-9

>  <URL> (810)
http://www.selleckchem.com/products/autophinib.html

$$$$
PRN1371.cdx
csChFnd80/10202016042D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (811)
811

>  <Formula> (811)
C26H30Cl2N6O4

>  <MolWeight> (811)
561.4602

>  <Cat> (811)
S8578

>  <Name> (811)
PRN1371

>  <Synonyms> (811)
N/A

>  <Target> (811)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (811)
free base

>  <CAS> (811)
1802929-43-6

>  <URL> (811)
http://www.selleckchem.com/products/prn1371.html

$$$$

csChFnd80/10202016042D

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M  END
>  <Mol_ID> (812)
812

>  <Formula> (812)
C22H25FN6O4S

>  <MolWeight> (812)
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>  <Cat> (812)
S2002

>  <Name> (812)
CZC-25146

>  <Synonyms> (812)
N/A

>  <Target> (812)
LRRK2

>  <Form> (812)
Free Base

>  <CAS> (812)
1191911-26-8

>  <URL> (812)
http://www.selleck.cn/products/czc-25146.html

$$$$
Gilteritinib (ASP2215).cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (813)
813

>  <Formula> (813)
C29H44N8O3

>  <MolWeight> (813)
552.71146

>  <Cat> (813)
S7754

>  <Name> (813)
Gilteritinib (ASP2215)

>  <Synonyms> (813)
N/A

>  <Target> (813)
FLT3,Axl 

>  <Form> (813)
free base

>  <CAS> (813)
1254053-43-4

>  <URL> (813)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

$$$$
NCT-503.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (814)
814

>  <Formula> (814)
C20H23F3N4S

>  <MolWeight> (814)
408.4836296

>  <Cat> (814)
S8619

>  <Name> (814)
NCT-503

>  <Synonyms> (814)
N/A

>  <Target> (814)
PHGDH

>  <Form> (814)
free base

>  <CAS> (814)
1916571-90-8

>  <URL> (814)
http://www.selleckchem.com/products/nct-503.html

$$$$
Azoramide.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (815)
815

>  <Formula> (815)
C15H17ClN2OS

>  <MolWeight> (815)
308.82628

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S8304

>  <Name> (815)
Azoramide

>  <Synonyms> (815)
N/A

>  <Target> (815)
UPR

>  <Form> (815)
free base

>  <CAS> (815)
932986-18-0

>  <URL> (815)
http://www.selleckchem.com/products/azoramide.html

$$$$
R-IMPP.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (816)
816

>  <Formula> (816)
C24H27N3O2

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N/A

>  <Target> (816)
PCSK9 

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free base

>  <CAS> (816)
no cas

>  <URL> (816)
http://www.selleckchem.com/products/r-impp.html

$$$$
Chk2 Inhibitor II (BML-277).cdx
csChFnd80/10202016042D

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>  <Mol_ID> (817)
817

>  <Formula> (817)
C20H14ClN3O2

>  <MolWeight> (817)
363.79706

>  <Cat> (817)
S8632

>  <Name> (817)
Chk2 Inhibitor II (BML-277)

>  <Synonyms> (817)
N/A

>  <Target> (817)
Chk2

>  <Form> (817)
free base

>  <CAS> (817)
516480-79-8

>  <URL> (817)
http://www.selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
LY3214996.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (818)
818

>  <Formula> (818)
C22H27N7O2S

>  <MolWeight> (818)
453.56048

>  <Cat> (818)
S8534

>  <Name> (818)
LY3214996

>  <Synonyms> (818)
N/A

>  <Target> (818)
ERK1,ERK2

>  <Form> (818)
free base

>  <CAS> (818)
1951483-29-6

>  <URL> (818)
http://www.selleckchem.com/products/ly3214996.html

$$$$
PF-06409577.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (819)
819

>  <Formula> (819)
C19H16ClNO3

>  <MolWeight> (819)
341.78824

>  <Cat> (819)
S8335

>  <Name> (819)
PF-06409577

>  <Synonyms> (819)
N/A

>  <Target> (819)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (819)
free base

>  <CAS> (819)
1467057-23-3

>  <URL> (819)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/10202016042D

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>  <Mol_ID> (820)
820

>  <Formula> (820)
C18H19NO2S2

>  <MolWeight> (820)
345.47896

>  <Cat> (820)
S8616

>  <Name> (820)
PKM2 inhibitor(compound 3k)

>  <Synonyms> (820)
N/A

>  <Target> (820)
PKM2

>  <Form> (820)
free base

>  <CAS> (820)
94164-88-2

>  <URL> (820)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

$$$$
MKC-3946.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (825)
825

>  <Formula> (825)
C30H50O

>  <MolWeight> (825)
426.7174

>  <Cat> (825)
S3614

>  <Name> (825)
Lupeol

>  <Synonyms> (825)
(3¦Â,13¦Î)-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol

>  <Target> (825)
Others

>  <Form> (825)
free base

>  <CAS> (825)
545-47-1

>  <URL> (825)
http://www.selleckchem.com/products/lupeol.html

$$$$
3PO.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (826)
826

>  <Formula> (826)
C13H10N2O

>  <MolWeight> (826)
210.2313

>  <Cat> (826)
S7639

>  <Name> (826)
3PO

>  <Synonyms> (826)
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one

>  <Target> (826)
PFKFB3

>  <Form> (826)
free base

>  <CAS> (826)
18550-98-6

>  <URL> (826)
http://www.selleckchem.com/products/3po.html

$$$$
H3B-6527.cdx
csChFnd80/10202016042D

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827

>  <Formula> (827)
C29H34Cl2N8O4

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629.53746

>  <Cat> (827)
S8675

>  <Name> (827)
H3B-6527

>  <Synonyms> (827)
N/A

>  <Target> (827)
FGFR4

>  <Form> (827)
free base

>  <CAS> (827)
1702259-66-2

>  <URL> (827)
http://www.selleckchem.com/products/h3b-6527.html

$$$$
Takinib.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (828)
828

>  <Formula> (828)
C18H18N4O2

>  <MolWeight> (828)
322.36112

>  <Cat> (828)
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>  <Name> (828)
Takinib

>  <Synonyms> (828)
EDHS-206

>  <Target> (828)
TAK1,IRAK4,IRAK1

>  <Form> (828)
free base

>  <CAS> (828)
1111556-37-6

>  <URL> (828)
http://www.selleckchem.com/products/takinib.html

$$$$
IPI-3063.cdx
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    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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  7 12  2  0  0  0  0
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 16  7  1  0  0  0  0
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 13 18  1  0  0  0  0
  9 19  1  0  0  0  0
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 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 29 30  1  0  0  0  0
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 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> (829)
829

>  <Formula> (829)
C25H25N7O2

>  <MolWeight> (829)
455.5117

>  <Cat> (829)
S7335

>  <Name> (829)
IPI-3063

>  <Synonyms> (829)
N/A

>  <Target> (829)
p110¦Ä

>  <Form> (829)
free base

>  <CAS> (829)
1425043-73-7

>  <URL> (829)
http://www.selleckchem.com/products/ipi-3063.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/10202016042D

 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
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    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
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    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
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    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  3  8  2  0  0  0  0
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  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
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 10 14  1  0  0  0  0
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 14 16  1  0  0  0  0
  5 20  1  6  0  0  0
M  END
>  <Mol_ID> (830)
830

>  <Formula> (830)
C6H6Na3O9P

>  <MolWeight> (830)
322.049511

>  <Cat> (830)
S5115

>  <Name> (830)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (830)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (830)
Others

>  <Form> (830)
sodium salt

>  <CAS> (830)
66170-10-3

>  <URL> (830)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
PF-06651600.cdx
csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
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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 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> (831)
831

>  <Formula> (831)
C15H19N5O

>  <MolWeight> (831)
285.34426

>  <Cat> (831)
S8538

>  <Name> (831)
PF-06651600

>  <Synonyms> (831)
N/A

>  <Target> (831)
JAK3 

>  <Form> (831)
free base

>  <CAS> (831)
1792180-81-4

>  <URL> (831)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
2-D08.cdx
csChFnd80/10202016042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
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 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (832)
832

>  <Formula> (832)
C15H10O5

>  <MolWeight> (832)
270.2369

>  <Cat> (832)
S8696

>  <Name> (832)
2-D08
2-D08

>  <Synonyms> (832)
2',3',4'-trihydroxy flavone

>  <Target> (832)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (832)
free base

>  <CAS> (832)
144707-18-6

>  <URL> (832)
http://selleckchem.com/products/2-d08.html

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/10202016042D

 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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    3.9140    6.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7457    7.7696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    8.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3871    7.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6419    9.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2834    8.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1559    7.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7952    9.9058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6441    6.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167    5.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9011    5.3183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4130    6.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5404    7.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0049    3.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7018    4.3188    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3080    3.2951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4931    2.5039    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 27 22  1  0  0  0  0
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 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
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M  END
>  <Mol_ID> (833)
833

>  <Formula> (833)
C26H23F4N9O

>  <MolWeight> (833)
553.5141328

>  <Cat> (833)
S7812

>  <Name> (833)
Itacitinib (INCB39110)

>  <Synonyms> (833)
N/A

>  <Target> (833)
JAK

>  <Form> (833)
free base

>  <CAS> (833)
1334298-90-6

>  <URL> (833)
http://selleckchem.com/produ-------------------cts/itacitinib-incb39110.html

$$$$
S5045 Nomilin.cdx
csChFnd80/10202016042D

 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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M  END
>  <Mol_ID> (834)
834

>  <Formula> (834)
C28H34O9

>  <MolWeight> (834)
514.56416

>  <Cat> (834)
S5045

>  <Name> (834)
Nomilin

>  <Synonyms> (834)
N/A

>  <Target> (834)
Others

>  <Form> (834)
free base

>  <CAS> (834)
1063-77-0

>  <URL> (834)
http://selleckchem.com/products/nomilin.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/10202016042D

 34 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (835)
835

>  <Formula> (835)
C21H17ClF4N4O4

>  <MolWeight> (835)
500.8306928

>  <Cat> (835)
S5077

>  <Name> (835)
Regorafenib Monohydrate

>  <Synonyms> (835)
N/A

>  <Target> (835)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (835)
monohydrate

>  <CAS> (835)
1019206-88-2

>  <URL> (835)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
S5084 Carbazochrome.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (836)
836

>  <Formula> (836)
C10H12N4O3

>  <MolWeight> (836)
236.22728

>  <Cat> (836)
S5084

>  <Name> (836)
Carbazochrome

>  <Synonyms> (836)
Adedolon, Adchnon, Adrenostazin, Cromadrenal, Adona, AC-17

>  <Target> (836)
Others

>  <Form> (836)
free base

>  <CAS> (836)
69-81-8

>  <URL> (836)
http://selleckchem.com/products/carbazochrome.html

$$$$
S5093 Rafoxanide.cdx
csChFnd80/10202016042D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (837)
837

>  <Formula> (837)
C19H11Cl2I2NO3

>  <MolWeight> (837)
626.01048

>  <Cat> (837)
S5093

>  <Name> (837)
Rafoxanide

>  <Synonyms> (837)
Disalan, Ranide, Flukanide, Bovanide

>  <Target> (837)
Anti-infection

>  <Form> (837)
free base

>  <CAS> (837)
22662-39-1

>  <URL> (837)
http://selleckchem.com/products/rafoxanide.html

$$$$
BGB-3111.cdx
csChFnd80/10202016042D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (838)
838

>  <Formula> (838)
C24H25N5O3

>  <MolWeight> (838)
431.487

>  <Cat> (838)
S8542

>  <Name> (838)
Btk inhibitor 2

>  <Synonyms> (838)
N/A

>  <Target> (838)
BTK

>  <Form> (838)
free base

>  <CAS> (838)
1558036-85-3

>  <URL> (838)
http://selleckchem.com/products/btk-inhibitor-2.html

$$$$
kira6.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (839)
839

>  <Formula> (839)
C28H25F3N6O

>  <MolWeight> (839)
518.5329096

>  <Cat> (839)
S8658

>  <Name> (839)
kira6

>  <Synonyms> (839)
N/A

>  <Target> (839)
Others

>  <CAS> (839)
1589527-65-0

>  <URL> (839)
http://selleckchem.com/products/kira6.html

$$$$
SNS-314.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (840)
840

>  <Formula> (840)
C18H15ClN6OS2

>  <MolWeight> (840)
430.9343

>  <Cat> (840)
S8699

>  <Name> (840)
SNS-314 Mesylate

>  <Synonyms> (840)
N/A

>  <Target> (840)
Aurora Kinase

>  <CAS> (840)
1057249-41-8

>  <URL> (840)
http://selleckchem.com/products/sns-314.html

$$$$
BMS-935177.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (841)
841

>  <Formula> (841)
C31H26N4O3

>  <MolWeight> (841)
502.56314

>  <Cat> (841)
S8348

>  <Name> (841)
BMS-935177

>  <Synonyms> (841)
N/A

>  <Target> (841)
BTK,Trk receptor,c-RET

>  <Form> (841)
free base

>  <CAS> (841)
1231889-53-4

>  <URL> (841)
http://selleckchem.com/products/bms-935177.html

$$$$
KPT-9274.cdx
csChFnd80/10202016042D

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842

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C35H29F3N4O3

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NAMPT,PAK

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free base

>  <CAS> (842)
1643913-93-2

>  <URL> (842)
http://selleckchem.com/products/kpt-9274.html

$$$$
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csChFnd80/10202016042D

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843

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C20H18ClF2N5O3

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>  <Name> (843)
Asciminib (ABL001)

>  <Synonyms> (843)
N/A

>  <Target> (843)
Bcr-Abl

>  <Form> (843)
free base

>  <CAS> (843)
1492952-76-7

>  <URL> (843)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/10202016042D

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C23H18FN5O2

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>  <Name> (844)
Tenalisib (RP6530)

>  <Synonyms> (844)
N/A

>  <Target> (844)
PI3K

>  <Form> (844)
free base

>  <CAS> (844)
1639417-53-0

>  <URL> (844)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
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M  END
>  <Mol_ID> (845)
845

>  <Formula> (845)
C20H20ClN5O2

>  <MolWeight> (845)
397.8581

>  <Cat> (845)
S8685

>  <Name> (845)
AS1517499

>  <Synonyms> (845)
N/A

>  <Target> (845)
STAT

>  <Form> (845)
free base

>  <CAS> (845)
919486-40-1

>  <URL> (845)
http://selleckchem.com/products/as1517499.html

$$$$
RAF709.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (846)
846

>  <Formula> (846)
C28H29F3N4O4

>  <MolWeight> (846)
542.5494696

>  <Cat> (846)
S8690

>  <Name> (846)
RAF709

>  <Synonyms> (846)
N/A

>  <Target> (846)
Raf

>  <Form> (846)
free base

>  <CAS> (846)
1628838-42-5

>  <URL> (846)
http://selleckchem.com/products/raf709.html

$$$$
S5232 Alectinib hydrochloride.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (847)
847

>  <Formula> (847)
C30H35ClN4O2

>  <MolWeight> (847)
519.0775

>  <Cat> (847)
S5232

>  <Name> (847)
Alectinib hydrochloride

>  <Synonyms> (847)
AF802 hydrochloride

>  <Target> (847)
ALK

>  <Form> (847)
hydrochloride 

>  <CAS> (847)
1256589-74-8

>  <URL> (847)
http://selleckchem.com/products/alectinib-hydrochloride.html

$$$$
S5060 Metadoxine.cdx
csChFnd80/10202016042D

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  3  5  1  0  0  0  0
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 12  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
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M  END
>  <Mol_ID> (848)
848

>  <Formula> (848)
C13H18N2O6

>  <MolWeight> (848)
298.29182

>  <Cat> (848)
S5060

>  <Name> (848)
 Metadoxine

>  <Synonyms> (848)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (848)
Others

>  <Form> (848)
salt

>  <CAS> (848)
74536-44-0

>  <URL> (848)
http://selleckchem.com/products/metadoxine.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/10202016042D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (849)
849

>  <Formula> (849)
C10H16N5O8P

>  <MolWeight> (849)
365.236501

>  <Cat> (849)
S5284

>  <Name> (849)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (849)
5'-Adenylic acid, 5'-AMP

>  <Target> (849)
AMPK

>  <Form> (849)
hydrate 

>  <CAS> (849)
18422-05-4

>  <URL> (849)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5321 Y15.cdx
csChFnd80/10202016042D

 14 10  0  0  0  0  0  0  0  0999 V2000
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    7.1296    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7510    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (850)
850

>  <Formula> (850)
C6H14Cl4N4

>  <MolWeight> (850)
284.01416

>  <Cat> (850)
S5321

>  <Name> (850)
Y15

>  <Synonyms> (850)
1,2,4,5-Benzenetetraamine tetrahydrochloride

>  <Target> (850)
FAK

>  <Form> (850)
tetrahydrochloride 

>  <CAS> (850)
4506-66-5

>  <URL> (850)
http://selleckchem.com/products/y15.html

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/10202016042D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  5  1  0  0  0  0
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 14 10  2  0  0  0  0
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M  END
>  <Mol_ID> (851)
851

>  <Formula> (851)
C17H21N6O4P

>  <MolWeight> (851)
404.360201

>  <Cat> (851)
S5243

>  <Name> (851)
Ruxolitinib Phosphate

>  <Synonyms> (851)
INCB018424, INC424

>  <Target> (851)
JAK

>  <Form> (851)
phosphate 

>  <CAS> (851)
1092939-17-7

>  <URL> (851)
http://selleckchem.com/products/ruxolitinib-phosphate.html

$$$$
S5313 SC66.cdx
csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (852)
852

>  <Formula> (852)
C18H16N2O

>  <MolWeight> (852)
276.33244

>  <Cat> (852)
S5313

>  <Name> (852)
SC66

>  <Synonyms> (852)
N/A

>  <Target> (852)
Akt

>  <Form> (852)
free base

>  <CAS> (852)
871361-88-5

>  <URL> (852)
http://selleckchem.com/products/sc66.html

$$$$
S5316 NU2058.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (853)
853

>  <Formula> (853)
C12H17N5O

>  <MolWeight> (853)
247.29628

>  <Cat> (853)
S5316

>  <Name> (853)
NU2058

>  <Synonyms> (853)
O(6)-Cyclohexylmethylguanine

>  <Target> (853)
CDK

>  <Form> (853)
free base

>  <CAS> (853)
161058-83-9

>  <URL> (853)
http://selleckchem.com/products/nu2058.html

$$$$
AZD1390.cdx
csChFnd80/10202016042D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (854)
854

>  <Formula> (854)
C27H32FN5O2

>  <MolWeight> (854)
477.5736832

>  <Cat> (854)
S8680

>  <Name> (854)
AZD1390

>  <Synonyms> (854)
N/A

>  <Target> (854)
ATM/ATR

>  <Form> (854)
free base

>  <CAS> (854)
2089288-03-7

>  <URL> (854)
http://selleckchem.com/products/azd1390.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/10202016042D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (855)
855

>  <Formula> (855)
C22H25Cl2FN4O3

>  <MolWeight> (855)
483.3633032

>  <Cat> (855)
S5098

>  <Name> (855)
Gefitinib hydrochloride

>  <Synonyms> (855)
ZD1839 hydrochloride

>  <Target> (855)
EGFR

>  <Form> (855)
hydrochloride 

>  <CAS> (855)
184475-55-6

>  <URL> (855)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (856)
856

>  <Formula> (856)
C23H26ClN

>  <MolWeight> (856)
351.91224

>  <Cat> (856)
S5279

>  <Name> (856)
Fendiline hydrochloride

>  <Synonyms> (856)
N/A

>  <Target> (856)
Calcium Channel,Ras

>  <Form> (856)
hydrochloride 

>  <CAS> (856)
13636-18-5

>  <URL> (856)
http://selleckchem.com/products/fendiline-hydrochloride.html

$$$$
GSK'963.cdx
csChFnd80/10202016042D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (857)
857

>  <Formula> (857)
C14H18N2O

>  <MolWeight> (857)
230.30552

>  <Cat> (857)
S8642

>  <Name> (857)
GSK'963

>  <Synonyms> (857)
N/A

>  <Target> (857)
NF-¦ÊB,TNF-alpha

>  <Form> (857)
free base

>  <CAS> (857)
2049868-46-2

>  <URL> (857)
http://selleckchem.com/products/gsk963.html

$$$$
bpV (HOpic).cdx
csChFnd80/10202016042D

 18 19  0  0  0  0  0  0  0  0999 V2000
   13.5013    3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (858)
858

>  <Formula> (858)
C6H4K2NO8V

>  <MolWeight> (858)
347.23596

>  <Cat> (858)
S8651

>  <Name> (858)
bpV (HOpic)

>  <Synonyms> (858)
Bisperoxovanadium(HOpic)

>  <Target> (858)
PTEN

>  <Form> (858)
potassium 

>  <CAS> (858)
722494-26-0

>  <URL> (858)
http://selleckchem.com/products/bpv-hopic.html

$$$$
Anlotinib (AL3818).cdx
csChFnd80/10202016042D

 32 34  0  0  0  0  0  0  0  0999 V2000
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   12.6499    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> (859)
859

>  <Formula> (859)
C23H24Cl2FN3O3

>  <MolWeight> (859)
480.3593632

>  <Cat> (859)
S8726

>  <Name> (859)
Anlotinib (AL3818) dihydrochloride

>  <Synonyms> (859)
N/A

>  <Target> (859)
VEGFR

>  <Form> (859)
dihydrochloride 

>  <CAS> (859)
1360460-82-7

>  <URL> (859)
http://selleckchem.com/products/anlotinib-al3818.html

$$$$
DCC-2618.cdx
csChFnd80/10202016042D

 36 40  0  0  0  0  0  0  0  0999 V2000
    4.8205    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (860)
860

>  <Formula> (860)
C26H21F2N5O3

>  <MolWeight> (860)
489.4734464

>  <Cat> (860)
S8721

>  <Name> (860)
DCC-2618

>  <Synonyms> (860)
N/A

>  <Target> (860)
c-Kit

>  <CAS> (860)
 1225278-16-9

>  <URL> (860)
http://selleckchem.com/products/dcc-2618.html

$$$$
FGF401.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (861)
861

>  <Formula> (861)
C25H30N8O4

>  <MolWeight> (861)
506.5569

>  <Cat> (861)
S8548

>  <Name> (861)
FGF401

>  <Synonyms> (861)
N/A

>  <Target> (861)
FGFR

>  <Form> (861)
free base

>  <CAS> (861)
1708971-55-4

>  <URL> (861)
http://selleckchem.com/products/fgf401.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (862)
862

>  <Formula> (862)
C21H28O2

>  <MolWeight> (862)
312.44582

>  <Cat> (862)
S3792

>  <Name> (862)
Guggulsterone E&Z

>  <Synonyms> (862)
N/A

>  <Target> (862)
FXR

>  <Form> (862)
free base

>  <CAS> (862)
95975-55-6

>  <URL> (862)
http://selleckchem.com/products/guggulsterone.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/10202016042D

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 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> (863)
863

>  <Formula> (863)
C24H24F3N5O5S3

>  <MolWeight> (863)
615.6680696

>  <Cat> (863)
S5069

>  <Name> (863)
Dabrafenib Mesylate

>  <Synonyms> (863)
GSK2118436 Mesylate

>  <Target> (863)
Raf

>  <Form> (863)
mesylate

>  <CAS> (863)
1195768-06-9

>  <URL> (863)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/10202016042D

 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> (864)
864

>  <Formula> (864)
C33H39N5O7S

>  <MolWeight> (864)
649.75706

>  <Cat> (864)
S5234

>  <Name> (864)
Nintedanib Ethanesulfonate Salt

>  <Synonyms> (864)
Intedanib, BIBF 1120

>  <Target> (864)
VEGFR,FGFR,PDGFR

>  <Form> (864)
ethanesulfonate 

>  <CAS> (864)
656247-18-6

>  <URL> (864)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/10202016042D

 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> (865)
865

>  <Formula> (865)
C29H31FN4O7

>  <MolWeight> (865)
566.5774432

>  <Cat> (865)
S5242

>  <Name> (865)
Cediranib Maleate

>  <Synonyms> (865)
AZD-2171 maleate

>  <Target> (865)
VEGFR

>  <Form> (865)
maleate

>  <CAS> (865)
 857036-77-2

>  <URL> (865)
http://selleckchem.com/products/cediranib-maleate.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/10202016042D

 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> (866)
866

>  <Formula> (866)
C22H42O2

>  <MolWeight> (866)
338.56768

>  <Cat> (866)
S5383

>  <Name> (866)
Erucic acid

>  <Synonyms> (866)
cis-13-docosenoic acid

>  <Target> (866)
Others

>  <Form> (866)
free base

>  <CAS> (866)
112-86-7

>  <URL> (866)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/10202016042D

  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> (867)
867

>  <Formula> (867)
C3H3BrO3

>  <MolWeight> (867)
166.95812

>  <Cat> (867)
S5426

>  <Name> (867)
Bromopyruvic acid

>  <Synonyms> (867)
3-Bromopyruvic acid, 3-Bromopyruvate

>  <Target> (867)
Others

>  <Form> (867)
free base

>  <CAS> (867)
1113-59-3

>  <URL> (867)
http://selleckchem.com/products/bromopyruvic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/10202016042D

 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> (868)
868

>  <Formula> (868)
C8H6BrN

>  <MolWeight> (868)
196.04394

>  <Cat> (868)
S5439

>  <Name> (868)
5-Bromoindole

>  <Synonyms> (868)
N/A

>  <Target> (868)
GSK-3

>  <Form> (868)
free base

>  <CAS> (868)
10075-50-0

>  <URL> (868)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/10202016042D

 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> (869)
869

>  <Formula> (869)
C11H12O4

>  <MolWeight> (869)
208.21058

>  <Cat> (869)
S5451

>  <Name> (869)
Ferulic acid methyl ester

>  <Synonyms> (869)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (869)
Immunology & Inflammation related

>  <Form> (869)
free base

>  <CAS> (869)
149567

>  <URL> (869)
http://selleckchem.com/products/ferulic-acid-methylester.html

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/10202016042D

 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> (870)
870

>  <Formula> (870)
C20H14ClNO4

>  <MolWeight> (870)
367.78246

>  <Cat> (870)
S5452

>  <Name> (870)
Sanguinarine chloride

>  <Synonyms> (870)
N/A

>  <Target> (870)
phosphatase

>  <Form> (870)
chloride 

>  <CAS> (870)
5578-73-4

>  <URL> (870)
http://selleckchem.com/products/sanguinarine-chloride.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/10202016042D

 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> (871)
871

>  <Formula> (871)
C20H20O4

>  <MolWeight> (871)
324.3704

>  <Cat> (871)
S5456

>  <Name> (871)
Isobavachalcone

>  <Synonyms> (871)
Corylifolinin

>  <Target> (871)
Anti-infection

>  <Form> (871)
free base

>  <CAS> (871)
20784-50-3

>  <URL> (871)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/10202016042D

 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> (872)
872

>  <Formula> (872)
C22H26O11

>  <MolWeight> (872)
466.43524

>  <Cat> (872)
S5457

>  <Name> (872)
Curculigoside

>  <Synonyms> (872)
Curculigoside A

>  <Target> (872)
Immunology & Inflammation related

>  <Form> (872)
free base

>  <CAS> (872)
85643-19-2

>  <URL> (872)
http://selleckchem.com/products/curculigoside.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/10202016042D

 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
    4.8497    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258    7.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    8.4089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    7.7088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    6.3081    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9127    5.6077    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1259    6.3082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4868    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6985    3.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.2081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2685    3.5047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2685    2.0984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4837    1.3968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9036    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6138    8.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6133    5.6060    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
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
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  3  6  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  1  0  0  0
 25 28  1  6  0  0  0
 24 29  1  1  0  0  0
 23 30  1  1  0  0  0
 22 20  1  6  0  0  0
 17 20  1  1  0  0  0
 31 32  1  0  0  0  0
 15 31  1  1  0  0  0
 18 33  1  6  0  0  0
 35 36  1  0  0  0  0
 34 35  1  0  0  0  0
 37 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 42  1  0  0  0  0
 37 42  2  0  0  0  0
 40 43  1  0  0  0  0
 39 44  1  0  0  0  0
 36 37  1  0  0  0  0
 19 34  1  1  0  0  0
 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (873)
873

>  <Formula> (873)
C29H36O15

>  <MolWeight> (873)
624.58714

>  <Cat> (873)
S5458

>  <Name> (873)
Verbascoside

>  <Synonyms> (873)
Acteoside, Kusaginin

>  <Target> (873)
Immunology & Inflammation related

>  <Form> (873)
free base

>  <CAS> (873)
61276-17-3

>  <URL> (873)
http://selleckchem.com/products/verbascoside.html

$$$$
S5464 Psoralidin.cdx
csChFnd80/10202016042D

 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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    0.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2680    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2618    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4674    0.0029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6759    0.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6759    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7689    4.1653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1572    4.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7210    3.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1086    2.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417    3.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3787    5.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9821    5.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8884    0.0006    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
   13.2093    6.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  5  4  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 18  2  0  0  0  0
  8 10  1  0  0  0  0
 11  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  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
 16 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (874)
874

>  <Formula> (874)
C20H16O5

>  <MolWeight> (874)
336.33804

>  <Cat> (874)
S5464

>  <Name> (874)
Psoralidin

>  <Synonyms> (874)
N/A

>  <Target> (874)
Estrogen/progestogen Receptor

>  <Form> (874)
free base

>  <CAS> (874)
18642-23-4

>  <URL> (874)
http://selleckchem.com/products/psoralidin.html

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/10202016042D

 42 46  0  0  0  0  0  0  0  0999 V2000
    1.2084    7.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2073    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    5.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492    7.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    8.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    5.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0710    6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0711    7.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8544    8.4091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    4.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    8.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4960    7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7140    8.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.4119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    5.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    4.2038    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0709    3.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0712    2.1042    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2740    1.3979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4951    2.0992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4968    3.4992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7052    4.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740    0.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8628    1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7034    1.4016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9143    3.4988    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9117    2.0983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1233    1.3953    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3426    2.0974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3435    3.4974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1249    4.2012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5510    1.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1249    5.5965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5519    4.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8628    0.0132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
  8 21  1  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 27 28  1  6  0  0  0
 25 29  1  6  0  0  0
 24 30  1  1  0  0  0
 26 31  1  1  0  0  0
 32 28  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 35 38  1  1  0  0  0
 34 39  1  6  0  0  0
 37 40  1  6  0  0  0
 36 41  1  6  0  0  0
 30 42  1  0  0  0  0
M  END
>  <Mol_ID> (875)
875

>  <Formula> (875)
C27H30O15

>  <MolWeight> (875)
594.5181

>  <Cat> (875)
S5468

>  <Name> (875)
Kaempferol-3-O-glucorhamnoside

>  <Synonyms> (875)
Kaempferol 3-neohesperidoside

>  <Target> (875)
Others

>  <Form> (875)
salt

>  <CAS> (875)
40437-72-7

>  <URL> (875)
http://selleckchem.com/products/kaempferol-3-o-glucorhamnoside.html

$$$$
S5516 Ellagic Acid, Dihydrate.cdx
csChFnd80/10202016042D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6391    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    4.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    3.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    5.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    2.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671    6.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0030    4.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    5.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    3.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4900    6.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7064    0.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  2  0  0  0  0
  9 11  1  0  0  0  0
 10 15  2  0  0  0  0
 12 18  2  0  0  0  0
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 13 20  2  0  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (876)
876

>  <Formula> (876)
C14H8O9

>  <MolWeight> (876)
320.20792

>  <Cat> (876)
S5516

>  <Name> (876)
Ellagic Acid hydrate

>  <Synonyms> (876)
N/A

>  <Target> (876)
Casein Kinase

>  <Form> (876)
monohydrate 

>  <CAS> (876)
 314041-08-2

>  <URL> (876)
http://selleckchem.com/products/ellagic-acid-hydrate.html

$$$$
S5529 Galangin.cdx
csChFnd80/10202016042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6432    4.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    2.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    4.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    2.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    2.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    4.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    6.2592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    4.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    6.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2590    4.8593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2658    2.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832    0.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4718    2.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6858    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7180    0.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (877)
877

>  <Formula> (877)
C15H10O5

>  <MolWeight> (877)
270.2369

>  <Cat> (877)
S5529

>  <Name> (877)
Galangin

>  <Synonyms> (877)
3,5,7-trihydroxyflavone; Norizalpinin

>  <Target> (877)
P450 (e.g. CYP17)

>  <Form> (877)
free base

>  <CAS> (877)
548-83-4

>  <URL> (877)
http://selleckchem.com/products/galangin.html

$$$$
S5534 Cinchocaine.cdx
csChFnd80/10202016042D

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.4247    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490    2.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    2.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6322    4.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    2.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2011    4.2121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2223    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    4.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0764    2.8244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    0.7264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    6.3222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    2.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    7.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5002    2.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    8.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    2.1259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351    9.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9245    2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    0.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1367    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9244    0.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
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 21 24  1  0  0  0  0
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M  END
>  <Mol_ID> (878)
878

>  <Formula> (878)
C20H29N3O2

>  <MolWeight> (878)
343.46316

>  <Cat> (878)
S5534

>  <Name> (878)
Cinchocaine

>  <Synonyms> (878)
Dibucaine

>  <Target> (878)
Others

>  <Form> (878)
free base

>  <CAS> (878)
85-79-0

>  <URL> (878)
http://selleckchem.com/products/cinchocaine.html

$$$$
S5588 Creatine.cdx
csChFnd80/10202016042D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 N   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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (879)
879

>  <Formula> (879)
C4H9N3O2

>  <MolWeight> (879)
131.13316

>  <Cat> (879)
S5588

>  <Name> (879)
Creatine

>  <Synonyms> (879)
Methylguanidoacetic acid

>  <Target> (879)
Others

>  <Form> (879)
free base

>  <CAS> (879)
57-00-1

>  <URL> (879)
http://selleckchem.com/products/creatine.html

$$$$
UM-164.cdx
csChFnd80/10202016042D

 45 49  0  0  0  0  0  0  0  0999 V2000
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    8.4870    6.9418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784    7.0724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    8.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    9.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    9.0342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    7.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1305    9.0991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5228    8.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    7.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
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 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
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 39  7  1  0  0  0  0
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 41 42  1  0  0  0  0
 34 43  1  0  0  0  0
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M  END
>  <Mol_ID> (880)
880

>  <Formula> (880)
C30H31F3N8O3S

>  <MolWeight> (880)
640.6791496

>  <Cat> (880)
S8706

>  <Name> (880)
UM-164

>  <Synonyms> (880)
N/A

>  <Target> (880)
Src,p38 MAPK

>  <Form> (880)
free base

>  <CAS> (880)
903564-48-7

>  <URL> (880)
http://selleckchem.com/products/um-164.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/10202016042D

 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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M  END
>  <Mol_ID> (881)
881

>  <Formula> (881)
C28H23ClF3N7O

>  <MolWeight> (881)
565.9767296

>  <Cat> (881)
S5205

>  <Name> (881)
Nilotinib hydrochloride

>  <Synonyms> (881)
AMN-107 HCl

>  <Target> (881)
Bcr-Abl

>  <Form> (881)
hydrochloride 

>  <CAS> (881)
923288-95-3

>  <URL> (881)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/10202016042D

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    0.0000    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (882)
882

>  <Formula> (882)
C22H23ClN4O7S

>  <MolWeight> (882)
522.95862

>  <Cat> (882)
S5240

>  <Name> (882)
lenvatinib Mesylate

>  <Synonyms> (882)
N/A

>  <Target> (882)
VEGFR

>  <Form> (882)
Mesylate

>  <CAS> (882)
 857890-39-2

>  <URL> (882)
http://selleckchem.com/products/lenvatinib-mesylate.html

$$$$
S5265 TBB.cdx
csChFnd80/10202016042D

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    0.0000    1.3902    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2006    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
  4  2  1  0  0  0  0
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  6  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
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 13  6  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
>  <Mol_ID> (883)
883

>  <Formula> (883)
C6HBr4N3

>  <MolWeight> (883)
434.70824

>  <Cat> (883)
S5265

>  <Name> (883)
TBB

>  <Synonyms> (883)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (883)
Casein Kinase

>  <CAS> (883)
17374-26-4

>  <URL> (883)
http://selleckchem.com/products/tbb.html

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/10202016042D

 34 36  0  0  0  0  0  0  0  0999 V2000
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    8.9877    8.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8905    7.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2801    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  0  0  0  0
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 18 21  2  0  0  0  0
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 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (884)
884

>  <Formula> (884)
C22H28FN4O6P

>  <MolWeight> (884)
494.4530842

>  <Cat> (884)
S5272

>  <Name> (884)
Toceranib phosphate

>  <Synonyms> (884)
SU11654

>  <Target> (884)
PDGFR¦Â

>  <Form> (884)
phosphate 

>  <CAS> (884)
874819-74-6

>  <URL> (884)
http://selleckchem.com/products/.html

$$$$
ARQ 531.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (885)
885

>  <Formula> (885)
C25H23ClN4O4

>  <MolWeight> (885)
478.92752

>  <Cat> (885)
S8711

>  <Name> (885)
ARQ 531

>  <Synonyms> (885)
N/A

>  <Target> (885)
BTK

>  <Form> (885)
free base

>  <CAS> (885)
2095393-15-8

>  <URL> (885)
http://selleckchem.com/products/.html

$$$$
CCT245737.cdx
csChFnd80/10202016042D

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 13  8  1  0  0  0  0
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  1 17  1  0  0  0  0
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 22 21  1  1  0  0  0
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 14 15  3  0  0  0  0
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 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (886)
886

>  <Formula> (886)
C16H16F3N7O

>  <MolWeight> (886)
379.3397496

>  <Cat> (886)
S8253

>  <Name> (886)
CCT245737 

>  <Synonyms> (886)
N/A

>  <Target> (886)
Chk

>  <Form> (886)
free base

>  <CAS> (886)
1489389-18-5

>  <URL> (886)
http://www.selleckchem.com/products/cct245737.html

$$$$
S5542 7-Nitroindazole.cdx
csChFnd80/10202016042D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    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
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (887)
887

>  <Formula> (887)
C7H5N3O2

>  <MolWeight> (887)
163.1335

>  <Cat> (887)
S5542

>  <Name> (887)
7-Nitroindazole

>  <Synonyms> (887)
N/A

>  <Target> (887)
neuronal?nitric oxide synthase

>  <Form> (887)
free base

>  <CAS> (887)
2942-42-9

>  <URL> (887)
http://selleckchem.com/products/.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/10202016042D

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    3.6373    4.2000    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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 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
    7.2746    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
    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 N   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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 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
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 37  8  1  0  0  0  0
  7 38  1  0  0  0  0
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 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
M  END
>  <Mol_ID> (888)
888

>  <Formula> (888)
C30H34N8O3

>  <MolWeight> (888)
554.64276

>  <Cat> (888)
S8724

>  <Name> (888)
Lazertinib (YH25448,GNS-1480)

>  <Form> (888)
free base

>  <CAS> (888)
1903008-80-9

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/10202016042D

 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
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    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
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (889)
889

>  <Formula> (889)
C9H10O5

>  <MolWeight> (889)
198.1727

>  <Cat> (889)
S5550

>  <Name> (889)
Ethyl gallate

>  <Synonyms> (889)
N/A

>  <Target> (889)
NF-¦ÊB

>  <CAS> (889)
831-61-8

>  <URL> (889)
http://selleckchem.com/products/.html

$$$$
S9361 Coumarin-3-carboxylic acid.cdx
csChFnd80/10202016042D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4354    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (890)
890

>  <Formula> (890)
C10H6O4

>  <MolWeight> (890)
190.15224

>  <Cat> (890)
S9361

>  <Name> (890)
Coumarin-3-carboxylic acid

>  <Form> (890)
free base

>  <CAS> (890)
531-81-7

$$$$
S9366 5'-Adenylic acid.cdx
csChFnd80/10202016042D

 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
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    9.8960    1.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6017    2.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6092    0.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 12 18  2  0  0  0  0
  9 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
>  <Mol_ID> (891)
891

>  <Formula> (891)
C10H14N5O7P

>  <MolWeight> (891)
347.221221

>  <Cat> (891)
S9366

>  <Name> (891)
5'-Adenylic acid

>  <Form> (891)
free base

>  <CAS> (891)
61-19-8

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/10202016042D

 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> (892)
892

>  <Formula> (892)
C8H8O3

>  <MolWeight> (892)
152.14732

>  <Cat> (892)
S9374

>  <Name> (892)
2',5'-Dihydroxyacetophenone

>  <CAS> (892)
490-78-8

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/10202016042D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4329    2.0759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6508    2.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2146    2.7692    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4329    0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    4.1553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8656    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    4.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    4.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8861    4.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    7.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    6.9860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    3.6098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    1.3211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    1.4068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    5.6205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4809    2.6481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 19  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  1  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (893)
893

>  <Formula> (893)
C15H24N2O2

>  <MolWeight> (893)
264.36326

>  <Cat> (893)
S9384

>  <Name> (893)
Sophocarpine Monohydrate

>  <Form> (893)
free base

>  <CAS> (893)
 145572-44-7

$$$$
S9393 (4S)-4-Hydroxy-L-isoleucine.cdx
csChFnd80/10202016042D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (894)
894

>  <Formula> (894)
C6H13NO3

>  <MolWeight> (894)
147.17232

>  <Cat> (894)
S9393

>  <Name> (894)
(4S)-4-Hydroxy-L-isoleucine

>  <Form> (894)
free base

>  <CAS> (894)
55399-93-4

$$$$
S9406 Sauchinone.cdx
csChFnd80/10202016042D

 29 34  0  0  0  0  0  0  0  0999 V2000
    8.3135    6.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5221    5.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440    4.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375    3.4814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0096    4.1903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0096    5.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2375    2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181    1.3973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8023    2.0992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8023    3.5079    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5884    4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5884    5.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8116    6.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3730    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1718    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1718    5.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3682    6.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8306    3.7373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8147    6.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4185    6.8339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1195    7.6871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7584    7.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6712    3.4696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5887    2.8072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4347    2.7902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7975    4.8901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
  6 21  1  6  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 23  1  0  0  0  0
  3 24  2  0  0  0  0
 10 25  1  6  0  0  0
  9 26  1  6  0  0  0
  4 27  1  1  0  0  0
  8 28  1  1  0  0  0
  5 29  1  6  0  0  0
M  END
>  <Mol_ID> (895)
895

>  <Formula> (895)
C20H20O6

>  <MolWeight> (895)
356.3692

>  <Cat> (895)
S9406

>  <Name> (895)
Sauchinone

>  <CAS> (895)
177931-17-8

$$$$
S9414 Cyasterone.cdx
csChFnd80/10202016042D

 40 44  0  0  0  0  0  0  0  0999 V2000
    7.3112    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1113    3.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    5.5776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6034    3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    2.8877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1113    2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6231    6.0456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1113    6.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    6.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4670    4.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786    3.5009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8982    5.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0056    7.3708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6786    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4524    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786    4.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3438    7.6939    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5881    7.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5506    8.6102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524    1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    3.5009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2998    6.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0197    4.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6580    6.9224    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.4307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9171    6.3884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7632    8.2805    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8995    7.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2402    4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2007    8.5639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7086    9.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3366    7.2058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    2.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6589    0.5539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0231    6.0456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3246    9.0299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  1  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 37  1  6  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  1  0  0  0
 14 19  2  0  0  0  0
 14 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  6  0  0  0
 15 22  1  1  0  0  0
 16 23  1  0  0  0  0
 16 38  1  1  0  0  0
 17 24  1  0  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  1  0  0  0
 24 26  1  0  0  0  0
 28 25  1  6  0  0  0
 26 29  1  1  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  1  0  0  0
 31 34  1  0  0  0  0
 31 35  1  1  0  0  0
 32 36  2  0  0  0  0
 32 34  1  0  0  0  0
  8 39  1  6  0  0  0
 20 40  1  6  0  0  0
M  END
>  <Mol_ID> (896)
896

>  <Formula> (896)
C29H44O8

>  <MolWeight> (896)
520.65486

>  <Cat> (896)
S9414

>  <Name> (896)
Cyasterone

>  <Form> (896)
free base

>  <CAS> (896)
17086-76-9

$$$$
S9431 Dehydrocorydalin.cdx
csChFnd80/10202016042D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.2697    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2697    2.8121    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0490    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6813    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    6.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0490    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0490    6.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9020    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6813    2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6813    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9020    6.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6669    8.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1225    6.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4561    9.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1225    8.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1913    2.1091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8364    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  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  2  0  0  0  0
  9 14  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 22  2  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (897)
897

>  <Formula> (897)
C22H24NO4+

>  <MolWeight> (897)
366.43026

>  <Cat> (897)
S9431

>  <Name> (897)
Dehydrocorydalin

>  <Form> (897)
free base

>  <CAS> (897)
30045-16-0

$$$$

csChFnd80/10202016042D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4110    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6228    2.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    3.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3950    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6206    3.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8352    1.4027    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    4.1781    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8330    4.1949    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    5.5854    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (898)
898

>  <Formula> (898)
C6H6Br6

>  <MolWeight> (898)
557.53584

>  <Cat> (898)
S5902

>  <Name> (898)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (898)
NSC7908

>  <Target> (898)
JAK

>  <Form> (898)
Free Base

>  <CAS> (898)
1837-91-8

>  <URL> (898)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (899)
899

>  <Formula> (899)
C16H15N3O3

>  <MolWeight> (899)
297.3086

>  <Cat> (899)
S5903

>  <Name> (899)
JANEX-1

>  <Synonyms> (899)
WHI-P131

>  <Target> (899)
JAK

>  <Form> (899)
Free Base

>  <CAS> (899)
202475-60-3

>  <URL> (899)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/10202016042D

 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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    3.6557    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9368    4.1992    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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   10.9361    6.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (900)
900

>  <Formula> (900)
C16H13Br2N3O3

>  <MolWeight> (900)
455.10072

>  <Cat> (900)
S5904

>  <Name> (900)
WHI-P97

>  <Synonyms> (900)
N/A

>  <Target> (900)
JAK

>  <Form> (900)
Free Base

>  <CAS> (900)
211555-05-4

>  <URL> (900)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/10202016042D

 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
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   10.5456    3.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7579    3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (901)
901

>  <Formula> (901)
C22H23N5O2

>  <MolWeight> (901)
389.45032

>  <Cat> (901)
S5917

>  <Name> (901)
Solcitinib

>  <Synonyms> (901)
GLPG0778, GSK2586184

>  <Target> (901)
JAK

>  <Form> (901)
Free Base

>  <CAS> (901)
1206163-45-2

>  <URL> (901)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/10202016042D

 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
    8.4927    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0553    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9176    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3425    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5549    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7673    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (902)
902

>  <Formula> (902)
C19H33NO2

>  <MolWeight> (902)
307.47082

>  <Cat> (902)
S5950

>  <Name> (902)
Fingolimod

>  <Form> (902)
Free Base

>  <CAS> (902)
162359-55-9

$$$$

csChFnd80/10202016042D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.7472    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7472    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9596    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9596    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5348    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3845    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3223    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3223    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1099    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8974    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8974    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1099    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7431    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4116    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    3.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    5.4555    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    4.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    6.8479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1333    0.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1099    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 17 24  1  0  0  0  0
 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (903)
903

>  <Formula> (903)
C17H16N4O2S2

>  <MolWeight> (903)
372.46454

>  <Cat> (903)
S7302

>  <Name> (903)
TEPP-46 (ML265, CID-44246499, NCGC00186528)

>  <Synonyms> (903)
N/A

>  <Target> (903)
PKM

>  <Form> (903)
Free Base

>  <CAS> (903)
1221186-53-3

>  <URL> (903)
http://www.selleckchem.com/products/tepp-46.html

$$$$

csChFnd80/10202016042D

 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
    2.6082    4.4040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   11.7935    5.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0996    5.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5323    6.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5955    7.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2261    7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2925    8.1243    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2991    3.3887    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.0332    3.9699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   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
 15 16  2  0  0  0  0
 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
 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
 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> (904)
904

>  <Formula> (904)
C25H21F3N6O3S

>  <MolWeight> (904)
542.5328496

>  <Cat> (904)
S7965

>  <Name> (904)
PLX8394

>  <Synonyms> (904)
N/A

>  <Target> (904)
Raf

>  <Form> (904)
Free Base

>  <CAS> (904)
1393466-87-9

>  <URL> (904)
http://www.selleckchem.com/products/plx8394.html

$$$$

csChFnd80/10202016042D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.4018    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4018    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    3.2474    1.4000    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
  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
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 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> (905)
905

>  <Formula> (905)
C16H20BrN5O

>  <MolWeight> (905)
378.2669

>  <Cat> (905)
S8526

>  <Name> (905)
GDC-0575 (ARRY-575, RG7741)

>  <Synonyms> (905)
N/A

>  <Target> (905)
Chk

>  <Form> (905)
Free Base

>  <CAS> (905)
1196541-47-5

>  <URL> (905)
http://www.selleckchem.com/products/gdc-0575.html

$$$$

csChFnd80/10202016042D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (906)
906

>  <Formula> (906)
C24H28N4O3

>  <MolWeight> (906)
420.50412

>  <Cat> (906)
S8556

>  <Name> (906)
AZ31

>  <Synonyms> (906)
N/A

>  <Target> (906)
ATM/ATR

>  <Form> (906)
Free Base

>  <CAS> (906)
2088113-98-6

>  <URL> (906)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/10202016042D

 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
    3.6373    3.5000    0.0000 N   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
    4.8497    5.6000    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
    1.2124    2.1000    0.0000 Cl  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
    6.0622    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
  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
 13 18  1  6  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
 20 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 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
 33 12  1  0  0  0  0
 30 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (907)
907

>  <Formula> (907)
C23H14ClF3N6O

>  <MolWeight> (907)
482.8450696

>  <Cat> (907)
S8560

>  <Name> (907)
Seletalisib (UCB-5857)

>  <Synonyms> (907)
N/A

>  <Target> (907)
PI3K

>  <Form> (907)
Free Base

>  <CAS> (907)
1362850-20-1

>  <URL> (907)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/10202016042D

 35 39  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    2.8000    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
    8.4870    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
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   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
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    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
   13.3368    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
   10.9119    4.2000    0.0000 N   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
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    4.9000    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
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   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 18  1  0  0  0  0
 19 25  1  1  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 30 31  1  0  0  0  0
  9 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (908)
908

>  <Formula> (908)
C29H29FN4O

>  <MolWeight> (908)
468.5651632

>  <Cat> (908)
S8609

>  <Name> (908)
Derazantinib(ARQ-087)

>  <Synonyms> (908)
N/A

>  <Target> (908)
FGFR

>  <Form> (908)
Free Base

>  <CAS> (908)
1234356-69-4

>  <URL> (908)
http://www.selleckchem.com/products/derazantinib.html

$$$$

csChFnd80/10202016042D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5793    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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    9.0902    4.7490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (909)
909

>  <Formula> (909)
C13H12ClN3O2

>  <MolWeight> (909)
277.70628

>  <Cat> (909)
S8641

>  <Name> (909)
Nec-1s (7-Cl-O-Nec1)

>  <Synonyms> (909)
Necrostatin-1 stable

>  <Target> (909)
TNF-alpha

>  <Form> (909)
Free Base

>  <CAS> (909)
852391-15-2

>  <URL> (909)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/10202016042D

 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
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   13.8709    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8709    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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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  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> (910)
910

>  <Formula> (910)
C24H18ClN3O3

>  <MolWeight> (910)
431.87102

>  <Cat> (910)
S8654

>  <Name> (910)
ex229 (compound 991)

>  <Synonyms> (910)
N/A

>  <Target> (910)
AMPK

>  <Form> (910)
Free Base

>  <CAS> (910)
1219739-36-2

>  <URL> (910)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/10202016042D

 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
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    0.0000    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2397    8.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0226    9.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0146    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3461    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3461    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0146    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4787    2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  7  1  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  9 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 30  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (911)
911

>  <Formula> (911)
C24H23FN8O2

>  <MolWeight> (911)
474.4902232

>  <Cat> (911)
S8679

>  <Name> (911)
BTK inhibitor 1 (Compound 27)

>  <Synonyms> (911)
N/A

>  <Target> (911)
BTK

>  <Form> (911)
Free Base

>  <CAS> (911)
2230724-66-8

>  <URL> (911)
http://www.selleckchem.com/products/btk-inhibitor-1-compound27.html

$$$$

csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.7374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8581    6.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9018    2.7765    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (912)
912

>  <Formula> (912)
C14H11ClN4S2

>  <MolWeight> (912)
334.84694

>  <Cat> (912)
S8700

>  <Name> (912)
TP0427736 HCl

>  <Synonyms> (912)
N/A

>  <Target> (912)
ALK

>  <Form> (912)
hydrochloride

>  <CAS> (912)
864374-00-5

>  <URL> (912)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/10202016042D

 36 39  0  0  0  0  0  0  0  0999 V2000
    2.4725    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3222    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5517    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  8  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  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> (913)
913

>  <Formula> (913)
C28H30FN3O4

>  <MolWeight> (913)
491.5539032

>  <Cat> (913)
S8723

>  <Name> (913)
ABBV-744

>  <Synonyms> (913)
N/A

>  <Target> (913)
Epigenetic Reader Do

>  <Form> (913)
Free Base

>  <CAS> (913)
2138861-99-9

>  <URL> (913)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/10202016042D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    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
  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> (914)
914

>  <Formula> (914)
C18H18FN5O2S

>  <MolWeight> (914)
387.4312232

>  <Cat> (914)
S8727

>  <Name> (914)
Atuveciclib (BAY-1143572)

>  <Synonyms> (914)
N/A

>  <Target> (914)
CDK

>  <Form> (914)
Free Base

>  <CAS> (914)
1414943-88-6

>  <URL> (914)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/10202016042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    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> (915)
915

>  <Formula> (915)
C20H16N4O

>  <MolWeight> (915)
328.36724

>  <Cat> (915)
S8729

>  <Name> (915)
AZ32

>  <Synonyms> (915)
N/A

>  <Target> (915)
ATM/ATR

>  <Form> (915)
Free Base

>  <CAS> (915)
No CAS

>  <URL> (915)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/10202016042D

 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
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    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    5.6000    0.0000 F   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
  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> (916)
916

>  <Formula> (916)
C17H20F3N7O2

>  <MolWeight> (916)
411.3816096

>  <Cat> (916)
S8738

>  <Name> (916)
Bimiralisib (PQR309)

>  <Synonyms> (916)
N/A

>  <Target> (916)
PI3K

>  <Form> (916)
Free Base

>  <CAS> (916)
1225037-39-7

>  <URL> (916)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/10202016042D

 36 40  0  0  0  0  0  0  0  0999 V2000
    3.6373   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    1.2124   16.1000    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
 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> (917)
917

>  <Formula> (917)
C26H26FN7O2

>  <MolWeight> (917)
487.5287432

>  <Cat> (917)
S8741

>  <Name> (917)
Avitinib (AC0010)

>  <Synonyms> (917)
N/A

>  <Target> (917)
EGFR

>  <Form> (917)
Free Base

>  <CAS> (917)
1557267-42-1

>  <URL> (917)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/10202016042D

 36 39  0  0  0  0  0  0  0  0999 V2000
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 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> (918)
918

>  <Formula> (918)
C25H25F3N4O4

>  <MolWeight> (918)
502.4856096

>  <Cat> (918)
S8745

>  <Name> (918)
LXH254

>  <Synonyms> (918)
N/A

>  <Target> (918)
Raf

>  <Form> (918)
Free Base

>  <CAS> (918)
1800398-38-2

>  <URL> (918)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/10202016042D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (919)
919

>  <Formula> (919)
C22H18N4

>  <MolWeight> (919)
338.40512

>  <Cat> (919)
S8749

>  <Name> (919)
MBQ-167

>  <Synonyms> (919)
N/A

>  <Target> (919)
Rho

>  <Form> (919)
Free Base

>  <CAS> (919)
2097938-73-1

>  <URL> (919)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/10202016042D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 14 18  1  0  0  0  0
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M  END
>  <Mol_ID> (920)
920

>  <Formula> (920)
C21H25F3N6O2

>  <MolWeight> (920)
450.4574096

>  <Cat> (920)
S8752

>  <Name> (920)
leniolisib(CDZ 173)

>  <Synonyms> (920)
N/A

>  <Target> (920)
PI3K

>  <Form> (920)
Free Base

>  <CAS> (920)
1354690-24-6

>  <URL> (920)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/10202016042D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (921)
921

>  <Formula> (921)
C19H15N3O6S

>  <MolWeight> (921)
413.4039

>  <Cat> (921)
S8754

>  <Name> (921)
Alofanib(RPT835)

>  <Synonyms> (921)
N/A

>  <Target> (921)
FGFR

>  <Form> (921)
Free Base

>  <CAS> (921)
1612888-66-0

>  <URL> (921)
http://www.selleckchem.com/products/alofanib-rpt835.html

$$$$

csChFnd80/10202016042D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (922)
922

>  <Formula> (922)
C24H21BrFN5O2

>  <MolWeight> (922)
510.3582432

>  <Cat> (922)
S8757

>  <Name> (922)
Ripretinib (DCC-2618)

>  <Synonyms> (922)
N/A

>  <Target> (922)
c-Kit

>  <Form> (922)
Free Base

>  <CAS> (922)
1442472-39-0

>  <URL> (922)
http://www.selleckchem.com/products/ripretinib-dcc-2618.html

$$$$

csChFnd80/10202016042D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (923)
923

>  <Formula> (923)
C26H23FN8O

>  <MolWeight> (923)
482.5122232

>  <Cat> (923)
S8764

>  <Name> (923)
IITZ-01

>  <Synonyms> (923)
N/A

>  <Target> (923)
Autophagy

>  <Form> (923)
Free Base

>  <CAS> (923)
1807988-47-1

>  <URL> (923)
http://www.selleckchem.com/products/iitz-01.html

$$$$
S9023 20S-Ginsenoside Rh2.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (924)
924

>  <Formula> (924)
C36H62O8

>  <MolWeight> (924)
622.87268

>  <Cat> (924)
S9023

>  <Name> (924)
20S-Ginsenoside Rh2

>  <Form> (924)
free base

>  <CAS> (924)
78214-33-2

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/10202016042D

 46 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (925)
925

>  <Formula> (925)
C38H46O8

>  <MolWeight> (925)
630.76704

>  <Cat> (925)
S9031

>  <Name> (925)
Gambogenic acid

>  <Form> (925)
free base

>  <CAS> (925)
173932-75-7

$$$$
S9071 Nootkatone.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (926)
926

>  <Formula> (926)
C15H22O

>  <MolWeight> (926)
218.33458

>  <Cat> (926)
S9071

>  <Name> (926)
Nootkatone

>  <Form> (926)
free base

>  <CAS> (926)
4674-50-4

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/10202016042D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (927)
927

>  <Formula> (927)
C21H20O6

>  <MolWeight> (927)
368.3799

>  <Cat> (927)
S9080

>  <Name> (927)
Anhydroicaritin

>  <Form> (927)
free base

>  <CAS> (927)
118525-40-9

$$$$
S9084 Rhoifolin.cdx
csChFnd80/10202016042D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (928)
928

>  <Formula> (928)
C27H30O14

>  <MolWeight> (928)
578.5187

>  <Cat> (928)
S9084

>  <Name> (928)
Rhoifolin

>  <Form> (928)
free base

>  <CAS> (928)
17306-46-6

$$$$
S9092 Norisoboldine.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (929)
929

>  <Formula> (929)
C18H19NO4

>  <MolWeight> (929)
313.34776

>  <Cat> (929)
S9092

>  <Name> (929)
Norisoboldine

>  <Form> (929)
free base

>  <CAS> (929)
23599-69-1

$$$$

csChFnd80/10202016042D

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M  END
>  <Mol_ID> (930)
930

>  <Formula> (930)
C20H28O5

>  <MolWeight> (930)
348.43332

>  <Cat> (930)
S9101

>  <Name> (930)
Ingenol

>  <Form> (930)
free base

>  <CAS> (930)
30220-46-3

$$$$
S9102 Magnolin.cdx
csChFnd80/10202016042D

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>  <CAS> (934)
482-38-2

$$$$
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>  <Mol_ID> (935)
935

>  <Formula> (935)
C44H70O16

>  <MolWeight> (935)
855.017

>  <Cat> (935)
S9114

>  <Name> (935)
Polyphyllin I

>  <Form> (935)
free base

>  <CAS> (935)
50773-41-6

$$$$
S9118 Beta-Asarone.cdx
csChFnd80/10202016042D

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>  <MolWeight> (936)
208.25364

>  <Cat> (936)
S9118

>  <Name> (936)
Beta-Asarone

>  <Form> (936)
free base

>  <CAS> (936)
5273-86-9

$$$$
S9120 Scutellarein.cdx
csChFnd80/10202016042D

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>  <Cat> (937)
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529-53-3

$$$$
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csChFnd80/10202016042D

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M  END
>  <Mol_ID> (938)
938

>  <Formula> (938)
C20H26O4

>  <MolWeight> (938)
330.41804

>  <Cat> (938)
S9127

>  <Name> (938)
Carnosol

>  <Form> (938)
free base

>  <CAS> (938)
5957-80-2

$$$$
S9141 Berbamine.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (939)
939

>  <Formula> (939)
C37H40N2O6

>  <MolWeight> (939)
608.7233

>  <Cat> (939)
S9141

>  <Name> (939)
Berbamine

>  <Form> (939)
free base

>  <CAS> (939)
478-61-5

$$$$
S9152 Epiberberine.cdx
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (940)
940

>  <Formula> (940)
C20H18NO4+

>  <MolWeight> (940)
336.36122

>  <Cat> (940)
S9152

>  <Name> (940)
Epiberberine

>  <Form> (940)
free base

>  <CAS> (940)
1816598

$$$$
S9159 Momordin Ic.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (941)
941

>  <Formula> (941)
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96990-18-0

$$$$
S9162 Rubimaillin.cdx
csChFnd80/10202016042D

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M  END
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942

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C17H16O4

>  <MolWeight> (942)
284.30654

>  <Cat> (942)
S9162

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Rubimaillin

>  <CAS> (942)
55481-88-4

$$$$
S9172 Phellodendrine.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (943)
943

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C20H24NO4+

>  <MolWeight> (943)
342.40886

>  <Cat> (943)
S9172

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Phellodendrine

>  <Form> (943)
free base

>  <CAS> (943)
6873-13-8

$$$$
S9190 Oroxin B.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (944)
944

>  <Formula> (944)
C27H30O15

>  <MolWeight> (944)
594.5181

>  <Cat> (944)
S9190

>  <Name> (944)
Oroxin B

>  <Form> (944)
free base

>  <CAS> (944)
114482-86-9

$$$$

csChFnd80/10202016042D

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>  <Cat> (945)
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>  <Synonyms> (945)
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>  <Target> (945)
CDK

>  <Form> (945)
Free Base

>  <CAS> (945)
160807-49-8

>  <URL> (945)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$

csChFnd80/10202016042D

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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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 18 23  1  0  0  0  0
 27 28  1  0  0  0  0
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  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (946)
946

>  <Formula> (946)
C20H20N4O3S

>  <MolWeight> (946)
396.4628

>  <Cat> (946)
S2039

>  <Name> (946)
IRAK inhibitor 6

>  <Synonyms> (946)
N/A

>  <Target> (946)
IL Receptor

>  <Form> (946)
Free Base

>  <CAS> (946)
1042672-97-8

>  <URL> (946)
http://www.selleck.cn/products/irak-inhibitor-6.html

$$$$
S9230 Vaccarin.cdx
csChFnd80/10202016042D

 51 56  0  0  0  0  0  0  0  0999 V2000
    6.0612    9.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36 31  1  0  0  0  0
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 36 39  1  6  0  0  0
 34 40  1  1  0  0  0
 41 18  1  6  0  0  0
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 42 49  1  1  0  0  0
 44 50  1  1  0  0  0
 47 51  1  0  0  0  0
M  END
>  <Mol_ID> (947)
947

>  <Formula> (947)
C32H38O19

>  <MolWeight> (947)
726.63272

>  <Cat> (947)
S9230

>  <Name> (947)
Vaccarin

>  <Form> (947)
free base

>  <CAS> (947)
53452-16-7

$$$$
S9240 Isofraxidin.cdx
csChFnd80/10202016042D

 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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (948)
948

>  <Formula> (948)
C11H10O5

>  <MolWeight> (948)
222.1941

>  <Cat> (948)
S9240

>  <Name> (948)
Isofraxidin

>  <Form> (948)
free base

>  <CAS> (948)
486-21-5

$$$$
S9275 Isoguanosine.cdx
csChFnd80/10202016042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6385    5.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (949)
949

>  <Formula> (949)
C10H13N5O5

>  <MolWeight> (949)
283.24072

>  <Cat> (949)
S9275

>  <Name> (949)
Isoguanosine

>  <Form> (949)
free base

>  <CAS> (949)
1818-71-9

$$$$

csChFnd80/10202016042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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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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M  END
>  <Mol_ID> (950)
950

>  <Formula> (950)
C19H21N3O2S

>  <MolWeight> (950)
355.45394

>  <Cat> (950)
S2070

>  <Name> (950)
ISCK03

>  <Synonyms> (950)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (950)
c-Kit

>  <Form> (950)
Free Base

>  <CAS> (950)
945526-43-2

>  <URL> (950)
http://www.selleck.cn/products/isck03.html

$$$$
S9314 Atractylenolide II.cdx
csChFnd80/10202016042D

 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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    3.6327    3.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6327    0.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    3.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6825    4.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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> (951)
951

>  <Formula> (951)
C15H20O2

>  <MolWeight> (951)
232.3181

>  <Cat> (951)
S9314

>  <Name> (951)
Atractylenolide II

>  <Form> (951)
free base

>  <CAS> (951)
73069-14-4

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/10202016042D

 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
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  1  0  0  0
  6 13  1  0  0  0  0
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  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 17  1  0  0  0  0
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 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> (952)
952

>  <Formula> (952)
C21H22O7

>  <MolWeight> (952)
386.39518

>  <Cat> (952)
S9315

>  <Name> (952)
Praeruptorin A

>  <Form> (952)
free base

>  <CAS> (952)
73069-25-7

$$$$
S5548 7-Hydroxy-4-chromone.cdx
csChFnd80/10202016042D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.6428    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4322    2.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0677    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2180    2.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    0.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0640    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 11  2  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (953)
953

>  <Formula> (953)
C9H6O3

>  <MolWeight> (953)
162.14214

>  <Cat> (953)
S5548

>  <Name> (953)
7-Hydroxy-4-chromone

>  <Target> (953)
Src

>  <Form> (953)
free base

>  <CAS> (953)
59887-89-7

>  <URL> (953)
http://selleckchem.com/products/.html

$$$$
S5617 Myristic Acid.cdx
csChFnd80/10202016042D

 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
    8.4871    0.7000    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
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 O   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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 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  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (954)
954

>  <Formula> (954)
C14H28O2

>  <MolWeight> (954)
228.37092

>  <Cat> (954)
S5617

>  <Name> (954)
Myristic Acid

>  <Form> (954)
free base

>  <CAS> (954)
544-63-8

$$$$
S9041 Corosolic acid.cdx
csChFnd80/10202016042D

 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
    3.6299    3.4831    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2808    4.1754    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0640    3.4831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4768    6.2736    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6938    5.5813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8469    4.1754    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.4130    1.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0640    6.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4130    4.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  2  0  0  0  0
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 11  2  1  0  0  0  0
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 16  3  1  0  0  0  0
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 17  4  1  0  0  0  0
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 14  5  1  0  0  0  0
  5 36  1  1  0  0  0
  6 13  1  1  0  0  0
 19  6  1  0  0  0  0
 21  6  1  0  0  0  0
  7 18  1  0  0  0  0
  7 35  1  6  0  0  0
  9  8  1  0  0  0  0
  8 37  1  6  0  0  0
  8 20  1  0  0  0  0
 31  9  1  0  0  0  0
 32  9  1  0  0  0  0
 12  9  1  0  0  0  0
 18 10  1  0  0  0  0
 15 11  1  0  0  0  0
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 22 13  2  0  0  0  0
 28 13  1  0  0  0  0
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 14 33  1  1  0  0  0
 15 30  1  6  0  0  0
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 20 17  1  0  0  0  0
 21 24  1  0  0  0  0
 24 23  1  0  0  0  0
 23 34  1  6  0  0  0
M  END
>  <Mol_ID> (955)
955

>  <Formula> (955)
C30H48O4

>  <MolWeight> (955)
472.69972

>  <Cat> (955)
S9041

>  <Name> (955)
Corosolic acid

>  <Form> (955)
free base

>  <CAS> (955)
4547-24-4

$$$$
S9042 Wedelolactone.cdx
csChFnd80/10202016042D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.9691    3.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7936    2.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1857    2.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6382    2.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6401    1.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9290    4.8225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3621    2.8559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17  3  2  0  0  0  0
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 11  5  1  0  0  0  0
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 12  7  1  0  0  0  0
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 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (956)
956

>  <Formula> (956)
C16H10O7

>  <MolWeight> (956)
314.2464

>  <Cat> (956)
S9042

>  <Name> (956)
Wedelolactone

>  <Form> (956)
free base

>  <CAS> (956)
524-12-9

$$$$
S9022 20S-Ginsenoside Rg3.cdx
csChFnd80/10202016042D

 59 64  0  0  0  0  0  0  0  0999 V2000
   14.9481    8.4885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   20.2417   14.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8220   13.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9205    1.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9248    7.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6888   12.1030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6888    8.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0908   12.9192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2608    4.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26  1  1  0  0  0  0
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 27  2  1  0  0  0  0
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 10  3  1  0  0  0  0
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 28  4  1  0  0  0  0
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 14  6  1  0  0  0  0
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 19  9  1  0  0  0  0
 23  9  1  0  0  0  0
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 49 50  1  0  0  0  0
 23 59  1  6  0  0  0
M  END
>  <Mol_ID> (957)
957

>  <Formula> (957)
C42H72O13

>  <MolWeight> (957)
785.01328

>  <Cat> (957)
S9022

>  <Name> (957)
20S-Ginsenoside Rg3

>  <Form> (957)
free base

>  <CAS> (957)
14197-60-5

$$$$

csChFnd80/10202016042D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (958)
958

>  <Formula> (958)
C16H14N2O2

>  <MolWeight> (958)
266.29456

>  <Cat> (958)
S2115

>  <Name> (958)
RG 13022

>  <Synonyms> (958)
Tyrphostin RG13022

>  <Target> (958)
EGFR

>  <Form> (958)
Free Base

>  <CAS> (958)
136831-48-6

>  <URL> (958)
http://www.selleck.cn/products/rg-13022.html

$$$$
S9359 Anthraquinone-2-carboxylic Acid.cdx
csChFnd80/10202016042D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8412    3.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8567    2.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0498    1.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4363    3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    5.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    3.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6467    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2192    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (959)
959

>  <Formula> (959)
C15H8O4

>  <MolWeight> (959)
252.22162

>  <Cat> (959)
S9359

>  <Name> (959)
Anthraquinone-2-carboxylic Acid

>  <Form> (959)
free base

>  <CAS> (959)
117-78-2

$$$$
S9376 Benzylacetone.cdx
csChFnd80/10202016042D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4385    2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2288    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8591    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0110    2.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    2.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2838    2.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    4.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  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  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (960)
960

>  <Formula> (960)
C10H12O

>  <MolWeight> (960)
148.20168

>  <Cat> (960)
S9376

>  <Name> (960)
Benzylacetone

>  <Form> (960)
free base

>  <CAS> (960)
2550-26-7

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/10202016042D

 63 66  0  0  0  0  0  0  0  0999 V2000
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   18.4104    3.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.0189    6.6429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2189    6.6429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6189    1.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7011    4.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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961

>  <Formula> (961)
C43H44ClFN4O11S3

>  <MolWeight> (961)
943.4760632

>  <Cat> (961)
S5241

>  <Name> (961)
Lapatinib ditosylate monohydrate

>  <Synonyms> (961)
Tykerb Ditosylate

>  <Target> (961)
Others

>  <Form> (961)
ditosylate monohydrate

>  <CAS> (961)
388082-78-8

>  <URL> (961)
http://selleckchem.com/products/.html

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/10202016042D

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>  <Mol_ID> (962)
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>  <Formula> (962)
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>  <MolWeight> (962)
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>  <Cat> (962)
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>  <Name> (962)
Dasatinib hydrochloride

>  <Synonyms> (962)
BMS 354825 hydrochloride

>  <Target> (962)
Abl/Src

>  <Form> (962)
hydrochloride 

>  <CAS> (962)
854001-07-3

>  <URL> (962)
http://selleckchem.com/products/.html

$$$$
S5716 Abemaciclib.cdx
csChFnd80/10202016042D

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>  <Formula> (963)
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>  <MolWeight> (963)
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>  <Cat> (963)
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>  <Name> (963)
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>  <Synonyms> (963)
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>  <Target> (963)
CDK

>  <Form> (963)
free base

>  <CAS> (963)
1231929-97-7 

>  <URL> (963)
http://selleckchem.com/products/abemaciclib.html

$$$$
S5667 Fruquintinib.cdx
csChFnd80/10202016042D

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    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6  4  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  3 10  1  0  0  0  0
  2 13  1  0  0  0  0
 12 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
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 23 24  2  0  0  0  0
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 16 25  2  0  0  0  0
 20 25  1  0  0  0  0
 26 27  1  0  0  0  0
 23 26  1  0  0  0  0
 28 29  1  0  0  0  0
 22 28  1  0  0  0  0
 15 19  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (964)
964

>  <Formula> (964)
C21H19N3O5

>  <MolWeight> (964)
393.39266

>  <Cat> (964)
S5667

>  <Name> (964)
Fruquintinib

>  <Target> (964)
VEGFRs

>  <CAS> (964)
1194506-26-7

>  <URL> (964)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

csChFnd80/10202016042D

 36 41  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 10 20  2  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  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 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 29  1  0  0  0  0
  1 35  1  0  0  0  0
 35 36  3  0  0  0  0
M  END
>  <Mol_ID> (965)
965

>  <Formula> (965)
C30H34N4O2

>  <MolWeight> (965)
482.61656

>  <Cat> (965)
S2762

>  <Name> (965)
Alectinib (CH5424802)

>  <Synonyms> (965)
AF-802,RG-7853

>  <Target> (965)
ALK

>  <Form> (965)
Free Base

>  <CAS> (965)
1256580-46-7

>  <URL> (965)
http://www.selleckchem.com/products/ch5424802.html

$$$$

csChFnd80/10202016042D

 42 44  0  0  0  0  0  0  0  0999 V2000
    2.2264    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4388    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8637    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0761    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  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
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 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
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 22  9  1  0  0  0  0
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 18 24  1  0  0  0  0
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 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
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M  END
>  <Mol_ID> (966)
966

>  <Formula> (966)
C29H37N7O5S

>  <MolWeight> (966)
595.71298

>  <Cat> (966)
S5078

>  <Name> (966)
Osimertinib mesylate

>  <Synonyms> (966)
AZD9291 mesylate

>  <Target> (966)
EGFR

>  <Form> (966)
mesylate

>  <CAS> (966)
1421373-66-1

>  <URL> (966)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/10202016042D

 21 21  0  0  0  0  0  0  0  0999 V2000
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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
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 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (967)
967

>  <Formula> (967)
C16H21Cl2N3

>  <MolWeight> (967)
326.26404

>  <Cat> (967)
S5670

>  <Name> (967)
Chloropyramine hydrochloride

>  <Synonyms> (967)
Halopyramine hydrochloride

>  <Target> (967)
Histamine Receptor

>  <Form> (967)
hydrochloride

>  <CAS> (967)
6170-42-9

>  <URL> (967)
http://www.selleckchem.com/products/chloropyramine-hydrochloride.html

$$$$

csChFnd80/10202016042D

 31 33  0  0  0  0  0  0  0  0999 V2000
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  6  8  1  0  0  0  0
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  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> (968)
968

>  <Formula> (968)
C16H20N7O6PS

>  <MolWeight> (968)
469.412061

>  <Cat> (968)
S5754

>  <Name> (968)
Baricitinib phosphate

>  <Synonyms> (968)
INCB-028050 phosphate, LY-3009104 phosphate 

>  <Target> (968)
JAK

>  <Form> (968)
phosphate

>  <CAS> (968)
1187595-84-1

>  <URL> (968)
http://www.selleckchem.com/products/baricitinib-phosphate.html

$$$$

csChFnd80/10202016042D

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 27 28  1  0  0  0  0
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M  END
>  <Mol_ID> (969)
969

>  <Formula> (969)
C22H21ClN2O3

>  <MolWeight> (969)
396.86674

>  <Cat> (969)
S5792

>  <Name> (969)
CID 2011756

>  <Synonyms> (969)
N/A

>  <Target> (969)
Serine/threonin kina

>  <Form> (969)
Free Base

>  <CAS> (969)
638156-11-3

>  <URL> (969)
http://www.selleckchem.com/products/cid-2011756.html

$$$$

csChFnd80/10202016042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 15  1  2  0  0  0  0
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 19  2  1  0  0  0  0
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 14  4  1  0  0  0  0
 10  5  1  0  0  0  0
 13  5  1  0  0  0  0
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 12  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 14  8  1  0  0  0  0
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 18 10  1  0  0  0  0
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 17 12  2  0  0  0  0
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M  END
>  <Mol_ID> (970)
970

>  <Formula> (970)
C22H23N5O

>  <MolWeight> (970)
373.45092

>  <Cat> (970)
S5793

>  <Name> (970)
Motesanib (AMG-706)

>  <Synonyms> (970)
N/A

>  <Target> (970)
VEGFR

>  <Form> (970)
Free Base

>  <CAS> (970)
453562-69-1

>  <URL> (970)
http://www.selleckchem.com/products/motesanib-amg-706.html

$$$$

csChFnd80/10202016042D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (971)
971

>  <Formula> (971)
C20H18N2O4S

>  <MolWeight> (971)
382.43292

>  <Cat> (971)
S5807

>  <Name> (971)
HMN-176

>  <Synonyms> (971)
N/A

>  <Target> (971)
Others

>  <Form> (971)
Free Base

>  <CAS> (971)
173529-10-7

>  <URL> (971)
http://www.selleckchem.com/products/hmn-176.html

$$$$

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1898283-02-7

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C24H24N4O

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S8775

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N/A

>  <Target> (974)
Serine/threonin kina

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Free Base

>  <CAS> (974)
2158197-70-5

>  <URL> (974)
http://www.selleckchem.com/products/hs-1371.html

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BTK

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Free Base

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1415823-73-2

>  <URL> (975)
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ERK

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1621999-82-3

>  <URL> (976)
http://www.selleckchem.com/products/cc-90003.html

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>  <Synonyms> (977)
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>  <Target> (977)
AMPK

>  <Form> (977)
Free Base

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1219737-12-8

>  <URL> (977)
http://www.selleckchem.com/products/mk-3903.html

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>  <Synonyms> (978)
N/A

>  <Target> (978)
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>  <Form> (978)
Free Base

>  <CAS> (978)
55033-90-4

>  <URL> (978)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

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488.69912

>  <Cat> (979)
S9514

>  <Name> (979)
Rotundic acid

>  <Synonyms> (979)
Rutundic acid

>  <Target> (979)
Others

>  <Form> (979)
Free Base

>  <CAS> (979)
20137-37-5

>  <URL> (979)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.3003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  6  0  0  0
  7 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 12  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (980)
980

>  <Formula> (980)
C17H16O5

>  <MolWeight> (980)
300.30594

>  <Cat> (980)
S9552

>  <Name> (980)
Farrerol

>  <Synonyms> (980)
N/A

>  <Target> (980)
Others

>  <Form> (980)
Free Base

>  <CAS> (980)
24211-30-1

>  <URL> (980)
http://www.selleckchem.com/products/farrerol.html

$$$$

csChFnd80/10202016042D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (981)
981

>  <Formula> (981)
C10H10O2

>  <MolWeight> (981)
162.1852

>  <Cat> (981)
S6221

>  <Name> (981)
Methyl cinnamate

>  <Synonyms> (981)
N/A

>  <Target> (981)
Others

>  <Form> (981)
free base

>  <CAS> (981)
103-26-4

>  <URL> (981)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/10202016042D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (982)
982

>  <Formula> (982)
C7H9N5

>  <MolWeight> (982)
163.17986

>  <Cat> (982)
S6088

>  <Name> (982)
6-(Dimethylamino)purine

>  <Synonyms> (982)
N,N-Dimethyladenine

>  <Target> (982)
Serine/threonin kina

>  <Form> (982)
free base

>  <CAS> (982)
938-55-6

>  <URL> (982)
http://www.selleck.cn/products/6-dimethylamino-purine.html

$$$$

csChFnd80/10202016042D

 13 13  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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    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
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    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
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (983)
983

>  <Formula> (983)
C9H10O4

>  <MolWeight> (983)
182.1733

>  <Cat> (983)
S6338

>  <Name> (983)
3,4-Dihydroxyhydrocinnamic acid

>  <Synonyms> (983)
Dihydrocaffeic acid

>  <Target> (983)
Others

>  <Form> (983)
free base

>  <CAS> (983)
1078-61-1

>  <URL> (983)
http://www.selleck.cn/products/3-4-dihydroxyhydrocinnamic-acid.html

$$$$

csChFnd80/10202016042D

 38 43  0  0  0  0  0  0  0  0999 V2000
    4.6406    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    8.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    6.0932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2199    7.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    8.3584    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    8.6258    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    8.4953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    6.5335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    4.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    3.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    4.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    5.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0777    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3839    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8165    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8798    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6199    7.2258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3199    6.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6199    4.8010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7199    6.0134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4199    4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8199    4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5199    3.5885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8199    2.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5199    1.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9199    1.1636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6199    2.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9199    3.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3207    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
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 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 11  1  0  0  0  0
 14 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 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  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
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
>  <Mol_ID> (984)
984

>  <Formula> (984)
C25H23FN8O2S2

>  <MolWeight> (984)
550.6309232

>  <Cat> (984)
S7564

>  <Name> (984)
SAR125844

>  <Synonyms> (984)
N/A

>  <Target> (984)
c-Met

>  <Form> (984)
free base

>  <CAS> (984)
1116743-46-4

>  <URL> (984)
http://www.selleck.cn/products/sar125844.html

$$$$

csChFnd80/10202016042D

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    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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    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    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
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    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
   14.5492    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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942507-42-8

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JAK

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free base

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1622902-68-4

>  <URL> (986)
http://www.selleck.cn/products/pf-04965842.html

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>  <MolWeight> (987)
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>  <Synonyms> (987)
N/A

>  <Target> (987)
c-Kit

>  <Form> (987)
free base

>  <CAS> (987)
2248003-60-1

>  <URL> (987)
http://www.selleck.cn/products/azd3229.html

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free base

>  <CAS> (988)
2226735-55-1

>  <URL> (988)
http://www.selleck.cn/products/gsk547.html

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>  <CAS> (989)
1462249-75-7

>  <URL> (989)
http://www.selleck.cn/products/pfk158.html

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 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
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M  END
>  <Mol_ID> (990)
990

>  <Formula> (990)
C27H24F3N5O2

>  <MolWeight> (990)
507.5069696

>  <Cat> (990)
S8810

>  <Name> (990)
SPHINX31

>  <Synonyms> (990)
N/A

>  <Target> (990)
Serine/threonin kina

>  <Form> (990)
free base

>  <CAS> (990)
1818389-84-2

>  <URL> (990)
http://www.selleck.cn/products/sphinx31.html

$$$$

csChFnd80/10202016042D

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M  END
>  <Mol_ID> (991)
991

>  <Formula> (991)
C52H54N4O12

>  <MolWeight> (991)
927.00476

>  <Cat> (991)
S6201

>  <Name> (991)
Malachite green

>  <Synonyms> (991)
Aniline green, Basic green 4, Diamond green B, Victoria green B

>  <Target> (991)
Others

>  <Form> (991)
free base

>  <CAS> (991)
2437-29-8

>  <URL> (991)
http://www.selleck.cn/products/malachite-green.html

$$$$

csChFnd80/10202016042D

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  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
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 22 23  1  0  0  0  0
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 24 25  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
>  <Mol_ID> (992)
992

>  <Formula> (992)
C21H19ClNO4+

>  <MolWeight> (992)
384.83286

>  <Cat> (992)
S1292

>  <Name> (992)
Chelerythrine Chloride

>  <Synonyms> (992)
N/A

>  <Target> (992)
PKC

>  <Form> (992)
Chloride

>  <CAS> (992)
3895-92-9

>  <URL> (992)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/10202016042D

 38 41  0  0  0  0  0  0  0  0999 V2000
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 16 19  1  0  0  0  0
 10 12  1  0  0  0  0
  1  8  1  0  0  0  0
 27 28  1  0  0  0  0
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 27 32  2  0  0  0  0
 33 34  1  0  0  0  0
 31 33  1  0  0  0  0
 35 36  1  0  0  0  0
 29 35  1  0  0  0  0
 32 37  1  0  0  0  0
 28 38  1  0  0  0  0
  4 27  1  0  0  0  0
M  END
>  <Mol_ID> (993)
993

>  <Formula> (993)
C26H31Cl2N7O3

>  <MolWeight> (993)
560.47544

>  <Cat> (993)
S2183

>  <Name> (993)
BGJ398 (NVP-BGJ398|Infigratinib)

>  <Synonyms> (993)
N/A

>  <Target> (993)
FGFR

>  <Form> (993)
Free Base

>  <CAS> (993)
872511-34-7

>  <URL> (993)
http://www.selleck.cn/products/bgj398-nvp-bgj398.html

$$$$

csChFnd80/10202016042D

 28 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 14 13  1  6  0  0  0
 13 15  2  0  0  0  0
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 17 14  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 25 21  1  0  0  0  0
 23 26  1  0  0  0  0
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 27 28  1  0  0  0  0
  9 28  1  0  0  0  0
M  END
>  <Mol_ID> (994)
994

>  <Formula> (994)
C18H21F2N7O

>  <MolWeight> (994)
389.4024464

>  <Cat> (994)
S8804

>  <Name> (994)
PF-06700841

>  <Synonyms> (994)
PF-841

>  <Target> (994)
JAK

>  <Form> (994)
Free Base

>  <CAS> (994)
1883299-62-4

>  <URL> (994)
http://www.selleck.cn/products/pf-06700841.html

$$$$

csChFnd80/10202016042D

 39 43  0  0  0  0  0  0  0  0999 V2000
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 13  7  2  0  0  0  0
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 23  9  1  0  0  0  0
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 39 18  1  0  0  0  0
M  END
>  <Mol_ID> (995)
995

>  <Formula> (995)
C30H35N7O2

>  <MolWeight> (995)
525.6446

>  <Cat> (995)
S8817

>  <Name> (995)
HS-10296

>  <Synonyms> (995)
N/A

>  <Target> (995)
EGFR

>  <Form> (995)
Free Base

>  <CAS> (995)
1899921-05-1

>  <URL> (995)
http://www.selleck.cn/products/hs-10296.html

$$$$

csChFnd80/10202016042D

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>  <Formula> (996)
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>  <MolWeight> (996)
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>  <Cat> (996)
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>  <Synonyms> (996)
N/A

>  <Target> (996)
c-RET

>  <Form> (996)
Free Base

>  <CAS> (996)
1627856-64-7

>  <URL> (996)
http://www.selleck.cn/products/gsk3179106.html

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csChFnd80/10202016042D

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997

>  <Formula> (997)
C15H19Br2ClN4

>  <MolWeight> (997)
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>  <Cat> (997)
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>  <Name> (997)
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>  <Synonyms> (997)
N/A

>  <Target> (997)
CDK

>  <Form> (997)
Free Base

>  <CAS> (997)
1609522-33-9

>  <URL> (997)
http://www.selleck.cn/products/sel120.html

$$$$

csChFnd80/10202016042D

 23 27  0  0  0  0  0  0  0  0999 V2000
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998

>  <Formula> (998)
C19H17N3O

>  <MolWeight> (998)
303.35778

>  <Cat> (998)
S2382

>  <Name> (998)
Evodiamine

>  <Synonyms> (998)
Isoevodiamine

>  <Target> (998)
NF-¦ÊB

>  <Form> (998)
Free Base

>  <CAS> (998)
518-17-2

>  <URL> (998)
http://www.selleck.cn/products/Evodiamine(Isoevodiamine).html

$$$$

csChFnd80/10202016042D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (999)
999

>  <Formula> (999)
C23H21N5O3

>  <MolWeight> (999)
415.44454

>  <Cat> (999)
S2780

>  <Name> (999)
I-BET151 (GSK1210151A)

>  <Synonyms> (999)
N/A

>  <Target> (999)
Epigenetic Reader Do

>  <Form> (999)
Free Base

>  <CAS> (999)
1300031-49-5

>  <URL> (999)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

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csChFnd80/10202016042D

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>  <Formula> (1,000)
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>  <MolWeight> (1,000)
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>  <Cat> (1,000)
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>  <Name> (1,000)
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>  <Synonyms> (1,000)
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>  <Target> (1,000)
PI3K

>  <Form> (1,000)
Free Base

>  <CAS> (1,000)
541550-19-0

>  <URL> (1,000)
http://www.selleck.cn/products/apilimod.html

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M  END
>  <Mol_ID> (1,005)
1005

>  <Formula> (1,005)
C29H39ClN7O2P

>  <MolWeight> (1,005)
584.092421

>  <Cat> (1,005)
S8229

>  <Name> (1,005)
Brigatinib (AP26113)

>  <Synonyms> (1,005)
N/A

>  <Target> (1,005)
ALK

>  <Form> (1,005)
Free Base

>  <CAS> (1,005)
1197953-54-0

>  <URL> (1,005)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,006)
1006

>  <Formula> (1,006)
C19H18N4O3

>  <MolWeight> (1,006)
350.37122

>  <Cat> (1,006)
S8684

>  <Name> (1,006)
Selective JAK3 inhibitor 1

>  <Synonyms> (1,006)
N/A

>  <Target> (1,006)
JAK

>  <Form> (1,006)
Free Base

>  <CAS> (1,006)
1443235-95-7

>  <URL> (1,006)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/10202016042D

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>  <Mol_ID> (1,007)
1007

>  <Formula> (1,007)
C23H20FN7O

>  <MolWeight> (1,007)
429.4496032

>  <Cat> (1,007)
S8693

>  <Name> (1,007)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (1,007)
N/A

>  <Target> (1,007)
PI3K

>  <Form> (1,007)
Free Base

>  <CAS> (1,007)
2088525-31-7

>  <URL> (1,007)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/10202016042D

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1628607-64-6

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   16.3260    2.4178    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.3397    4.6331    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.4880    3.7736    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 27  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,012)
1012

>  <Formula> (1,012)
C22H16F4N4OS

>  <MolWeight> (1,012)
460.4472528

>  <Cat> (1,012)
S8793

>  <Name> (1,012)
ULK-101

>  <Synonyms> (1,012)
N/A

>  <Target> (1,012)
Autophagy

>  <Form> (1,012)
Free Base

>  <CAS> (1,012)
no cas

>  <URL> (1,012)
http://www.selleck.cn/products/ulk-101.html

$$$$

csChFnd80/10202016042D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.4213    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4213    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6338    7.6854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.0049    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0149    6.5802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7675    5.9446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    4.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2669    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4793    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4793    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2669    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6875    4.1903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (1,013)
1013

>  <Formula> (1,013)
C14H14ClFN8

>  <MolWeight> (1,013)
348.7659632

>  <Cat> (1,013)
S2162

>  <Name> (1,013)
AZD1480

>  <Synonyms> (1,013)
N/A

>  <Target> (1,013)
JAK

>  <Form> (1,013)
free base

>  <CAS> (1,013)
935666-88-9

>  <URL> (1,013)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/10202016042D

 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
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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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    6.2494    5.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4620    4.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6125    3.0171    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
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    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
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 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> (1,014)
1014

>  <Formula> (1,014)
C26H21F3N4O4

>  <MolWeight> (1,014)
510.4645496

>  <Cat> (1,014)
S6412

>  <Name> (1,014)
Altiratinib

>  <Synonyms> (1,014)
DCC-2701

>  <Target> (1,014)
Trk receptor

>  <Form> (1,014)
free base

>  <CAS> (1,014)
1345847-93-9

>  <URL> (1,014)
http://www.selleck.cn/products/altiratinib.html

$$$$

csChFnd80/10202016042D

 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
    2.4268    5.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7618    3.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    2.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7618    5.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    5.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1972    1.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  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> (1,015)
1015

>  <Formula> (1,015)
C12H12O2

>  <MolWeight> (1,015)
188.22248

>  <Cat> (1,015)
S6493

>  <Name> (1,015)
n-Butylidenephthalide

>  <Synonyms> (1,015)
N/A

>  <Target> (1,015)
Others

>  <Form> (1,015)
free base

>  <CAS> (1,015)
551-08-6

>  <URL> (1,015)
http://www.selleck.cn/products/n-butylidenephthalide.html

$$$$

csChFnd80/10202016042D

 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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.1000    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
    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> (1,016)
1016

>  <Formula> (1,016)
C9H5ClN4

>  <MolWeight> (1,016)
204.6158

>  <Cat> (1,016)
S6494

>  <Name> (1,016)
CCCP

>  <Synonyms> (1,016)
Carbonyl cyanide m-chlorophenyl hydrazone

>  <Target> (1,016)
Others

>  <Form> (1,016)
free base

>  <CAS> (1,016)
555-60-2

>  <URL> (1,016)
http://www.selleck.cn/products/cccp.html

$$$$

csChFnd80/10202016042D

 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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    3.6373    4.9000    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
    3.6373    2.1000    0.0000 O   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
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    3.6373    6.3000    0.0000 O   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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  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> (1,017)
1017

>  <Formula> (1,017)
C8H7BrO3

>  <MolWeight> (1,017)
231.04338

>  <Cat> (1,017)
S6495

>  <Name> (1,017)
6-Bromo-2-hydroxy-3-methoxybenzaldehyde

>  <Synonyms> (1,017)
N/A

>  <Target> (1,017)
Others

>  <Form> (1,017)
free base

>  <CAS> (1,017)
20035-41-0

>  <URL> (1,017)
http://www.selleck.cn/products/6-bromo-2-hydroxy-3-methoxybenzaldehyde.html

$$$$

csChFnd80/10202016042D

 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
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587852-28-6

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333745-53-2

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    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    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
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  9  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
 12  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 16  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 10 11  1  0  0  0  0
 19 11  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 14  1  0  0  0  0
 17 15  1  0  0  0  0
 20 16  2  0  0  0  0
 19 21  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,027)
1027

>  <Formula> (1,027)
C16H15N3O2

>  <MolWeight> (1,027)
281.3092

>  <Cat> (1,027)
S6506

>  <Name> (1,027)
Compound 401

>  <Synonyms> (1,027)
N/A

>  <Target> (1,027)
DNA-PK

>  <Form> (1,027)
free base

>  <CAS> (1,027)
168425-64-7

>  <URL> (1,027)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/10202016042D

 36 37  0  0  0  0  0  0  0  0999 V2000
   12.7627    1.9478    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.7627    0.5478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3627    1.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7627    3.3478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1627    1.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
  6 12  1  0  0  0  0
 16 17  1  0  0  0  0
  9 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 30 35  2  0  0  0  0
 33 36  1  0  0  0  0
 29 30  1  0  0  0  0
 25 27  1  0  0  0  0
 24 25  1  0  0  0  0
 19 24  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,028)
1028

>  <Formula> (1,028)
C24H28ClN2O7PS

>  <MolWeight> (1,028)
554.980081

>  <Cat> (1,028)
S6507

>  <Name> (1,028)
KN-92 phosphate

>  <Synonyms> (1,028)
N/A

>  <Target> (1,028)
Others

>  <Form> (1,028)
phosphate

>  <CAS> (1,028)
1135280-28-2

>  <URL> (1,028)
http://www.selleck.cn/products/kn-92-phosphate.html

$$$$

csChFnd80/10202016042D

 32 36  0  0  0  0  0  0  0  0999 V2000
   15.9492    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2244    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  9 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
 21 23  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 32  1  0  0  0  0
 29 30  1  0  0  0  0
 26 29  1  0  0  0  0
 18 21  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,029)
1029

>  <Formula> (1,029)
C24H26N4O3S

>  <MolWeight> (1,029)
450.55324

>  <Cat> (1,029)
S6508

>  <Name> (1,029)
Mitapivat

>  <Synonyms> (1,029)
AG-348

>  <Target> (1,029)
PKM

>  <Form> (1,029)
free base

>  <CAS> (1,029)
1260075-17-9

>  <URL> (1,029)
http://www.selleck.cn/products/mitapivat.html

$$$$

csChFnd80/10202016042D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.4993    2.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2888    2.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7185    2.1025    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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  2  5  2  0  0  0  0
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  4  7  2  0  0  0  0
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  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  1  0  0  0  0
  8 13  2  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
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,030)
1030

>  <Formula> (1,030)
C16H12N2O3

>  <MolWeight> (1,030)
280.27808

>  <Cat> (1,030)
S6509

>  <Name> (1,030)
AG 494

>  <Synonyms> (1,030)
N/A

>  <Target> (1,030)
EGFR

>  <Form> (1,030)
free base

>  <CAS> (1,030)
133550-35-3

>  <URL> (1,030)
http://www.selleck.cn/products/ag-494.html

$$$$

csChFnd80/10202016042D

 22 22  0  0  0  0  0  0  0  0999 V2000
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   10.0012    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7852    2.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4344    2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2141    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7852    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5628    2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134    5.5906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6052    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,031)
1031

>  <Formula> (1,031)
C14H19Cl2N3O2S

>  <MolWeight> (1,031)
364.29056

>  <Cat> (1,031)
S6510

>  <Name> (1,031)
Iso-H7 dihydrochloride

>  <Synonyms> (1,031)
N/A

>  <Target> (1,031)
Phosphorylase

>  <Form> (1,031)
dihydrochloride

>  <CAS> (1,031)
140663-38-3

>  <URL> (1,031)
http://www.selleck.cn/products/iso-h7-dihydrochloride.html

$$$$

csChFnd80/10202016042D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,032)
1032

>  <Formula> (1,032)
C13H19NO2

>  <MolWeight> (1,032)
221.29546

>  <Cat> (1,032)
S6511

>  <Name> (1,032)
RIPA-56

>  <Synonyms> (1,032)
N/A

>  <Target> (1,032)
TNF-alpha

>  <Form> (1,032)
free base

>  <CAS> (1,032)
1956370-21-0

>  <URL> (1,032)
http://www.selleck.cn/products/ripa-56.html

$$$$

csChFnd80/10202016042D

 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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  5 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,033)
1033

>  <Formula> (1,033)
C16H23NO4

>  <MolWeight> (1,033)
293.35812

>  <Cat> (1,033)
S6512

>  <Name> (1,033)
MHP

>  <Synonyms> (1,033)
N/A

>  <Target> (1,033)
S1P Receptor

>  <Form> (1,033)
free base

>  <CAS> (1,033)
1104874-94-3

>  <URL> (1,033)
http://www.selleck.cn/products/defensamide.html

$$$$

csChFnd80/10202016042D

 38 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,034)
1034

>  <Formula> (1,034)
C29H34ClN7O

>  <MolWeight> (1,034)
532.07956

>  <Cat> (1,034)
S6513

>  <Name> (1,034)
HG-14-10-04

>  <Synonyms> (1,034)
N/A

>  <Target> (1,034)
ALK

>  <Form> (1,034)
free base

>  <CAS> (1,034)
1356962-34-9

>  <URL> (1,034)
http://www.selleck.cn/products/hg-14-10-04.html

$$$$

csChFnd80/10202016042D

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1035

>  <Formula> (1,035)
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>  <MolWeight> (1,035)
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>  <Cat> (1,035)
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>  <Name> (1,035)
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>  <Synonyms> (1,035)
N/A

>  <Target> (1,035)
PI3K

>  <Form> (1,035)
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>  <CAS> (1,035)
1032754-81-6

>  <URL> (1,035)
http://www.selleck.cn/products/gne-477.html

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ADT-OH

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Others

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free base

>  <CAS> (1,036)
18274-81-2

>  <URL> (1,036)
http://www.selleck.cn/products/desmethylanethol-trithione.html

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csChFnd80/10202016042D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
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1037

>  <Formula> (1,037)
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>  <MolWeight> (1,037)
312.2984232

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S6519

>  <Name> (1,037)
R112

>  <Synonyms> (1,037)
N/A

>  <Target> (1,037)
Syk

>  <Form> (1,037)
free base

>  <CAS> (1,037)
575474-82-7

>  <URL> (1,037)
http://www.selleck.cn/products/r112.html

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csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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1038

>  <Formula> (1,038)
C16H15N3O3

>  <MolWeight> (1,038)
297.3086

>  <Cat> (1,038)
S6520

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WHI-P180

>  <Synonyms> (1,038)
N/A

>  <Target> (1,038)
VEGFR

>  <Form> (1,038)
free base

>  <CAS> (1,038)
211555-08-7

>  <URL> (1,038)
http://www.selleck.cn/products/whi-p180.html

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csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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1039

>  <Formula> (1,039)
C16H15N3O2

>  <MolWeight> (1,039)
281.3092

>  <Cat> (1,039)
S6521

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WHI-P258

>  <Synonyms> (1,039)
N/A

>  <Target> (1,039)
JAK

>  <Form> (1,039)
free base

>  <CAS> (1,039)
21561-09-1

>  <URL> (1,039)
http://www.selleck.cn/products/whi-p258.html

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csChFnd80/10202016042D

 20 20  0  0  0  0  0  0  0  0999 V2000
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1040

>  <Formula> (1,040)
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>  <MolWeight> (1,040)
272.3422

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S6522

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>  <Synonyms> (1,040)
N/A

>  <Target> (1,040)
Phospholipase (e.g. 

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free base

>  <CAS> (1,040)
106392-48-7

>  <URL> (1,040)
http://www.selleck.cn/products/st271.html

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csChFnd80/10202016042D

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>  <Formula> (1,041)
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>  <MolWeight> (1,041)
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EGFR

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free base

>  <CAS> (1,041)
136831-49-7

>  <URL> (1,041)
http://www.selleck.cn/products/rg14620.html

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1055

>  <Formula> (1,055)
C28H28F3N5O4

>  <MolWeight> (1,055)
555.5482296

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S6545

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BI-4464

>  <Synonyms> (1,055)
N/A

>  <Target> (1,055)
FAK

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free base

>  <CAS> (1,055)
1227948-02-8

>  <URL> (1,055)
http://www.selleck.cn/products/bi-4464.html

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csChFnd80/10202016042D

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1056

>  <Formula> (1,056)
C22H20N2O3

>  <MolWeight> (1,056)
360.4058

>  <Cat> (1,056)
S6554

>  <Name> (1,056)
ML365

>  <Synonyms> (1,056)
N/A

>  <Target> (1,056)
Potassium Channel

>  <Form> (1,056)
free base

>  <CAS> (1,056)
947914-18-3

>  <URL> (1,056)
http://www.selleck.cn/products/ml365.html

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csChFnd80/10202016042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,057)
1057

>  <Formula> (1,057)
C22H19N3O3

>  <MolWeight> (1,057)
373.40456

>  <Cat> (1,057)
S6567

>  <Name> (1,057)
Src Inhibitor 1

>  <Synonyms> (1,057)
N/A

>  <Target> (1,057)
Src

>  <Form> (1,057)
free base

>  <CAS> (1,057)
179248-59-0

>  <URL> (1,057)
http://www.selleck.cn/products/src-inhibitor-1.html

$$$$

csChFnd80/10202016042D

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>  <Mol_ID> (1,058)
1058

>  <Formula> (1,058)
C19H20N4O3

>  <MolWeight> (1,058)
352.3871

>  <Cat> (1,058)
S6571

>  <Name> (1,058)
BQR695

>  <Synonyms> (1,058)
NVP-BQR695

>  <Target> (1,058)
PI4K

>  <Form> (1,058)
free base

>  <CAS> (1,058)
1513879-21-4

>  <URL> (1,058)
http://www.selleck.cn/products/bqr695.html

$$$$

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M  END
>  <Mol_ID> (1,059)
1059

>  <Formula> (1,059)
C22H18ClN5O2

>  <MolWeight> (1,059)
419.86362

>  <Cat> (1,059)
S6574

>  <Name> (1,059)
KDU691

>  <Synonyms> (1,059)
N/A

>  <Target> (1,059)
PI4K

>  <Form> (1,059)
free base

>  <CAS> (1,059)
1513879-19-0

>  <URL> (1,059)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/10202016042D

 32 34  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
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 22 24  2  0  0  0  0
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M  END
>  <Mol_ID> (1,060)
1060

>  <Formula> (1,060)
C20H25F3N6O3

>  <MolWeight> (1,060)
454.4461096

>  <Cat> (1,060)
S6577

>  <Name> (1,060)
PKC-theta inhibitor

>  <Synonyms> (1,060)
N/A

>  <Target> (1,060)
PKC

>  <Form> (1,060)
free base

>  <CAS> (1,060)
736048-65-0

>  <URL> (1,060)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/10202016042D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  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
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 22 23  1  0  0  0  0
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  3 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,061)
1061

>  <Formula> (1,061)
C16H16F3N5

>  <MolWeight> (1,061)
335.3269496

>  <Cat> (1,061)
S6578

>  <Name> (1,061)
Longdaysin

>  <Synonyms> (1,061)
N/A

>  <Target> (1,061)
Casein Kinase

>  <Form> (1,061)
free base

>  <CAS> (1,061)
1353867-91-0

>  <URL> (1,061)
http://www.selleck.cn/products/longdaysin.html

$$$$

csChFnd80/10202016042D

 33 38  0  0  0  0  0  0  0  0999 V2000
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 29 32  1  0  0  0  0
 25 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,062)
1062

>  <Formula> (1,062)
C21H17N9O2S

>  <MolWeight> (1,062)
459.48378

>  <Cat> (1,062)
S8676

>  <Name> (1,062)
Glumetinib

>  <Synonyms> (1,062)
N/A

>  <Target> (1,062)
c-Met

>  <Form> (1,062)
free base

>  <CAS> (1,062)
1642581-63-2

>  <URL> (1,062)
http://www.selleck.cn/products/glumetinib.html

$$$$

csChFnd80/10202016042D

 32 35  0  0  0  0  0  0  0  0999 V2000
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Rho

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free base

>  <CAS> (1,063)
2244904-70-7

>  <URL> (1,063)
http://www.selleck.cn/products/bay-293.html

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csChFnd80/10202016042D

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N/A

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c-Met

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free base

>  <CAS> (1,064)
943540-74-7

>  <URL> (1,064)
http://www.selleck.cn/products/jnj-38877618.html

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csChFnd80/10202016042D

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>  <Formula> (1,065)
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>  <Synonyms> (1,065)
N/A

>  <Target> (1,065)
Serine/threonin kina

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free base

>  <CAS> (1,065)
2328073-61-4

>  <URL> (1,065)
http://www.selleck.cn/products/zt-12-037-01.html

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>  <Formula> (1,066)
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>  <MolWeight> (1,066)
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>  <Cat> (1,066)
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>  <Name> (1,066)
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>  <Synonyms> (1,066)
N/A

>  <Target> (1,066)
JNK

>  <Form> (1,066)
free base

>  <CAS> (1,066)
848344-36-5

>  <URL> (1,066)
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N/A

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Serine/threonin kina

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free base

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2361659-62-1

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http://www.selleck.cn/products/gsk8612.html

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1068

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C26H34N8O

>  <MolWeight> (1,068)
474.60116

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S8568

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G1T38

>  <Synonyms> (1,068)
Lerociclib

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CDK

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free base

>  <CAS> (1,068)
1628256-23-4

>  <URL> (1,068)
http://www.selleck.cn/products/g1t38.html

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>  <Synonyms> (1,069)
N/A

>  <Target> (1,069)
ALK

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>  <CAS> (1,069)
2137030-98-7

>  <URL> (1,069)
http://www.selleck.cn/products/ensartinib-dihydrochloride.html

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>  <Formula> (1,070)
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VEGFR

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Free Base

>  <CAS> (1,070)
1125780-41-7

>  <URL> (1,070)
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csChFnd80/10202016042D

 32 34  0  0  0  0  0  0  0  0999 V2000
   12.1245    0.6974    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3051   10.1698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9051   10.1698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254    2.0996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    2.0992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2761    6.2986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4666    8.4565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9867    8.4654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1783    6.2916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    4.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0633    4.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2757    4.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7005    4.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509    4.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7009    6.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    2.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4880    4.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9129    4.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4887    6.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9659    6.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1254    4.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3376    4.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7239    9.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3373    2.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 15  2  0  0  0  0
  6 22  1  0  0  0  0
  7 18  2  0  0  0  0
  7 25  1  0  0  0  0
  8 25  2  0  0  0  0
  8 31  1  0  0  0  0
  9 26  1  0  0  0  0
  9 31  2  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 32  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,081)
1081

>  <Formula> (1,081)
C22H21BrCl2N6O

>  <MolWeight> (1,081)
536.25174

>  <Cat> (1,081)
S6619

>  <Name> (1,081)
ABT 702 dihydrochloride

>  <Synonyms> (1,081)
N/A

>  <Target> (1,081)
Adenosine Receptor

>  <Form> (1,081)
Dihydrochloride

>  <CAS> (1,081)
1188890-28-9

>  <URL> (1,081)
http://www.selleck.cn/products/abt-702-dihydrochloride.html

$$$$

csChFnd80/10202016042D

 25 29  0  0  0  0  0  0  0  0999 V2000
    9.7366    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5241    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3117    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5241    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7366    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9489    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0992    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7405    0.7076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8870    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6080    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6713    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1613    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1613    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3738    2.7999    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
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  9 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 13 14  1  0  0  0  0
  8 11  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 19 22  2  0  0  0  0
  7 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,082)
1082

>  <Formula> (1,082)
C17H16N8

>  <MolWeight> (1,082)
332.36254

>  <Cat> (1,082)
S6623

>  <Name> (1,082)
APY29

>  <Synonyms> (1,082)
N/A

>  <Target> (1,082)
IRE1

>  <Form> (1,082)
Free Base

>  <CAS> (1,082)
1216665-49-4

>  <URL> (1,082)
http://www.selleck.cn/products/apy29.html

$$$$

csChFnd80/10202016042D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    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
   10.9119    2.1000    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
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 23 24  2  0  0  0  0
 22 24  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 25  1  0  0  0  0
 15 18  1  0  0  0  0
 12 15  1  0  0  0  0
 13 26  1  0  0  0  0
 11 27  1  0  0  0  0
  8  9  1  0  0  0  0
  5 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,083)
1083

>  <Formula> (1,083)
C18H13ClF2N6O

>  <MolWeight> (1,083)
402.7852264

>  <Cat> (1,083)
S6636

>  <Name> (1,083)
Azaindole 1 (TC-S 7001)

>  <Synonyms> (1,083)
N/A

>  <Target> (1,083)
ROCK

>  <Form> (1,083)
Free Base

>  <CAS> (1,083)
867017-68-3

>  <URL> (1,083)
http://www.selleck.cn/products/azaindole-1.html

$$$$

csChFnd80/10202016042D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  7  1  0  0  0  0
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  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 18  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,084)
1084

>  <Formula> (1,084)
C18H17BrN2O3

>  <MolWeight> (1,084)
389.24318

>  <Cat> (1,084)
S6710

>  <Name> (1,084)
SGC-GAK-1

>  <Synonyms> (1,084)
N/A

>  <Target> (1,084)
CDK

>  <Form> (1,084)
Free Base

>  <CAS> (1,084)
2226517-76-4

>  <URL> (1,084)
http://www.selleck.cn/products/sgc-gak-1.html

$$$$

csChFnd80/10202016042D

 19 22  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.9579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.1579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6138    5.0220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,090)
1090

>  <Formula> (1,090)
C21H23ClFNO2

>  <MolWeight> (1,090)
375.8642232

>  <Cat> (1,090)
S6727

>  <Name> (1,090)
AX-024 HCl

>  <Synonyms> (1,090)
N/A

>  <Target> (1,090)
CDK

>  <Form> (1,090)
Hydrochloride

>  <CAS> (1,090)
1704801-24-0

>  <URL> (1,090)
http://www.selleck.cn/products/ax-024-hcl.html

$$$$

csChFnd80/10202016042D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  3  2  1  0  0  0  0
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 13  9  1  0  0  0  0
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 10  6  1  0  0  0  0
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 18 16  1  0  0  0  0
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 23 24  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 28  1  0  0  0  0
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 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,091)
1091

>  <Formula> (1,091)
C22H25ClN6O

>  <MolWeight> (1,091)
424.9265

>  <Cat> (1,091)
S6730

>  <Name> (1,091)
CC-401 Hydrochloride

>  <Synonyms> (1,091)
N/A

>  <Target> (1,091)
JNK

>  <Form> (1,091)
Hydrochloride

>  <CAS> (1,091)
1438391-30-0

>  <URL> (1,091)
http://www.selleck.cn/products/cc-401-hydrochloride.html

$$$$

csChFnd80/10202016042D

 27 28  0  0  0  0  0  0  0  0999 V2000
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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
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,092)
1092

>  <Formula> (1,092)
C19H22Cl2FN5

>  <MolWeight> (1,092)
410.3158832

>  <Cat> (1,092)
S6734

>  <Name> (1,092)
PF-670462

>  <Synonyms> (1,092)
N/A

>  <Target> (1,092)
Casein Kinase

>  <Form> (1,092)
Free Base

>  <CAS> (1,092)
950912-80-8

>  <URL> (1,092)
http://www.selleck.cn/products/pf-670462.html

$$$$

csChFnd80/10202016042D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,093)
1093

>  <Formula> (1,093)
C17H15N5O2

>  <MolWeight> (1,093)
321.3333

>  <Cat> (1,093)
S6740

>  <Name> (1,093)
DB07268

>  <Synonyms> (1,093)
N/A

>  <Target> (1,093)
JNK

>  <Form> (1,093)
Free Base

>  <CAS> (1,093)
929007-72-7

>  <URL> (1,093)
http://www.selleck.cn/products/db07268.html

$$$$

csChFnd80/10202016042D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,094)
1094

>  <Formula> (1,094)
C16H17N3O2

>  <MolWeight> (1,094)
283.32508

>  <Cat> (1,094)
S6751

>  <Name> (1,094)
Brevianamide F

>  <Synonyms> (1,094)
N/A

>  <Target> (1,094)
Others

>  <Form> (1,094)
Free Base

>  <CAS> (1,094)
38136-70-8

>  <URL> (1,094)
http://www.selleck.cn/products/brevianamide-f.html

$$$$

csChFnd80/10202016042D

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Rho

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429653-73-6

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csChFnd80/10202016042D

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2152628-33-4

>  <URL> (1,096)
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EGFR

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1661854-97-2

>  <URL> (1,097)
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csChFnd80/10202016042D

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1448169-71-8

>  <URL> (1,100)
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   12.9184   13.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3511   15.0061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7205   15.2972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4143   16.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1175    1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3299    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5382    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3299    3.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7464    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9546    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1629    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3711    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5793    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3711    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 14 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (1,106)
1106

>  <Formula> (1,106)
C29H34FN5O5

>  <MolWeight> (1,106)
551.6091632

>  <Cat> (1,106)
S8901

>  <Name> (1,106)
DS-6051b

>  <Synonyms> (1,106)
N/A

>  <Target> (1,106)
ROS

>  <Form> (1,106)
Free Base

>  <CAS> (1,106)
1505515-69-4

>  <URL> (1,106)
http://www.selleck.cn/products/ds-6051b.html

$$$$

csChFnd80/10202016042D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.8918    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    9.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    6.9883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    4.8953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4707    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4707    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3084    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    4.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,107)
1107

>  <Formula> (1,107)
C21H25N3O4

>  <MolWeight> (1,107)
383.4409

>  <Cat> (1,107)
S2184

>  <Name> (1,107)
WDR5-0103

>  <Synonyms> (1,107)
WD-Repeat Protein 5-0103

>  <Target> (1,107)
Histone Methyltransferase

>  <Form> (1,107)
Free Base

>  <CAS> (1,107)
890190-22-4

>  <URL> (1,107)
http://www.selleck.cn/products/wdr5-0103.html

$$$$

csChFnd80/10202016042D

 21 20  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.1001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5497    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9745    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1871    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3996    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6119    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8245    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  6  0  0  0
  2 21  1  1  0  0  0
M  END
>  <Mol_ID> (1,108)
1108

>  <Formula> (1,108)
C18H37NO2

>  <MolWeight> (1,108)
299.49188

>  <Cat> (1,108)
S2210

>  <Name> (1,108)
Sphingosine

>  <Synonyms> (1,108)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (1,108)
Others

>  <Form> (1,108)
Free Base

>  <CAS> (1,108)
123-78-4

>  <URL> (1,108)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/10202016042D

 28 32  0  0  0  0  0  0  0  0999 V2000
    6.9865    7.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1993    7.2424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1993    5.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9830    5.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7752    5.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7752    7.2467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2328    4.9017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2677    3.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6722    3.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5673    5.1385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250    5.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8743    5.5013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1548    5.0104    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0792    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3699    2.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7819    2.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4803    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7802    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3775    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6759    1.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3340    2.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7658    1.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8285    0.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4592    0.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274    1.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9644    3.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  8  9  2  0  0  0  0
  7  9  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 13 11  1  6  0  0  0
 10 11  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
  9 17  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 23 28  2  0  0  0  0
  8 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,109)
1109

>  <Formula> (1,109)
C23H21N3O2

>  <MolWeight> (1,109)
371.43174

>  <Cat> (1,109)
S2212

>  <Name> (1,109)
AIM-100

>  <Synonyms> (1,109)
N/A

>  <Target> (1,109)
ACK

>  <Form> (1,109)
Free Base

>  <CAS> (1,109)
873305-35-2

>  <URL> (1,109)
http://www.selleck.cn/products/aim-100.html

$$$$

csChFnd80/10202016042D

 37 41  0  0  0  0  0  0  0  0999 V2000
   10.8165    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5128   11.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5994    1.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4041    5.5464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4479   10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9475   12.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8178   10.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3174   12.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2526   11.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1430   10.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7082    9.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3383    9.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6433    8.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9036    7.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2087    7.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8389    6.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5994    3.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0343    5.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4165    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    6.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292    6.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5338    7.6301    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
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7940    7.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    8.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2286    8.3831    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 23  2  0  0  0  0
  2 29  2  0  0  0  0
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334951-90-5

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S2249

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N/A

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Casein Kinase

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Free Base

>  <CAS> (1,111)
1188296-52-7

>  <URL> (1,111)
http://www.selleck.cn/products/pf-4800567.html

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csChFnd80/10202016042D

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1112

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VEGFR

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Free Base

>  <CAS> (1,112)
15966-93-5

>  <URL> (1,112)
http://www.selleck.cn/products/su5408.html

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csChFnd80/10202016042D

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>  <Formula> (1,113)
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>  <MolWeight> (1,113)
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>  <CAS> (1,113)
1464151-33-4

>  <URL> (1,113)
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1922098-69-8

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1402608-02-9

>  <URL> (1,118)
http://www.selleck.cn/products/bay1125976.html

$$$$

csChFnd80/10202016042D

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>  <Mol_ID> (1,119)
1119

>  <Formula> (1,119)
C26H21F2N5O2S

>  <MolWeight> (1,119)
505.5390464

>  <Cat> (1,119)
S8882

>  <Name> (1,119)
ODM-203

>  <Synonyms> (1,119)
N/A

>  <Target> (1,119)
FGFR

>  <Form> (1,119)
Free Base

>  <CAS> (1,119)
1430723-35-5

>  <URL> (1,119)
http://www.selleck.cn/products/odm-203.html

$$$$

csChFnd80/10202016042D

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>  <Mol_ID> (1,120)
1120

>  <Formula> (1,120)
C21H23N4O7PS2

>  <MolWeight> (1,120)
538.533681

>  <Cat> (1,120)
S8927

>  <Name> (1,120)
GSK2983559 (compound 3)

>  <Synonyms> (1,120)
RIP2 kinase inhibitor 1,RIPK2-IN-1

>  <Target> (1,120)
RIP

>  <Form> (1,120)
Free Base

>  <CAS> (1,120)
1579965-12-0

>  <URL> (1,120)
http://www.selleck.cn/products/gsk2983559-compound-3.html

$$$$

csChFnd80/10202016042D

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>  <Mol_ID> (1,121)
1121

>  <Formula> (1,121)
C33H40O18

>  <MolWeight> (1,121)
724.6599

>  <Cat> (1,121)
S9096

>  <Name> (1,121)
ligustroflavone

>  <Synonyms> (1,121)
Nuezhenoside

>  <Target> (1,121)
AMPK

>  <Form> (1,121)
Free Base

>  <CAS> (1,121)
260413-62-5

>  <URL> (1,121)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

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1122

>  <Formula> (1,122)
C42H66O14

>  <MolWeight> (1,122)
794.96504

>  <Cat> (1,122)
S9116

>  <Name> (1,122)
Chikusetsusaponin Iva

>  <Synonyms> (1,122)
Calenduloside F

>  <Target> (1,122)
Immunology & Inflammation related

>  <Form> (1,122)
Free Base

>  <CAS> (1,122)
51415-02-2

>  <URL> (1,122)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

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1123

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C42H72O13

>  <MolWeight> (1,123)
785.01328

>  <Cat> (1,123)
S9117

>  <Name> (1,123)
(20S)Ginsenoside Rg2

>  <Synonyms> (1,123)
N/A

>  <Target> (1,123)
Others

>  <Form> (1,123)
Free Base

>  <CAS> (1,123)
52286-74-5

>  <URL> (1,123)
http://www.selleck.cn/products/20s-ginsenoside-rg2.html

$$$$

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M  END
>  <Mol_ID> (1,124)
1124

>  <Formula> (1,124)
C45H73NO15

>  <MolWeight> (1,124)
868.05882

>  <Cat> (1,124)
S9145

>  <Name> (1,124)
Solamargine

>  <Synonyms> (1,124)
N/A

>  <Target> (1,124)
P-gp

>  <Form> (1,124)
Free Base

>  <CAS> (1,124)
20311-51-7

>  <URL> (1,124)
http://www.selleck.cn/products/solamargine.html

$$$$

csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,125)
1125

>  <Formula> (1,125)
C32H42O16

>  <MolWeight> (1,125)
682.66628

>  <Cat> (1,125)
S9215

>  <Name> (1,125)
Pinoresinol diglucoside

>  <Synonyms> (1,125)
N/A

>  <Target> (1,125)
Others

>  <Form> (1,125)
Free Base

>  <CAS> (1,125)
63902-38-5

>  <URL> (1,125)
http://www.selleck.cn/products/pinoresinol-diglucoside.html

$$$$

csChFnd80/10202016042D

 39 43  0  0  0  0  0  0  0  0999 V2000
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Free Base

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882663-88-9

>  <URL> (1,126)
http://www.selleck.cn/products/.html

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csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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1127

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281.3059

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S2272

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Indoprofen

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N/A

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PDK

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Free Base

>  <CAS> (1,127)
31842-01-0

>  <URL> (1,127)
http://www.selleck.cn/products/indoprofen.html

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 34 39  0  0  0  0  0  0  0  0999 V2000
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1128

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C21H20Cl2N10O

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N/A

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CDK

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Free Base

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2387704-62-1

>  <URL> (1,128)
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csChFnd80/10202016042D

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1129

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405.24136

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CDK

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>  <CAS> (1,129)
2241300-51-4

>  <URL> (1,129)
http://www.selleckchem.com/products/as2863619.html

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 38 43  0  0  0  0  0  0  0  0999 V2000
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221243-82-9

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M  END
>  <Mol_ID> (1,142)
1142

>  <Formula> (1,142)
C15H10FNO

>  <MolWeight> (1,142)
239.2444032

>  <Cat> (1,142)
S6808

>  <Name> (1,142)
SU5205

>  <Synonyms> (1,142)
N/A

>  <Target> (1,142)
VEGFR

>  <Form> (1,142)
Free Base

>  <CAS> (1,142)
3476-86-6

>  <URL> (1,142)
http://www.selleckchem.com/products/su-5205.html

$$$$

csChFnd80/10202016042D

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>  <Mol_ID> (1,143)
1143

>  <Formula> (1,143)
C16H13NO2

>  <MolWeight> (1,143)
251.27992

>  <Cat> (1,143)
S6809

>  <Name> (1,143)
SU5214

>  <Synonyms> (1,143)
N/A

>  <Target> (1,143)
EGFR

>  <Form> (1,143)
Free Base

>  <CAS> (1,143)
186611-04-1

>  <URL> (1,143)
http://www.selleckchem.com/products/su-5214.html

$$$$

csChFnd80/10202016042D

 43 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,144)
1144

>  <Formula> (1,144)
C32H39N7O4

>  <MolWeight> (1,144)
585.69656

>  <Cat> (1,144)
S6813

>  <Name> (1,144)
Mobocertinib (TAK788)

>  <Synonyms> (1,144)
AP32788

>  <Target> (1,144)
EGFR

>  <Form> (1,144)
Free Base

>  <CAS> (1,144)
1847461-43-1

>  <URL> (1,144)
http://www.selleckchem.com/products/tak788.html

$$$$

csChFnd80/10202016042D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,145)
1145

>  <Formula> (1,145)
C26H27N3O2

>  <MolWeight> (1,145)
413.51148

>  <Cat> (1,145)
S0118

>  <Name> (1,145)
SBC-1107326

>  <Synonyms> (1,145)
N/A

>  <Target> (1,145)
PCSK9

>  <Form> (1,145)
Free Base

>  <CAS> (1,145)
1629166-02-4

>  <URL> (1,145)
http://www.selleckchem.com/products/sbc-1107326.html

$$$$

csChFnd80/10202016042D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,146)
1146

>  <Formula> (1,146)
C21H18F3N5O

>  <MolWeight> (1,146)
413.3957296

>  <Cat> (1,146)
S0360

>  <Name> (1,146)
EGFR?Inhibitor

>  <Synonyms> (1,146)
N/A

>  <Target> (1,146)
EGFR

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Free Base

>  <CAS> (1,146)
879127-07-8

>  <URL> (1,146)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

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1147

>  <Formula> (1,147)
C26H34N6O3S

>  <MolWeight> (1,147)
510.65156

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S0391

>  <Name> (1,147)
TG-89

>  <Synonyms> (1,147)
N/A

>  <Target> (1,147)
JAK

>  <Form> (1,147)
Free Base

>  <CAS> (1,147)
936091-56-4

>  <URL> (1,147)
http://www.selleckchem.com/products/tg-89.html

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csChFnd80/10202016042D

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>  <Mol_ID> (1,148)
1148

>  <Formula> (1,148)
C24H28N6O3S

>  <MolWeight> (1,148)
480.58252

>  <Cat> (1,148)
S0487

>  <Name> (1,148)
Sulfatinib

>  <Synonyms> (1,148)
HMPL-012, Sufatinib, Surfatinib

>  <Target> (1,148)
CSF-1R

>  <Form> (1,148)
Free Base

>  <CAS> (1,148)
1308672-74-3

>  <URL> (1,148)
http://www.selleckchem.com/products/sulfatinib.html

$$$$

csChFnd80/10202016042D

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>  <Mol_ID> (1,149)
1149

>  <Formula> (1,149)
C20H25ClN6O3

>  <MolWeight> (1,149)
432.9039

>  <Cat> (1,149)
S0500

>  <Name> (1,149)
Purvalanol B

>  <Synonyms> (1,149)
NG 95

>  <Target> (1,149)
CDK

>  <Form> (1,149)
Free Base

>  <CAS> (1,149)
212844-54-7

>  <URL> (1,149)
http://www.selleckchem.com/products/purvalanol-b-ng-95.html

$$$$

csChFnd80/10202016042D

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>  <Mol_ID> (1,150)
1150

>  <Formula> (1,150)
C14H10BrNOS

>  <MolWeight> (1,150)
320.2043

>  <Cat> (1,150)
S0523

>  <Name> (1,150)
SB?4

>  <Synonyms> (1,150)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (1,150)
TGF-beta/Smad

>  <Form> (1,150)
Free Base

>  <CAS> (1,150)
100874-08-6

>  <URL> (1,150)
http://www.selleckchem.com/products/sb-4.html

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Pim

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Free Base

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491871-58-0

>  <URL> (1,151)
http://www.selleckchem.com/products/tcs-pim-1-1.html

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csChFnd80/10202016042D

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>  <Mol_ID> (1,152)
1152

>  <Formula> (1,152)
C18H14N2O3

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306.31536

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S6805

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Tyrphostin AG-528

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Tyrphostin B66, AG 528

>  <Target> (1,152)
EGFR

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Free Base

>  <CAS> (1,152)
133550-49-9

>  <URL> (1,152)
http://www.selleckchem.com/products/tyrphostin-ag-528.html

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csChFnd80/10202016042D

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>  <Mol_ID> (1,153)
1153

>  <Formula> (1,153)
C24H26N2O3S

>  <MolWeight> (1,153)
422.53984

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S6836

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TH-257

>  <Synonyms> (1,153)
N/A

>  <Target> (1,153)
LIM kinase

>  <Form> (1,153)
Free Base

>  <CAS> (1,153)
2244678-29-1

>  <URL> (1,153)
http://www.selleckchem.com/products/th-257.html

$$$$

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>  <Mol_ID> (1,154)
1154

>  <Formula> (1,154)
C20H19ClN6O2

>  <MolWeight> (1,154)
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>  <Cat> (1,154)
S6837

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>  <Target> (1,154)
LIM kinase

>  <Form> (1,154)
Free Base

>  <CAS> (1,154)
2097938-51-5

>  <URL> (1,154)
http://www.selleckchem.com/products/r-10015.html

$$$$

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VEGFR

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1013920-15-4

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623142-96-1

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ALK

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909910-43-6

>  <URL> (1,157)
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JNK

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894804-07-0

>  <URL> (1,158)
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PKC

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Free Base

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82-08-6

>  <URL> (1,159)
http://www.selleckchem.com/products/rottlerin.html

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N/A

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CDK

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>  <CAS> (1,160)
1604810-84-5

>  <URL> (1,160)
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csChFnd80/10202016042D

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>  <CAS> (1,161)
1927857-56-4

>  <URL> (1,161)
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1513857-77-6

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M  END
>  <Mol_ID> (1,174)
1174

>  <Formula> (1,174)
C19H11ClN3NaO2

>  <MolWeight> (1,174)
371.75231

>  <Cat> (1,174)
S0707

>  <Name> (1,174)
Silmitasertib sodium salt

>  <Target> (1,174)
Casein Kinase

>  <Form> (1,174)
sodium

>  <CAS> (1,174)
1309357-15-0

>  <URL> (1,174)
http://www.selleckchem.com/products/silmitasertib-sodium-salt.html

$$$$

csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,175)
1175

>  <Formula> (1,175)
C23H40N2O3

>  <MolWeight> (1,175)
392.5753

>  <Cat> (1,175)
S0752

>  <Name> (1,175)
AUDA

>  <Target> (1,175)
Epoxide Hydrolase

>  <Form> (1,175)
free base

>  <CAS> (1,175)
479413-70-2

>  <URL> (1,175)
http://www.selleckchem.com/products/auda.html

$$$$

csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,176)
1176

>  <Formula> (1,176)
C25H34N6O8S2

>  <MolWeight> (1,176)
610.70286

>  <Cat> (1,176)
S0785

>  <Name> (1,176)
Apilimod mesylate

>  <Target> (1,176)
Interleukins

>  <Form> (1,176)
mesylate

>  <CAS> (1,176)
870087-36-8

>  <URL> (1,176)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/10202016042D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,177)
1177

>  <Formula> (1,177)
C11H15ClN4O4

>  <MolWeight> (1,177)
302.7142

>  <Cat> (1,177)
S0787

>  <Name> (1,177)
3-Deazaadenosine hydrochloride

>  <Target> (1,177)
TNF-alpha

>  <Form> (1,177)
hydrochloride

>  <CAS> (1,177)
86583-19-9

>  <URL> (1,177)
http://www.selleckchem.com/products/3-deazaadenosine-hydrochloride.html

$$$$

csChFnd80/10202016042D

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M  END
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1178

>  <Formula> (1,178)
C23H15F8N3OS

>  <MolWeight> (1,178)
533.4369256

>  <Cat> (1,178)
S0819

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BL-918

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ULK

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free base

>  <CAS> (1,178)
2101517-69-3

>  <URL> (1,178)
http://www.selleckchem.com/products/bl-918.html

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1179

>  <Formula> (1,179)
C30H48O7

>  <MolWeight> (1,179)
520.69792

>  <Cat> (1,179)
S0949

>  <Name> (1,179)
Cucurbitacin IIb

>  <Target> (1,179)
STAT

>  <Form> (1,179)
free base

>  <CAS> (1,179)
50298-90-3

>  <URL> (1,179)
http://www.selleckchem.com/products/curcubitacin-iib.html

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csChFnd80/10202016042D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,180)
1180

>  <Formula> (1,180)
C7H7NO2

>  <MolWeight> (1,180)
137.13598

>  <Cat> (1,180)
S3220

>  <Name> (1,180)
Trigonelline

>  <Target> (1,180)
Phospholipase (e.g. 

>  <Form> (1,180)
free base

>  <CAS> (1,180)
535-83-1

>  <URL> (1,180)
http://www.selleckchem.com/products/trigonelline.html

$$$$

csChFnd80/10202016042D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,181)
1181

>  <Formula> (1,181)
C7H14O6

>  <MolWeight> (1,181)
194.18246

>  <Cat> (1,181)
S3223

>  <Name> (1,181)
L-Quebrachitol

>  <Target> (1,181)
TGF-beta/Smad

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free base

>  <CAS> (1,181)
642-38-6

>  <URL> (1,181)
http://www.selleckchem.com/products/l-quebrachitol.html

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csChFnd80/10202016042D

 32 37  0  0  0  0  0  0  0  0999 V2000
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1182

>  <Formula> (1,182)
C26H34O6

>  <MolWeight> (1,182)
442.54456

>  <Cat> (1,182)
S3224

>  <Name> (1,182)
Cinobufagin

>  <Target> (1,182)
ATM/ATR

>  <Form> (1,182)
free base

>  <CAS> (1,182)
470-37-1

>  <URL> (1,182)
http://www.selleckchem.com/products/cinobufagin.html

$$$$

csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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1183

>  <Formula> (1,183)
C20H28O2

>  <MolWeight> (1,183)
300.43512

>  <Cat> (1,183)
S3226

>  <Name> (1,183)
Dehydroabietic acid

>  <Target> (1,183)
Anti-infection

>  <Form> (1,183)
free base

>  <CAS> (1,183)
1740-19-8

>  <URL> (1,183)
http://www.selleckchem.com/products/dehydroabietic-acid.html

$$$$

csChFnd80/10202016042D

 36 39  0  0  0  0  0  0  0  0999 V2000
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  2 33  1  0  0  0  0
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 17 13  1  6  0  0  0
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 27 28  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (1,184)
1184

>  <Formula> (1,184)
C29H41ClN2O4

>  <MolWeight> (1,184)
517.09984

>  <Cat> (1,184)
S3233

>  <Name> (1,184)
Emetine hydrochloride

>  <Target> (1,184)
HIF

>  <Form> (1,184)
hydrochloride

>  <CAS> (1,184)
14198-59-5

>  <URL> (1,184)
http://www.selleckchem.com/products/emetine-hydrochloride.html

$$$$

csChFnd80/10202016042D

 28 33  0  0  0  0  0  0  0  0999 V2000
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  8  1  1  1  0  0  0
 24  2  1  1  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 20  1  1  0  0  0
 12 16  1  0  0  0  0
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 13 14  1  0  0  0  0
 15 18  1  0  0  0  0
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 20 25  1  0  0  0  0
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 21 24  1  0  0  0  0
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 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,185)
1185

>  <Formula> (1,185)
C24H32O4

>  <MolWeight> (1,185)
384.50848

>  <Cat> (1,185)
S3238

>  <Name> (1,185)
Resibufogenin

>  <Target> (1,185)
RIP kinase

>  <Form> (1,185)
free base

>  <CAS> (1,185)
465-39-4

>  <URL> (1,185)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/10202016042D

 37 39  0  0  0  0  0  0  0  0999 V2000
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 28 29  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <Mol_ID> (1,186)
1186

>  <Formula> (1,186)
C29H42Cl2N2O4

>  <MolWeight> (1,186)
553.56078

>  <Cat> (1,186)
S3239

>  <Name> (1,186)
Emetine Dihydrochloride

>  <Target> (1,186)
HIF

>  <Form> (1,186)
Dihydrochloride

>  <CAS> (1,186)
316-42-7

>  <URL> (1,186)
http://www.selleckchem.com/products/emetine-dihydrochloride.html

$$$$

csChFnd80/10202016042D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0  0  0  0
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 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,187)
1187

>  <Formula> (1,187)
C17H18O4

>  <MolWeight> (1,187)
286.32242

>  <Cat> (1,187)
S3241

>  <Name> (1,187)
Loureirin A

>  <Target> (1,187)
Akt

>  <Form> (1,187)
free base

>  <CAS> (1,187)
119425-89-7

>  <URL> (1,187)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/10202016042D

 23 24  0  0  0  0  0  0  0  0999 V2000
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S3242

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Loureirin B

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PAI-1

>  <Form> (1,188)
free base

>  <CAS> (1,188)
119425-90-0

>  <URL> (1,188)
http://www.selleckchem.com/products/loureirin-b.html

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>  <Mol_ID> (1,189)
1189

>  <Formula> (1,189)
C27H30O15

>  <MolWeight> (1,189)
594.5181

>  <Cat> (1,189)
S3267

>  <Name> (1,189)
Kaempferol-3-O-rutinoside

>  <Target> (1,189)
Apoptosis related

>  <Form> (1,189)
free base

>  <CAS> (1,189)
17650-84-9

>  <URL> (1,189)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/10202016042D

 16 17  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (1,190)
C12H16O4

>  <MolWeight> (1,190)
224.25304

>  <Cat> (1,190)
S3275

>  <Name> (1,190)
Senkyunolide I

>  <Target> (1,190)
ERK

>  <Form> (1,190)
free base

>  <CAS> (1,190)
94596-28-8

>  <URL> (1,190)
http://www.selleckchem.com/products/senkyunolide-i.html

$$$$

csChFnd80/10202016042D

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>  <Mol_ID> (1,191)
1191

>  <Formula> (1,191)
C27H30O15

>  <MolWeight> (1,191)
594.5181

>  <Cat> (1,191)
S3278

>  <Name> (1,191)
Kaempferol-3-O-neohesperidoside

>  <Target> (1,191)
Carbohydrate Metabol

>  <Form> (1,191)
free base

>  <CAS> (1,191)
32602-81-6

>  <URL> (1,191)
http://www.selleckchem.com/products/kaempferol-3-o-neohesperidoside.html

$$$$

csChFnd80/10202016042D

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 30 25  1  0  0  0  0
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 29 32  1  0  0  0  0
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 19 39  1  6  0  0  0
M  END
>  <Mol_ID> (1,192)
1192

>  <Formula> (1,192)
C27H34O12

>  <MolWeight> (1,192)
550.55166

>  <Cat> (1,192)
S3284

>  <Name> (1,192)
Tracheloside

>  <Target> (1,192)
phosphatase

>  <Form> (1,192)
free base

>  <CAS> (1,192)
33464-71-0

>  <URL> (1,192)
http://www.selleckchem.com/products/tracheloside.html

$$$$

csChFnd80/10202016042D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  8 12  2  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
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 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
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M  END
>  <Mol_ID> (1,193)
1193

>  <Formula> (1,193)
C19H12O7

>  <MolWeight> (1,193)
352.29438

>  <Cat> (1,193)
S3289

>  <Name> (1,193)
Daphnoretin

>  <Target> (1,193)
PKC

>  <Form> (1,193)
free base

>  <CAS> (1,193)
2034-69-7

>  <URL> (1,193)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/10202016042D

 19 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (1,194)
1194

>  <Formula> (1,194)
C17H24O2

>  <MolWeight> (1,194)
260.37126

>  <Cat> (1,194)
S3292

>  <Name> (1,194)
Falcarindiol

>  <Target> (1,194)
NOS

>  <Form> (1,194)
free base

>  <CAS> (1,194)
225110-25-8

>  <URL> (1,194)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/10202016042D

 20 22  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> (1,195)
1195

>  <Formula> (1,195)
C16H17NO3

>  <MolWeight> (1,195)
271.31108

>  <Cat> (1,195)
S3294

>  <Name> (1,195)
Demethyl-Coclaurine

>  <Target> (1,195)
Adrenergic Receptor

>  <Form> (1,195)
free base

>  <CAS> (1,195)
5843-65-2

>  <URL> (1,195)
http://www.selleckchem.com/products/demethyl-coclaurine.html

$$$$

csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,196)
1196

>  <Formula> (1,196)
C16H12O6

>  <MolWeight> (1,196)
300.26288

>  <Cat> (1,196)
S3296

>  <Name> (1,196)
Hispidulin

>  <Target> (1,196)
Pim

>  <Form> (1,196)
free base

>  <CAS> (1,196)
1447-88-7

>  <URL> (1,196)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/10202016042D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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  1 12  1  0  0  0  0
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  3 13  1  1  0  0  0
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 12 14  2  0  0  0  0
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  7 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,197)
1197

>  <Formula> (1,197)
C12H16N2O

>  <MolWeight> (1,197)
204.26824

>  <Cat> (1,197)
S3298

>  <Name> (1,197)
Caulophylline (N-Methylcytisine)

>  <Target> (1,197)
AChR

>  <Form> (1,197)
free base

>  <CAS> (1,197)
486-86-2 (63699-79-6, 207-643-8)

>  <URL> (1,197)
http://www.selleckchem.com/products/caulophylline-n-methylcytisine-.html

$$$$

csChFnd80/10202016042D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 14  8  1  0  0  0  0
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 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
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  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,198)
1198

>  <Formula> (1,198)
C19H18NO4+

>  <MolWeight> (1,198)
324.35052

>  <Cat> (1,198)
S3299

>  <Name> (1,198)
Demethyleneberberine

>  <Target> (1,198)
Peroxidases

>  <Form> (1,198)
free base

>  <CAS> (1,198)
25459-91-0

>  <URL> (1,198)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/10202016042D

 34 36  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
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  1 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,199)
1199

>  <Formula> (1,199)
C27H33ClN2O4

>  <MolWeight> (1,199)
485.01492

>  <Cat> (1,199)
S6760

>  <Name> (1,199)
LM22B-10

>  <Target> (1,199)
Trk receptor

>  <Form> (1,199)
free base

>  <CAS> (1,199)
342777-54-2

>  <URL> (1,199)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/10202016042D

 31 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,200)
1200

>  <Formula> (1,200)
C20H15F3N8

>  <MolWeight> (1,200)
424.3819096

>  <Cat> (1,200)
S6762

>  <Name> (1,200)
Bozitinib (PLB-1001)

>  <Target> (1,200)
c-Met

>  <Form> (1,200)
free base

>  <CAS> (1,200)
1440964-89-5

>  <URL> (1,200)
http://www.selleckchem.com/products/bozitinib.html

$$$$

csChFnd80/10202016042D

 33 38  0  0  0  0  0  0  0  0999 V2000
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1201

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C27H24N6

>  <MolWeight> (1,201)
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>  <Cat> (1,201)
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Miransertib (ARQ-092)

>  <Target> (1,201)
Akt

>  <Form> (1,201)
free base

>  <CAS> (1,201)
1313881-70-7

>  <URL> (1,201)
http://www.selleckchem.com/products/miransertib.html

$$$$

csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,202)
1202

>  <Formula> (1,202)
C15H18Cl2N2O2S

>  <MolWeight> (1,202)
361.28662

>  <Cat> (1,202)
S6847

>  <Name> (1,202)
ML-9 HCl

>  <Target> (1,202)
Akt

>  <Form> (1,202)
hydrochloride

>  <CAS> (1,202)
105637-50-1

>  <URL> (1,202)
http://www.selleckchem.com/products/ml-9-hcl.html

$$$$

csChFnd80/10202016042D

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>  <Mol_ID> (1,203)
1203

>  <Formula> (1,203)
C28H23Cl5N2O2

>  <MolWeight> (1,203)
596.75942

>  <Cat> (1,203)
S6851

>  <Name> (1,203)
RA-190

>  <Target> (1,203)
Proteasome

>  <Form> (1,203)
free base

>  <CAS> (1,203)
1617495-03-0

>  <URL> (1,203)
http://www.selleckchem.com/products/ra-190.html

$$$$

csChFnd80/10202016042D

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>  <Formula> (1,204)
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>  <MolWeight> (1,204)
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>  <Cat> (1,204)
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>  <Name> (1,204)
Alflutinib (AST2818) mesylate

>  <Target> (1,204)
EGFR

>  <Form> (1,204)
mesylate

>  <CAS> (1,204)
1869057-83-9

>  <URL> (1,204)
http://www.selleckchem.com/products/alflutinib-ast2818-.html

$$$$

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1394820-69-9

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487020-03-1

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2095704-43-9

>  <URL> (1,207)
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1613710-01-2

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>  <Formula> (1,211)
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>  <MolWeight> (1,211)
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free base

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1610358-56-9

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free base

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1181770-72-8

>  <URL> (1,213)
http://www.selleckchem.com/products/emd638683.html

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GSK3145095

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RIP kinase

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free base

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1622849-43-7

>  <URL> (1,214)
http://www.selleckchem.com/products/gsk3145095.html

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Ras

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free base

>  <CAS> (1,215)
2230836-55-0

>  <URL> (1,215)
http://www.selleckchem.com/products/bi-3406.html

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GCN2iB

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Serine/threonin kina

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free base

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2183470-12-2

>  <URL> (1,216)
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M  END
>  <Mol_ID> (1,218)
1218

>  <Formula> (1,218)
C26H28F3N7O2

>  <MolWeight> (1,218)
527.5414296

>  <Cat> (1,218)
S8976

>  <Name> (1,218)
DCLK1-IN-1

>  <Target> (1,218)
Serine/threonin kina

>  <Form> (1,218)
free base

>  <CAS> (1,218)
2222635-15-4

>  <URL> (1,218)
http://www.selleckchem.com/products/dclk1-in-1.html

$$$$

csChFnd80/10202016042D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,219)
1219

>  <Formula> (1,219)
C27H37ClN6O2

>  <MolWeight> (1,219)
513.07468

>  <Cat> (1,219)
S8981

>  <Name> (1,219)
NVP-2

>  <Target> (1,219)
CDK

>  <Form> (1,219)
free base

>  <CAS> (1,219)
1263373-43-8

>  <URL> (1,219)
http://www.selleckchem.com/products/nvp-2.html

$$$$

csChFnd80/10202016042D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,220)
1220

>  <Formula> (1,220)
C26H25N3O3

>  <MolWeight> (1,220)
427.495

>  <Cat> (1,220)
S9600

>  <Name> (1,220)
Orelabrutinib

>  <Target> (1,220)
BTK

>  <Form> (1,220)
free base

>  <CAS> (1,220)
1655504-04-3

>  <URL> (1,220)
http://www.selleckchem.com/products/orelabrutinib.html

$$$$

csChFnd80/10202016042D

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1422365-93-2

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free base

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57818-44-7

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1130115-44-4

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  3  4  2  0  0  0  0
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 29 33  1  0  0  0  0
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M  END
>  <Mol_ID> (1,226)
1226

>  <Formula> (1,226)
C25H20FN7O

>  <MolWeight> (1,226)
453.4710032

>  <Cat> (1,226)
S9658

>  <Name> (1,226)
SP-146

>  <Target> (1,226)
Aurora Kinase

>  <Form> (1,226)
free base

>  <CAS> (1,226)
No

>  <URL> (1,226)
http://www.selleckchem.com/products/sp-146.html

$$$$

csChFnd80/10202016042D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,227)
1227

>  <Formula> (1,227)
C27H27F2N5O3

>  <MolWeight> (1,227)
507.5317864

>  <Cat> (1,227)
S9660

>  <Name> (1,227)
Remibrutinib (LOU064)

>  <Target> (1,227)
BTK

>  <Form> (1,227)
free base

>  <CAS> (1,227)
1787294-07-8

>  <URL> (1,227)
http://www.selleckchem.com/products/remibrutinib-lou064.html

$$$$

csChFnd80/10202016042D

 35 39  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,228)
1228

>  <Formula> (1,228)
C28H40N6O

>  <MolWeight> (1,228)
476.6568

>  <Cat> (1,228)
S9662

>  <Name> (1,228)
UNC2025

>  <Target> (1,228)
FLT3

>  <Form> (1,228)
free base

>  <CAS> (1,228)
1429881-91-3

>  <URL> (1,228)
http://www.selleckchem.com/products/unc2025.html

$$$$

csChFnd80/10202016042D

152158  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,229)
1229

>  <Formula> (1,229)
C97H144FN33O19S2

>  <MolWeight> (1,229)
2159.5193632

>  <Cat> (1,229)
S9665

>  <Name> (1,229)
Motixafortide (BL-8040)

>  <Target> (1,229)
CXCR

>  <Form> (1,229)
free base

>  <CAS> (1,229)
664334-36-5

>  <URL> (1,229)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,230)
1230

>  <Formula> (1,230)
C21H25N5O2

>  <MolWeight> (1,230)
379.4555

>  <Cat> (1,230)
S9694

>  <Name> (1,230)
MLi-2

>  <Target> (1,230)
Others

>  <Form> (1,230)
free base

>  <CAS> (1,230)
1627091-47-7

>  <URL> (1,230)
http://www.selleckchem.com/products/mli-2.html

$$$$
AY-20590
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,231)
1231

>  <Formula> (1,231)
C16H10N2O2

>  <MolWeight> (1,231)
262.2628

>  <Cat> (1,231)
P3252

>  <Name> (1,231)
AY-20590

>  <Synonyms> (1,231)
N/A

>  <Target> (1,231)
Mcl-1,Anti-infection,PDGFR

>  <Form> (1,231)
free base

>  <CAS> (1,231)
57490-73-0

>  <URL> (1,231)
N/A

$$$$
WAY-313218
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,232)
1232

>  <Formula> (1,232)
C19H20FNO

>  <MolWeight> (1,232)
297.3666032

>  <Cat> (1,232)
P3321

>  <Name> (1,232)
WAY-313218

>  <Synonyms> (1,232)
N/A

>  <Target> (1,232)
11¦Â-HSD1 

>  <Form> (1,232)
free base

>  <CAS> (1,232)
260428-69-1

>  <URL> (1,232)
N/A

$$$$
WAY-313013
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,233)
1233

>  <Formula> (1,233)
C12H14BrNO2

>  <MolWeight> (1,233)
284.14906

>  <Cat> (1,233)
P3319

>  <Name> (1,233)
WAY-313013

>  <Synonyms> (1,233)
N/A

>  <Target> (1,233)
p38,histamine-3 (H3) receptor

>  <Form> (1,233)
free base

>  <CAS> (1,233)
326898-76-4

>  <URL> (1,233)
N/A

$$$$
GI-560708
csChFnd80/10202016042D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,234)
1234

>  <Formula> (1,234)
C20H18N4O2

>  <MolWeight> (1,234)
346.38252

>  <Cat> (1,234)
P3258

>  <Name> (1,234)
GI-560708

>  <Synonyms> (1,234)
N/A

>  <Target> (1,234)
BCR-ABL 

>  <Form> (1,234)
free base

>  <CAS> (1,234)
2362-25-6

>  <URL> (1,234)
N/A

$$$$
WAY-345438
csChFnd80/10202016042D

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  5  3  1  0  0  0  0
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 12  8  2  0  0  0  0
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 15  7  1  0  0  0  0
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 17  5  1  0  0  0  0
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 25  6  1  0  0  0  0
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 27 26  1  0  0  0  0
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 30 27  1  0  0  0  0
 18 19  2  0  0  0  0
  4  6  1  0  0  0  0
 29 25  2  0  0  0  0
 14 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,235)
1235

>  <Formula> (1,235)
C24H19N3O2S

>  <MolWeight> (1,235)
413.49156

>  <Cat> (1,235)
P3390

>  <Name> (1,235)
WAY-345438

>  <Synonyms> (1,235)
N/A

>  <Target> (1,235)
Casein kinase 1¦Ä

>  <Form> (1,235)
free base

>  <CAS> (1,235)
571174-12-4

>  <URL> (1,235)
N/A

$$$$
WAY-311066
csChFnd80/10202016042D

 27 29  0  0  0  0  0  0  0  0999 V2000
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   -0.6276   -2.8897    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
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
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 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 21 25  2  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
 15 20  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,236)
1236

>  <Formula> (1,236)
C21H17N3O3

>  <MolWeight> (1,236)
359.37798

>  <Cat> (1,236)
P3314

>  <Name> (1,236)
WAY-311066

>  <Synonyms> (1,236)
N/A

>  <Target> (1,236)
Casein kinase 1¦Ä

>  <Form> (1,236)
free base

>  <CAS> (1,236)
332074-85-8

>  <URL> (1,236)
N/A

$$$$
WAY-312567
csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.5101    0.2860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3688    0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7481   -1.2347    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  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  5  7  1  0  0  0  0
 12 16  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,237)
1237

>  <Formula> (1,237)
C16H20N2O2S

>  <MolWeight> (1,237)
304.4072

>  <Cat> (1,237)
P3317

>  <Name> (1,237)
WAY-312567

>  <Synonyms> (1,237)
N/A

>  <Target> (1,237)
Anti-infection

>  <Form> (1,237)
free base

>  <CAS> (1,237)
330955-59-4

>  <URL> (1,237)
N/A

$$$$
WAY-312157
csChFnd80/10202016042D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
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  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,238)
1238

>  <Formula> (1,238)
C14H18N2O2S

>  <MolWeight> (1,238)
278.36992

>  <Cat> (1,238)
P3316

>  <Name> (1,238)
WAY-312157

>  <Synonyms> (1,238)
N/A

>  <Target> (1,238)
ATP-utilizing enzyme

>  <Form> (1,238)
free base

>  <CAS> (1,238)
354544-70-0

>  <URL> (1,238)
N/A

$$$$
WAY-114228
csChFnd80/10202016042D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2833    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5841    2.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5841    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  3  5  1  0  0  0  0
 13 14  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,239)
1239

>  <Formula> (1,239)
C21H23NO

>  <MolWeight> (1,239)
305.41342

>  <Cat> (1,239)
P3264

>  <Name> (1,239)
WAY-114228

>  <Synonyms> (1,239)
N/A

>  <Target> (1,239)
MEK1

>  <Form> (1,239)
free base

>  <CAS> (1,239)
333325-96-5

>  <URL> (1,239)
N/A

$$$$
WAY-239320
csChFnd80/10202016042D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.0556    2.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
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>  <Mol_ID> (1,240)
1240

>  <Formula> (1,240)
C22H21N3O4

>  <MolWeight> (1,240)
391.41984

>  <Cat> (1,240)
P3268

>  <Name> (1,240)
WAY-239320

>  <Synonyms> (1,240)
N/A

>  <Target> (1,240)
Chk1,Aurora kinase,Adenosine Kinase

>  <Form> (1,240)
free base

>  <CAS> (1,240)
378775-98-5

>  <URL> (1,240)
N/A

$$$$
WAY-248134
csChFnd80/10202016042D

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M  END
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1241

>  <Formula> (1,241)
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221.27884

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>  <Name> (1,241)
WAY-248134

>  <Synonyms> (1,241)
N/A

>  <Target> (1,241)
LIMK1£¬IKK¦Â

>  <Form> (1,241)
free base

>  <CAS> (1,241)
67795-42-0

>  <URL> (1,241)
N/A

$$$$
WAY-296817
csChFnd80/10202016042D

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>  <Mol_ID> (1,242)
1242

>  <Formula> (1,242)
C17H16N2O3S

>  <MolWeight> (1,242)
328.38554

>  <Cat> (1,242)
P3296

>  <Name> (1,242)
WAY-296817

>  <Synonyms> (1,242)
N/A

>  <Target> (1,242)
casein kinase 1

>  <Form> (1,242)
free base

>  <CAS> (1,242)
349438-74-0

>  <URL> (1,242)
N/A

$$$$
WAY-296818
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,243)
1243

>  <Formula> (1,243)
C17H16N2O2S

>  <MolWeight> (1,243)
312.38614

>  <Cat> (1,243)
P3297

>  <Name> (1,243)
WAY-296818

>  <Synonyms> (1,243)
N/A

>  <Target> (1,243)
casein kinase 1

>  <Form> (1,243)
free base

>  <CAS> (1,243)
349438-77-3

>  <URL> (1,243)
N/A

$$$$
WAY-635764
csChFnd80/10202016042D

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>  <Mol_ID> (1,244)
1244

>  <Formula> (1,244)
C23H31N3O5

>  <MolWeight> (1,244)
429.50934

>  <Cat> (1,244)
P3487

>  <Name> (1,244)
WAY-635764

>  <Synonyms> (1,244)
N/A

>  <Target> (1,244)
Aurora kinase A

>  <Form> (1,244)
free base

>  <CAS> (1,244)
790267-88-8

>  <URL> (1,244)
N/A

$$$$
WAY-271146
csChFnd80/10202016042D

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VEGFR

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free base

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683235-33-8

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N/A

$$$$
WAY-271147
csChFnd80/10202016042D

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WAY-271147

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VEGFR

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free base

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683235-34-9

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N/A

$$$$
WAY-600632
csChFnd80/10202016042D

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WAY-600632

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N/A

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Casein kinase 1¦Ä

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free base

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438018-70-3

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N/A

$$$$
WAY-601258
csChFnd80/10202016042D

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P3428

>  <Name> (1,248)
WAY-601258

>  <Synonyms> (1,248)
N/A

>  <Target> (1,248)
Anti-infection

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free base

>  <CAS> (1,248)
496023-52-0

>  <URL> (1,248)
N/A

$$$$
WAY-601323
csChFnd80/10202016042D

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1249

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WAY-601323

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N/A

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CDK9 

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free base

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324778-48-5

>  <URL> (1,249)
N/A

$$$$
WAY-600704-A
csChFnd80/10202016042D

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1250

>  <Formula> (1,250)
C17H22N2O

>  <MolWeight> (1,250)
270.36938

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P3424

>  <Name> (1,250)
WAY-600704

>  <Synonyms> (1,250)
N/A

>  <Target> (1,250)
ethanolamine kinase

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free base

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301330-94-9

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N/A

$$$$
WAY-600868
csChFnd80/10202016042D

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    4.6211    1.2730    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
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  5  7  1  0  0  0  0
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 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,251)
1251

>  <Formula> (1,251)
C13H9FN2S

>  <MolWeight> (1,251)
244.2873632

>  <Cat> (1,251)
P3425

>  <Name> (1,251)
WAY-600868

>  <Synonyms> (1,251)
N/A

>  <Target> (1,251)
FGFR3

>  <Form> (1,251)
free base

>  <CAS> (1,251)
348-45-8

>  <URL> (1,251)
N/A

$$$$
CL-104773
csChFnd80/10202016042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  5  9  2  0  0  0  0
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 13 15  1  0  0  0  0
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 18 20  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,252)
1481

>  <Formula> (1,252)
C17H14N2O

>  <MolWeight> (1,252)
262.30586

>  <Cat> (1,252)
P3253

>  <Name> (1,252)
CL-104773

>  <Synonyms> (1,252)
N/A

>  <Target> (1,252)
TLR, JAK2, fatty acid amide hydrolase

>  <Form> (1,252)
free base

>  <CAS> (1,252)
802980-92-3

>  <URL> (1,252)
N/A

$$$$
WAY-269040
csChFnd80/10202016042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
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 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
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 20 15  1  0  0  0  0
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 23 17  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
  2  3  1  0  0  0  0
  9  7  1  0  0  0  0
 24 19  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,253)
1482

>  <Formula> (1,253)
C20H23N3OS

>  <MolWeight> (1,253)
353.48112

>  <Cat> (1,253)
P3271

>  <Name> (1,253)
WAY-269040

>  <Synonyms> (1,253)
N/A

>  <Target> (1,253)
Anti-infection

>  <Form> (1,253)
free base

>  <CAS> (1,253)
846065-09-6

>  <URL> (1,253)
N/A

$$$$
WAY-339696
csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
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 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
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 21 16  2  0  0  0  0
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  7  6  2  0  0  0  0
 22 21  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,254)
1483

>  <Formula> (1,254)
C16H11BrN2O3

>  <MolWeight> (1,254)
359.17414

>  <Cat> (1,254)
P3388

>  <Name> (1,254)
WAY-339696

>  <Synonyms> (1,254)
N/A

>  <Target> (1,254)
 EGFR-T790M/L858R

>  <Form> (1,254)
free base

>  <CAS> (1,254)
333419-97-9

>  <URL> (1,254)
N/A

$$$$
WAY-349290
csChFnd80/10202016042D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
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 11 14  1  0  0  0  0
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 13 17  1  0  0  0  0
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 10 13  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,255)
1484

>  <Formula> (1,255)
C12H7ClN2OS

>  <MolWeight> (1,255)
262.71478

>  <Cat> (1,255)
P3396

>  <Name> (1,255)
WAY-349290

>  <Synonyms> (1,255)
N/A

>  <Target> (1,255)
Pim,MCH receptor

>  <Form> (1,255)
free base

>  <CAS> (1,255)
215928-66-8

>  <URL> (1,255)
N/A

$$$$
WAY-613473
csChFnd80/10202016042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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HIV,JAK-2,PI3K

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free base

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301357-74-4

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N/A

$$$$
WAY-613991
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Casein kinase 1d

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free base

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565167-37-5

>  <URL> (1,257)
N/A

$$$$
WAY-630998
csChFnd80/10202016042D

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WAY-630998

>  <Synonyms> (1,258)
N/A

>  <Target> (1,258)
p38a

>  <Form> (1,258)
free base

>  <CAS> (1,258)
251106-30-6

>  <URL> (1,258)
N/A

$$$$
WAY-631127
csChFnd80/10202016042D

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WAY-631127

>  <Synonyms> (1,259)
N/A

>  <Target> (1,259)
Casein kinase 1¦Ä

>  <Form> (1,259)
free base

>  <CAS> (1,259)
756849-12-4

>  <URL> (1,259)
N/A

$$$$
WAY-631545
csChFnd80/10202016042D

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>  <Mol_ID> (1,260)
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>  <Formula> (1,260)
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>  <MolWeight> (1,260)
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>  <Cat> (1,260)
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>  <Name> (1,260)
WAY-631545

>  <Synonyms> (1,260)
N/A

>  <Target> (1,260)
others

>  <Form> (1,260)
free base

>  <CAS> (1,260)
681260-56-0

>  <URL> (1,260)
N/A

$$$$
WAY-632021
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,261)
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>  <Formula> (1,261)
C13H10ClN3S

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WAY-632021

>  <Synonyms> (1,261)
N/A

>  <Target> (1,261)
TIE-2,Raf,phosphodiesterase V

>  <Form> (1,261)
free base

>  <CAS> (1,261)
742094-64-0

>  <URL> (1,261)
N/A

$$$$
WAY-632323
csChFnd80/10202016042D

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>  <Mol_ID> (1,262)
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>  <Formula> (1,262)
C18H15N5S2

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P3475

>  <Name> (1,262)
WAY-632323

>  <Synonyms> (1,262)
N/A

>  <Target> (1,262)
Casein kinase 1¦Ä

>  <Form> (1,262)
free base

>  <CAS> (1,262)
782457-22-1

>  <URL> (1,262)
N/A

$$$$
WAY-650313
csChFnd80/10202016042D

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>  <Mol_ID> (1,263)
1492

>  <Formula> (1,263)
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>  <MolWeight> (1,263)
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>  <Cat> (1,263)
P3511

>  <Name> (1,263)
WAY-650313

>  <Synonyms> (1,263)
N/A

>  <Target> (1,263)
Casein kinase 1¦Ä

>  <Form> (1,263)
free base

>  <CAS> (1,263)
847772-08-1

>  <URL> (1,263)
N/A

$$$$
WAY-650886
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,264)
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>  <Formula> (1,264)
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>  <MolWeight> (1,264)
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>  <Cat> (1,264)
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>  <Name> (1,264)
WAY-650886

>  <Synonyms> (1,264)
N/A

>  <Target> (1,264)
Casein kinase 1¦Ä

>  <Form> (1,264)
free base

>  <CAS> (1,264)
848066-61-5

>  <URL> (1,264)
N/A

$$$$
WAY-651445
csChFnd80/10202016042D

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>  <Mol_ID> (1,265)
1494

>  <Formula> (1,265)
C18H13N3O2S

>  <MolWeight> (1,265)
335.37972

>  <Cat> (1,265)
P3513

>  <Name> (1,265)
WAY-651445

>  <Synonyms> (1,265)
N/A

>  <Target> (1,265)
LIMK1£¬IkB

>  <Form> (1,265)
free base

>  <CAS> (1,265)
848289-47-4

>  <URL> (1,265)
N/A

$$$$
GI-555736
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,266)
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>  <Formula> (1,266)
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>  <MolWeight> (1,266)
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>  <Cat> (1,266)
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>  <Name> (1,266)
GI-555736

>  <Synonyms> (1,266)
N/A

>  <Target> (1,266)
PDGFR

>  <Form> (1,266)
free base

>  <CAS> (1,266)
848342-16-5

>  <URL> (1,266)
N/A

$$$$
WAY-270318
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,267)
1496

>  <Formula> (1,267)
C14H14N4OS

>  <MolWeight> (1,267)
286.35216

>  <Cat> (1,267)
P3272

>  <Name> (1,267)
WAY-270318

>  <Synonyms> (1,267)
N/A

>  <Target> (1,267)
protein kinase

>  <Form> (1,267)
free base

>  <CAS> (1,267)
721964-48-3

>  <URL> (1,267)
N/A

$$$$
WAY-270329
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,268)
1497

>  <Formula> (1,268)
C21H18FN5O2S

>  <MolWeight> (1,268)
423.4633232

>  <Cat> (1,268)
P3273

>  <Name> (1,268)
WAY-270329

>  <Synonyms> (1,268)
N/A

>  <Target> (1,268)
protein kinase

>  <Form> (1,268)
free base

>  <CAS> (1,268)
721964-51-8

>  <URL> (1,268)
N/A

$$$$
WAY-270382
csChFnd80/10202016042D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,269)
1498

>  <Formula> (1,269)
C16H10N2O3S2

>  <MolWeight> (1,269)
342.3922

>  <Cat> (1,269)
P3274

>  <Name> (1,269)
WAY-270382

>  <Synonyms> (1,269)
N/A

>  <Target> (1,269)
Metallo-b-lactamase,ASK1

>  <Form> (1,269)
free base

>  <CAS> (1,269)
1427537-93-6

>  <URL> (1,269)
N/A

$$$$
WAY-270444
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,270)
1499

>  <Formula> (1,270)
C17H16N2O3

>  <MolWeight> (1,270)
296.32054

>  <Cat> (1,270)
P3275

>  <Name> (1,270)
WAY-270444

>  <Synonyms> (1,270)
N/A

>  <Target> (1,270)
Hsp90,PDK4,PPAR

>  <Form> (1,270)
free base

>  <CAS> (1,270)
394237-61-7

>  <URL> (1,270)
N/A

$$$$
WAY-270599
csChFnd80/10202016042D

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free base

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397281-20-8

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N/A

$$$$
WAY-270947
csChFnd80/10202016042D

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N/A

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free base

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1198579-20-2

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N/A

$$$$
WAY-270966
csChFnd80/10202016042D

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>  <Synonyms> (1,273)
N/A

>  <Target> (1,273)
p38

>  <Form> (1,273)
free base

>  <CAS> (1,273)
421578-44-1

>  <URL> (1,273)
N/A

$$$$
WAY-270968
csChFnd80/10202016042D

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>  <Formula> (1,274)
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>  <MolWeight> (1,274)
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>  <Cat> (1,274)
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>  <Name> (1,274)
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>  <Synonyms> (1,274)
N/A

>  <Target> (1,274)
p38

>  <Form> (1,274)
free base

>  <CAS> (1,274)
421578-46-3

>  <URL> (1,274)
N/A

$$$$
WAY-320509
csChFnd80/10202016042D

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1504

>  <Formula> (1,275)
C18H17N3O2S

>  <MolWeight> (1,275)
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>  <Cat> (1,275)
P3327

>  <Name> (1,275)
WAY-320509

>  <Synonyms> (1,275)
N/A

>  <Target> (1,275)
Anti-infection,CDK8

>  <Form> (1,275)
free base

>  <CAS> (1,275)
314035-54-6

>  <URL> (1,275)
N/A

$$$$
WAY-320049
csChFnd80/10202016042D

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   -4.7042    0.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  3  8  1  0  0  0  0
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  6 10  2  0  0  0  0
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  7 12  1  0  0  0  0
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 12 17  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,276)
1505

>  <Formula> (1,276)
C13H17NO3S

>  <MolWeight> (1,276)
267.34398

>  <Cat> (1,276)
P3323

>  <Name> (1,276)
WAY-320049

>  <Synonyms> (1,276)
N/A

>  <Target> (1,276)
others

>  <Form> (1,276)
free base

>  <CAS> (1,276)
298193-11-0

>  <URL> (1,276)
N/A

$$$$
WAY-320080
csChFnd80/10202016042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.5138   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
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 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6  9  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,277)
1506

>  <Formula> (1,277)
C14H13N3O2S

>  <MolWeight> (1,277)
287.33692

>  <Cat> (1,277)
P3324

>  <Name> (1,277)
WAY-320080

>  <Synonyms> (1,277)
N/A

>  <Target> (1,277)
glucokinase,heat shock protein 90

>  <Form> (1,277)
free base

>  <CAS> (1,277)
349549-38-8

>  <URL> (1,277)
N/A

$$$$
WAY-320081
csChFnd80/10202016042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
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  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,278)
1507

>  <Formula> (1,278)
C14H13N3O2S

>  <MolWeight> (1,278)
287.33692

>  <Cat> (1,278)
P3325

>  <Name> (1,278)
WAY-320081

>  <Synonyms> (1,278)
N/A

>  <Target> (1,278)
glucokinase,heat shock protein 90

>  <Form> (1,278)
free base

>  <CAS> (1,278)
66780-67-4

>  <URL> (1,278)
N/A

$$$$
WAY-602219
csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9125    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14 12  2  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
  6  8  2  0  0  0  0
 11  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,279)
1508

>  <Formula> (1,279)
C14H12N2O3S2

>  <MolWeight> (1,279)
320.38668

>  <Cat> (1,279)
P3430

>  <Name> (1,279)
WAY-602219

>  <Synonyms> (1,279)
N/A

>  <Target> (1,279)
Trypanosoma brucei hexokinase 

>  <Form> (1,279)
free base

>  <CAS> (1,279)
378197-09-2

>  <URL> (1,279)
N/A

$$$$
WAY-602746
csChFnd80/10202016042D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0292   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  2  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  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> (1,280)
1509

>  <Formula> (1,280)
C20H16N4O

>  <MolWeight> (1,280)
328.36724

>  <Cat> (1,280)
P3431

>  <Name> (1,280)
WAY-602746

>  <Synonyms> (1,280)
N/A

>  <Target> (1,280)
ROS 

>  <Form> (1,280)
free base

>  <CAS> (1,280)
370096-57-4

>  <URL> (1,280)
N/A

$$$$
WAY-603264
csChFnd80/10202016042D

 12 13  0  0  0  0  0  0  0  0999 V2000
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   -1.9701    1.4549    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 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> (1,281)
1510

>  <Formula> (1,281)
C8H12N2OS

>  <MolWeight> (1,281)
184.25868

>  <Cat> (1,281)
P3432

>  <Name> (1,281)
WAY-603264

>  <Synonyms> (1,281)
N/A

>  <Target> (1,281)
adenosine kinase

>  <Form> (1,281)
free base

>  <CAS> (1,281)
58350-40-6

>  <URL> (1,281)
N/A

$$$$
WAY-603359
csChFnd80/10202016042D

 16 17  0  0  0  0  0  0  0  0999 V2000
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WAY-603359

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N/A

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p38

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free base

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329268-90-8

>  <URL> (1,282)
N/A

$$$$
WAY-634931
csChFnd80/10202016042D

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>  <Mol_ID> (1,283)
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WAY-634931

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N/A

>  <Target> (1,283)
GSK3,ROR gamma,CETP,metabotropic glutamate r

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free base

>  <CAS> (1,283)
82683-51-0

>  <URL> (1,283)
N/A

$$$$
WAY-634964
csChFnd80/10202016042D

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1513

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C9H7N3O2

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P3483

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WAY-634964

>  <Synonyms> (1,284)
N/A

>  <Target> (1,284)
tyrosine kinase

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free base

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157842-34-7

>  <URL> (1,284)
N/A

$$$$
WAY-634704
csChFnd80/10202016042D

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1514

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C13H13ClN2O5S

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WAY-634704

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N/A

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Aurora kinase A

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free base

>  <CAS> (1,285)
781619-26-9

>  <URL> (1,285)
N/A

$$$$
WAY-635109
csChFnd80/10202016042D

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>  <Mol_ID> (1,286)
1515

>  <Formula> (1,286)
C13H9N3O2S

>  <MolWeight> (1,286)
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P3484

>  <Name> (1,286)
WAY-635109

>  <Synonyms> (1,286)
N/A

>  <Target> (1,286)
B-Raf

>  <Form> (1,286)
free base

>  <CAS> (1,286)
781622-25-1

>  <URL> (1,286)
N/A

$$$$
WAY-635114
csChFnd80/10202016042D

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>  <Formula> (1,287)
C13H11N3OS

>  <MolWeight> (1,287)
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WAY-635114

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N/A

>  <Target> (1,287)
B-Raf

>  <Form> (1,287)
free base

>  <CAS> (1,287)
781622-52-4

>  <URL> (1,287)
N/A

$$$$
WAY-635319
csChFnd80/10202016042D

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N/A

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CL-243214
csChFnd80/10202016042D

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free base

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333785-55-0

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N/A

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WAY-312187
csChFnd80/10202016042D

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free base

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1609385-99-0

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N/A

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WAY-230563
csChFnd80/10202016042D

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serine/threonine kinase

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free base

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93326-70-6

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N/A

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WAY-235142
csChFnd80/10202016042D

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MtSk

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free base

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380550-28-7

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N/A

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WAY-311747
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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
csChFnd80/10202016042D

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EGFR

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free base

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91769-08-3

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N/A

$$$$
WAY-311753-A
csChFnd80/10202016042D

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WAY-311753-A

>  <Synonyms> (1,296)
N/A

>  <Target> (1,296)
tyrosine kinase

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free base

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345615-74-9

>  <URL> (1,296)
N/A

$$$$
WAY-310586-A
csChFnd80/10202016042D

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1526

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WAY-310586-A

>  <Synonyms> (1,297)
N/A

>  <Target> (1,297)
TAOK2

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free base

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315705-95-4

>  <URL> (1,297)
N/A

$$$$
WAY-115880
csChFnd80/10202016042D

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1527

>  <Formula> (1,298)
C16H22N2O2S

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WAY-115880

>  <Synonyms> (1,298)
N/A

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FLT3

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free base

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142995-02-6

>  <URL> (1,298)
N/A

$$$$
WAY-297848
csChFnd80/10202016042D

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>  <Formula> (1,299)
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WAY-297848

>  <Synonyms> (1,299)
N/A

>  <Target> (1,299)
glucokinase

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free base

>  <CAS> (1,299)
404360-27-6

>  <URL> (1,299)
N/A

$$$$
GI-568769
csChFnd80/10202016042D

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C13H11ClN4

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258.70624

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P3689

>  <Name> (1,300)
GI-568769

>  <Synonyms> (1,300)
N/A

>  <Target> (1,300)
p90 Ribosomal S6 Protein Kinase 2

>  <Form> (1,300)
free base

>  <CAS> (1,300)
62001-32-5

>  <URL> (1,300)
N/A

$$$$
WAY-298129
csChFnd80/10202016042D

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M  END
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>  <Formula> (1,301)
C13H15NO2S

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249.3287

>  <Cat> (1,301)
P3688

>  <Name> (1,301)
WAY-298129

>  <Synonyms> (1,301)
N/A

>  <Target> (1,301)
CLK1,DYRK,CLK,CK1,RB,kinase,ENT1,CK1,DYRK1A,

>  <Form> (1,301)
free base

>  <CAS> (1,301)
719277-26-6

>  <URL> (1,301)
N/A

$$$$
WAY-299338
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,302)
1531

>  <Formula> (1,302)
C17H16N2O3S

>  <MolWeight> (1,302)
328.38554

>  <Cat> (1,302)
P3775

>  <Name> (1,302)
WAY-299338

>  <Synonyms> (1,302)
N/A

>  <Target> (1,302)
PDK1

>  <Form> (1,302)
free base

>  <CAS> (1,302)
1005044-23-4

>  <URL> (1,302)
N/A

$$$$
WAY-322454
csChFnd80/10202016042D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,303)
1532

>  <Formula> (1,303)
C17H20N4O2

>  <MolWeight> (1,303)
312.3663

>  <Cat> (1,303)
P3753

>  <Name> (1,303)
WAY-322454

>  <Synonyms> (1,303)
N/A

>  <Target> (1,303)
GRK6

>  <Form> (1,303)
free base

>  <CAS> (1,303)
1008244-02-7

>  <URL> (1,303)
N/A

$$$$
WAY-119064
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,304)
1533

>  <Formula> (1,304)
C13H18N2O3S

>  <MolWeight> (1,304)
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>  <Cat> (1,304)
P3728

>  <Name> (1,304)
WAY-119064

>  <Synonyms> (1,304)
N/A

>  <Target> (1,304)
INK4C

>  <Form> (1,304)
free base

>  <CAS> (1,304)
1198098-03-1

>  <URL> (1,304)
N/A

$$$$
WAY-215718
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,305)
1534

>  <Formula> (1,305)
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>  <Cat> (1,305)
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>  <Name> (1,305)
WAY-215718

>  <Synonyms> (1,305)
N/A

>  <Target> (1,305)
5-HT Receptor,pp6othersc-Src tyrosine kinase

>  <Form> (1,305)
free base

>  <CAS> (1,305)
128175-06-4

>  <URL> (1,305)
N/A

$$$$
WAY-300046
csChFnd80/10202016042D

 17 18  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,306)
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C12H13N3O2

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>  <Name> (1,306)
WAY-300046

>  <Synonyms> (1,306)
N/A

>  <Target> (1,306)
LtaS,herpes simplex viruses thymidine kinase

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free base

>  <CAS> (1,306)
41648-10-6

>  <URL> (1,306)
N/A

$$$$
WAY-300063
csChFnd80/10202016042D

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1536

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C16H13N3O3

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295.29272

>  <Cat> (1,307)
P3727

>  <Name> (1,307)
WAY-300063

>  <Synonyms> (1,307)
N/A

>  <Target> (1,307)
Tropomyosin-Related Kinase A,ATP-binding cas

>  <Form> (1,307)
free base

>  <CAS> (1,307)
296888-45-4

>  <URL> (1,307)
N/A

$$$$
WAY-299819
csChFnd80/10202016042D

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>  <Mol_ID> (1,308)
1537

>  <Formula> (1,308)
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>  <Cat> (1,308)
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>  <Name> (1,308)
WAY-299819

>  <Synonyms> (1,308)
N/A

>  <Target> (1,308)
p38 MAPK,c-Jun-N-Terminal Kinase

>  <Form> (1,308)
free base

>  <CAS> (1,308)
346663-56-7

>  <URL> (1,308)
N/A

$$$$
WAY-300700
csChFnd80/10202016042D

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1538

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C19H22N2O2

>  <MolWeight> (1,309)
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>  <Cat> (1,309)
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>  <Name> (1,309)
WAY-300700

>  <Synonyms> (1,309)
N/A

>  <Target> (1,309)
HIV-1

>  <Form> (1,309)
free base

>  <CAS> (1,309)
428853-17-2

>  <URL> (1,309)
N/A

$$$$
WAY-300744
csChFnd80/10202016042D

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>  <Mol_ID> (1,310)
1539

>  <Formula> (1,310)
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>  <MolWeight> (1,310)
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>  <Cat> (1,310)
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>  <Name> (1,310)
WAY-300744

>  <Synonyms> (1,310)
N/A

>  <Target> (1,310)
kinase

>  <Form> (1,310)
free base

>  <CAS> (1,310)
314284-06-5

>  <URL> (1,310)
N/A

$$$$
WAY-301205
csChFnd80/10202016042D

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  5  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,311)
1540

>  <Formula> (1,311)
C16H20N2O2S2

>  <MolWeight> (1,311)
336.4722

>  <Cat> (1,311)
P3772

>  <Name> (1,311)
WAY-301205

>  <Synonyms> (1,311)
N/A

>  <Target> (1,311)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,311)
free base

>  <CAS> (1,311)
330181-93-6

>  <URL> (1,311)
N/A

$$$$
WAY-301300
csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,312)
1541

>  <Formula> (1,312)
C16H17NO4

>  <MolWeight> (1,312)
287.31048

>  <Cat> (1,312)
P3726

>  <Name> (1,312)
WAY-301300

>  <Synonyms> (1,312)
N/A

>  <Target> (1,312)
Rho kinase,bacterial DNA adenine methyltrans

>  <Form> (1,312)
free base

>  <CAS> (1,312)
935279-95-1

>  <URL> (1,312)
N/A

$$$$
WAY-301398
csChFnd80/10202016042D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  8 10  2  0  0  0  0
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M  END
>  <Mol_ID> (1,313)
1542

>  <Formula> (1,313)
C16H13FO4

>  <MolWeight> (1,313)
288.2704232

>  <Cat> (1,313)
P3750

>  <Name> (1,313)
WAY-301398

>  <Synonyms> (1,313)
N/A

>  <Target> (1,313)
arylamine Nacetyltransferase,Protein Kinase 

>  <Form> (1,313)
free base

>  <CAS> (1,313)
312607-68-4

>  <URL> (1,313)
N/A

$$$$
WAY-301464
csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 21 22  1  0  0  0  0
  9 10  2  0  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,314)
1543

>  <Formula> (1,314)
C18H13N3O

>  <MolWeight> (1,314)
287.31532

>  <Cat> (1,314)
P3749

>  <Name> (1,314)
WAY-301464

>  <Synonyms> (1,314)
N/A

>  <Target> (1,314)
Pim-1

>  <Form> (1,314)
free base

>  <CAS> (1,314)
79492-49-2

>  <URL> (1,314)
N/A

$$$$
WAY-301503
csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,315)
1544

>  <Formula> (1,315)
C14H9N3O4S

>  <MolWeight> (1,315)
315.30396

>  <Cat> (1,315)
P3748

>  <Name> (1,315)
WAY-301503

>  <Synonyms> (1,315)
N/A

>  <Target> (1,315)
CDK2

>  <Form> (1,315)
free base

>  <CAS> (1,315)
313530-30-2

>  <URL> (1,315)
N/A

$$$$
WAY-118985
csChFnd80/10202016042D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,316)
1545

>  <Formula> (1,316)
C13H12N4S2

>  <MolWeight> (1,316)
288.39118

>  <Cat> (1,316)
P3723

>  <Name> (1,316)
WAY-118985

>  <Synonyms> (1,316)
N/A

>  <Target> (1,316)
TAOK2

>  <Form> (1,316)
free base

>  <CAS> (1,316)
315704-83-7

>  <URL> (1,316)
N/A

$$$$
WAY-302159
csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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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
csChFnd80/10202016042D

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1552

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WAY-305025

>  <Synonyms> (1,323)
N/A

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Mnk

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free base

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457911-10-3

>  <URL> (1,323)
N/A

$$$$
WAY-383487
csChFnd80/10202016042D

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1553

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WAY-383487

>  <Synonyms> (1,324)
N/A

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CDK

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free base

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748146-89-6

>  <URL> (1,324)
N/A

$$$$
WAY-232261
csChFnd80/10202016042D

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1554

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C14H20N4O3

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P3717

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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

>  <URL> (1,325)
N/A

$$$$
WAY-340245
csChFnd80/10202016042D

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1555

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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

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N/A

$$$$
WAY-340935
csChFnd80/10202016042D

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1556

>  <Formula> (1,327)
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P3744

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WAY-340935

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N/A

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VEGFR2 kinase

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free base

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737818-56-3

>  <URL> (1,327)
N/A

$$$$
WAY-341085
csChFnd80/10202016042D

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M  END
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WAY-341085

>  <Synonyms> (1,328)
N/A

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Kinase

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free base

>  <CAS> (1,328)
383380-01-6

>  <URL> (1,328)
N/A

$$$$
WAY-346658
csChFnd80/10202016042D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,329)
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>  <Formula> (1,329)
C13H11ClN2O2S

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294.75664

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P3715

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WAY-346658

>  <Synonyms> (1,329)
N/A

>  <Target> (1,329)
c-Jun N-terminal kinase

>  <Form> (1,329)
free base

>  <CAS> (1,329)
381714-44-9

>  <URL> (1,329)
N/A

$$$$
WAY-350471
csChFnd80/10202016042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,330)
1559

>  <Formula> (1,330)
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>  <MolWeight> (1,330)
290.38392

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WAY-350471

>  <Synonyms> (1,330)
N/A

>  <Target> (1,330)
IRAK

>  <Form> (1,330)
free base

>  <CAS> (1,330)
785705-53-5

>  <URL> (1,330)
N/A

$$$$
WAY-352563
csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,331)
1560

>  <Formula> (1,331)
C18H14O4

>  <MolWeight> (1,331)
294.30136

>  <Cat> (1,331)
P3743

>  <Name> (1,331)
WAY-352563

>  <Synonyms> (1,331)
N/A

>  <Target> (1,331)
CDK

>  <Form> (1,331)
free base

>  <CAS> (1,331)
505051-04-7

>  <URL> (1,331)
N/A

$$$$
GI-505946
csChFnd80/10202016042D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,332)
1561

>  <Formula> (1,332)
C12H9Cl2N3O

>  <MolWeight> (1,332)
282.12536

>  <Cat> (1,332)
P3713

>  <Name> (1,332)
GI-505946

>  <Synonyms> (1,332)
N/A

>  <Target> (1,332)
p38

>  <Form> (1,332)
free base

>  <CAS> (1,332)
13142-47-7

>  <URL> (1,332)
N/A

$$$$
WAY-354896
csChFnd80/10202016042D

 23 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,333)
1562

>  <Formula> (1,333)
C18H16O5

>  <MolWeight> (1,333)
312.31664

>  <Cat> (1,333)
P3742

>  <Name> (1,333)
WAY-354896

>  <Synonyms> (1,333)
N/A

>  <Target> (1,333)
PKR,PERK

>  <Form> (1,333)
free base

>  <CAS> (1,333)
136498-37-8

>  <URL> (1,333)
N/A

$$$$
WAY-380496
csChFnd80/10202016042D

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DAPK

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free base

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304000-05-3

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N/A

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WAY-381332
csChFnd80/10202016042D

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CDK9 

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free base

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380163-63-3

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N/A

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WAY-332656
csChFnd80/10202016042D

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Protein kinase C epsilon signaling

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free base

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904458-98-6

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N/A

$$$$
WAY-601017
csChFnd80/10202016042D

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 PI3K

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free base

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300375-81-9

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N/A

$$$$
WAY-601035
csChFnd80/10202016042D

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 PI3K

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free base

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304645-61-2

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N/A

$$$$
WAY-614915
csChFnd80/10202016042D

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WAY-614915

>  <Synonyms> (1,339)
N/A

>  <Target> (1,339)
Casein kinase 1¦Ä

>  <Form> (1,339)
free base

>  <CAS> (1,339)
450394-66-8

>  <URL> (1,339)
N/A

$$$$
WAY-615029
csChFnd80/10202016042D

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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,340)
1255

>  <Formula> (1,340)
C14H15N3O4S

>  <MolWeight> (1,340)
321.3516

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P3453

>  <Name> (1,340)
WAY-615029

>  <Synonyms> (1,340)
N/A

>  <Target> (1,340)
Kinase

>  <Form> (1,340)
free base

>  <CAS> (1,340)
730945-59-2

>  <URL> (1,340)
N/A

$$$$
WAY-632613
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,341)
1256

>  <Formula> (1,341)
C15H14N2O3S

>  <MolWeight> (1,341)
302.34826

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P3476

>  <Name> (1,341)
WAY-632613

>  <Synonyms> (1,341)
N/A

>  <Target> (1,341)
p38

>  <Form> (1,341)
free base

>  <CAS> (1,341)
731816-85-6

>  <URL> (1,341)
N/A

$$$$
WAY-632896
csChFnd80/10202016042D

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>  <Mol_ID> (1,342)
1257

>  <Formula> (1,342)
C14H13N3OS

>  <MolWeight> (1,342)
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P3477

>  <Name> (1,342)
WAY-632896

>  <Synonyms> (1,342)
N/A

>  <Target> (1,342)
CDK9,GSK-3

>  <Form> (1,342)
free base

>  <CAS> (1,342)
784170-07-6

>  <URL> (1,342)
N/A

$$$$
WAY-632963-A
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,343)
1258

>  <Formula> (1,343)
C11H12ClN3O

>  <MolWeight> (1,343)
237.68548

>  <Cat> (1,343)
P3478

>  <Name> (1,343)
WAY-632963

>  <Synonyms> (1,343)
N/A

>  <Target> (1,343)
Aurora kinase A

>  <Form> (1,343)
free base

>  <CAS> (1,343)
900640-73-5

>  <URL> (1,343)
N/A

$$$$
WAY-633334
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,344)
1259

>  <Formula> (1,344)
C15H15N3O2S

>  <MolWeight> (1,344)
301.3635

>  <Cat> (1,344)
P3479

>  <Name> (1,344)
WAY-633334

>  <Synonyms> (1,344)
N/A

>  <Target> (1,344)
Casein kinase 1¦Ä

>  <Form> (1,344)
free base

>  <CAS> (1,344)
757224-44-5

>  <URL> (1,344)
N/A

$$$$
WAY-633877
csChFnd80/10202016042D

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 10  7  2  0  0  0  0
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M  END
>  <Mol_ID> (1,345)
1260

>  <Formula> (1,345)
C21H19N5O3

>  <MolWeight> (1,345)
389.40726

>  <Cat> (1,345)
P3480

>  <Name> (1,345)
WAY-633877

>  <Synonyms> (1,345)
N/A

>  <Target> (1,345)
Casein kinase 1¦Ä

>  <Form> (1,345)
free base

>  <CAS> (1,345)
782452-74-8

>  <URL> (1,345)
N/A

$$$$
WAY-652435
csChFnd80/10202016042D

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  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
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  7  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,346)
1261

>  <Formula> (1,346)
C9H15N3O

>  <MolWeight> (1,346)
181.2349

>  <Cat> (1,346)
P3514

>  <Name> (1,346)
WAY-652435

>  <Synonyms> (1,346)
N/A

>  <Target> (1,346)
P2Y12,tankyrase,Aurora Kinase

>  <Form> (1,346)
free base

>  <CAS> (1,346)
173850-51-6

>  <URL> (1,346)
N/A

$$$$
WAY-652509
csChFnd80/10202016042D

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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
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 11  7  1  0  0  0  0
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  3  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,347)
1262

>  <Formula> (1,347)
C15H12ClN3

>  <MolWeight> (1,347)
269.72888

>  <Cat> (1,347)
P3515

>  <Name> (1,347)
WAY-652509

>  <Synonyms> (1,347)
N/A

>  <Target> (1,347)
quinone reductase 2,Casein kinase 1¦Ä

>  <Form> (1,347)
free base

>  <CAS> (1,347)
854355-54-7

>  <URL> (1,347)
N/A

$$$$
WAY-652641
csChFnd80/10202016042D

 14 14  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
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 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
  3  4  2  0  0  0  0
M  END
>  <Mol_ID> (1,348)
1263

>  <Formula> (1,348)
C9H14N2O3

>  <MolWeight> (1,348)
198.21906

>  <Cat> (1,348)
P3516

>  <Name> (1,348)
WAY-652641

>  <Synonyms> (1,348)
N/A

>  <Target> (1,348)
CDK

>  <Form> (1,348)
free base

>  <CAS> (1,348)
852851-73-1

>  <URL> (1,348)
N/A

$$$$
WAY-652848
csChFnd80/10202016042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
 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
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M  END
>  <Mol_ID> (1,349)
1264

>  <Formula> (1,349)
C17H17F3N2O3

>  <MolWeight> (1,349)
354.3236896

>  <Cat> (1,349)
P3517

>  <Name> (1,349)
WAY-652848

>  <Synonyms> (1,349)
N/A

>  <Target> (1,349)
SRPK kinase 

>  <Form> (1,349)
free base

>  <CAS> (1,349)
848057-98-7

>  <URL> (1,349)
N/A

$$$$
WAY-653005
csChFnd80/10202016042D

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  5  2  2  0  0  0  0
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 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,350)
1265

>  <Formula> (1,350)
C11H15NO

>  <MolWeight> (1,350)
177.2429

>  <Cat> (1,350)
P3518

>  <Name> (1,350)
WAY-653005

>  <Synonyms> (1,350)
N/A

>  <Target> (1,350)
others

>  <Form> (1,350)
free base

>  <CAS> (1,350)
74190-66-2

>  <URL> (1,350)
N/A

$$$$
WAY-271413
csChFnd80/10202016042D

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N/A

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GSK-3¦Â

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free base

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536731-65-4

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N/A

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WAY-271999
csChFnd80/10202016042D

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N/A

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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

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WAY-272077
csChFnd80/10202016042D

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>  <Mol_ID> (1,353)
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N/A

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sphingosine kinase

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free base

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1415662-57-5

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N/A

$$$$
WAY-272130
csChFnd80/10202016042D

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N/A

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FGFR1

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free base

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442534-83-0

>  <URL> (1,354)
N/A

$$$$
WAY-272324
csChFnd80/10202016042D

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N/A

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 PI3K

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free base

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900515-01-7

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N/A

$$$$
WAY-272449
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,356)
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>  <Name> (1,356)
WAY-272449

>  <Synonyms> (1,356)
N/A

>  <Target> (1,356)
FGFR1

>  <Form> (1,356)
free base

>  <CAS> (1,356)
670266-26-9

>  <URL> (1,356)
N/A

$$$$
WAY-272589
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,357)
1272

>  <Formula> (1,357)
C16H15N3O2S2

>  <MolWeight> (1,357)
345.4392

>  <Cat> (1,357)
P3288

>  <Name> (1,357)
WAY-272589

>  <Synonyms> (1,357)
N/A

>  <Target> (1,357)
pin1

>  <Form> (1,357)
free base

>  <CAS> (1,357)
637325-53-2

>  <URL> (1,357)
N/A

$$$$
WAY-320008
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,358)
1273

>  <Formula> (1,358)
C20H16N4

>  <MolWeight> (1,358)
312.36784

>  <Cat> (1,358)
P3322

>  <Name> (1,358)
WAY-320008

>  <Synonyms> (1,358)
N/A

>  <Target> (1,358)
tropomyosin-related kinase a

>  <Form> (1,358)
free base

>  <CAS> (1,358)
128889-33-8

>  <URL> (1,358)
N/A

$$$$
WAY-320426
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,359)
1274

>  <Formula> (1,359)
C14H14ClN3O2

>  <MolWeight> (1,359)
291.73286

>  <Cat> (1,359)
P3326

>  <Name> (1,359)
WAY-320426

>  <Synonyms> (1,359)
N/A

>  <Target> (1,359)
Anti-infection

>  <Form> (1,359)
free base

>  <CAS> (1,359)
312601-47-1

>  <URL> (1,359)
N/A

$$$$
WAY-635767
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,360)
1275

>  <Formula> (1,360)
C12H12ClN3O

>  <MolWeight> (1,360)
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>  <Cat> (1,360)
P3488

>  <Name> (1,360)
WAY-635767

>  <Synonyms> (1,360)
N/A

>  <Target> (1,360)
Aurora kinase A

>  <Form> (1,360)
free base

>  <CAS> (1,360)
790232-33-6

>  <URL> (1,360)
N/A

$$$$
WAY-654447
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,361)
1276

>  <Formula> (1,361)
C16H14N4O2

>  <MolWeight> (1,361)
294.30796

>  <Cat> (1,361)
P3519

>  <Name> (1,361)
WAY-654447

>  <Synonyms> (1,361)
N/A

>  <Target> (1,361)
FLT3,Androgen Receptor

>  <Form> (1,361)
free base

>  <CAS> (1,361)
852304-07-5

>  <URL> (1,361)
N/A

$$$$
CL-16859
csChFnd80/10202016042D

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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
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  7 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,362)
1277

>  <Formula> (1,362)
C14H20N2O2

>  <MolWeight> (1,362)
248.3208

>  <Cat> (1,362)
P3254

>  <Name> (1,362)
CL-16859

>  <Synonyms> (1,362)
N/A

>  <Target> (1,362)
Anti-infection 

>  <Form> (1,362)
free base

>  <CAS> (1,362)
438025-86-6

>  <URL> (1,362)
N/A

$$$$
WAY-320706
csChFnd80/10202016042D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  3  2  2  0  0  0  0
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  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 21  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
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 17  7  1  0  0  0  0
 18 20  1  0  0  0  0
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  3  4  1  0  0  0  0
 18 14  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,363)
1278

>  <Formula> (1,363)
C13H11ClN6OS2

>  <MolWeight> (1,363)
366.84904

>  <Cat> (1,363)
P3328

>  <Name> (1,363)
WAY-320706

>  <Synonyms> (1,363)
N/A

>  <Target> (1,363)
Anti-infection, ATOH-1

>  <Form> (1,363)
free base

>  <CAS> (1,363)
370092-42-5

>  <URL> (1,363)
N/A

$$$$
WAY-320774
csChFnd80/10202016042D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11 14  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19 15  1  0  0  0  0
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  7  5  2  0  0  0  0
  6  9  2  0  0  0  0
 23 22  1  0  0  0  0
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M  END
>  <Mol_ID> (1,364)
1279

>  <Formula> (1,364)
C19H16N4O2S

>  <MolWeight> (1,364)
364.42094

>  <Cat> (1,364)
P3329

>  <Name> (1,364)
WAY-320774

>  <Synonyms> (1,364)
N/A

>  <Target> (1,364)
Kanamycin Resistance Enzyme Eis

>  <Form> (1,364)
free base

>  <CAS> (1,364)
425653-38-9

>  <URL> (1,364)
N/A

$$$$
WAY-320951
csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
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  6 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 15  2  0  0  0  0
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 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,365)
1280

>  <Formula> (1,365)
C14H11N3O4S

>  <MolWeight> (1,365)
317.31984

>  <Cat> (1,365)
P3330

>  <Name> (1,365)
WAY-320951

>  <Synonyms> (1,365)
N/A

>  <Target> (1,365)
Anti-infection

>  <Form> (1,365)
free base

>  <CAS> (1,365)
430444-03-4

>  <URL> (1,365)
N/A

$$$$
WAY-321002
csChFnd80/10202016042D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
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 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> (1,366)
1281

>  <Formula> (1,366)
C20H16N4

>  <MolWeight> (1,366)
312.36784

>  <Cat> (1,366)
P3331

>  <Name> (1,366)
WAY-321002

>  <Synonyms> (1,366)
N/A

>  <Target> (1,366)
EGFR,PDE-5,TGF-¦Â,p38-¦Á,

>  <Form> (1,366)
free base

>  <CAS> (1,366)
166039-38-9

>  <URL> (1,366)
N/A

$$$$
WAY-321364
csChFnd80/10202016042D

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  7  8  2  0  0  0  0
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 16 17  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,367)
1282

>  <Formula> (1,367)
C21H17N3O4

>  <MolWeight> (1,367)
375.37738

>  <Cat> (1,367)
P3332

>  <Name> (1,367)
WAY-321364

>  <Synonyms> (1,367)
N/A

>  <Target> (1,367)
casein kinase 2

>  <Form> (1,367)
free base

>  <CAS> (1,367)
385389-39-9

>  <URL> (1,367)
N/A

$$$$
WAY-321366
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,368)
1283

>  <Formula> (1,368)
C20H14ClN3O3

>  <MolWeight> (1,368)
379.79646

>  <Cat> (1,368)
P3333

>  <Name> (1,368)
WAY-321366

>  <Synonyms> (1,368)
N/A

>  <Target> (1,368)
tyrosine kinase

>  <Form> (1,368)
free base

>  <CAS> (1,368)
370854-75-4

>  <URL> (1,368)
N/A

$$$$
WAY-321582-A
csChFnd80/10202016042D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,369)
1284

>  <Formula> (1,369)
C13H11N3O

>  <MolWeight> (1,369)
225.24594

>  <Cat> (1,369)
P3334

>  <Name> (1,369)
WAY-321582-A

>  <Synonyms> (1,369)
N/A

>  <Target> (1,369)
casein kinase 2

>  <Form> (1,369)
free base

>  <CAS> (1,369)
34116-16-0

>  <URL> (1,369)
N/A

$$$$
WAY-321873
csChFnd80/10202016042D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,370)
1285

>  <Formula> (1,370)
C21H17N5O4S

>  <MolWeight> (1,370)
435.45578

>  <Cat> (1,370)
P3335

>  <Name> (1,370)
WAY-321873

>  <Synonyms> (1,370)
N/A

>  <Target> (1,370)
 GATA4-NKX2-5,AKT

>  <Form> (1,370)
free base

>  <CAS> (1,370)
547704-53-0

>  <URL> (1,370)
N/A

$$$$
WAY-321961
csChFnd80/10202016042D

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>  <Mol_ID> (1,371)
1286

>  <Formula> (1,371)
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>  <MolWeight> (1,371)
217.22064

>  <Cat> (1,371)
P3336

>  <Name> (1,371)
WAY-321961

>  <Synonyms> (1,371)
N/A

>  <Target> (1,371)
protein kinase D

>  <Form> (1,371)
free base

>  <CAS> (1,371)
370586-05-3

>  <URL> (1,371)
N/A

$$$$
WAY-322545
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,372)
1287

>  <Formula> (1,372)
C17H19ClN2O3

>  <MolWeight> (1,372)
334.79736

>  <Cat> (1,372)
P3337

>  <Name> (1,372)
WAY-322545

>  <Synonyms> (1,372)
N/A

>  <Target> (1,372)
GSK-3¦Á/¦Â

>  <Form> (1,372)
free base

>  <CAS> (1,372)
451449-70-0

>  <URL> (1,372)
N/A

$$$$
WAY-322940
csChFnd80/10202016042D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,373)
1288

>  <Formula> (1,373)
C22H20N4O4S

>  <MolWeight> (1,373)
436.4836

>  <Cat> (1,373)
P3338

>  <Name> (1,373)
WAY-322940

>  <Synonyms> (1,373)
N/A

>  <Target> (1,373)
Rho 

>  <Form> (1,373)
free base

>  <CAS> (1,373)
445267-51-6

>  <URL> (1,373)
N/A

$$$$
WAY-604116
csChFnd80/10202016042D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,374)
1289

>  <Formula> (1,374)
C17H22N2O

>  <MolWeight> (1,374)
270.36938

>  <Cat> (1,374)
P3436

>  <Name> (1,374)
WAY-604116

>  <Synonyms> (1,374)
N/A

>  <Target> (1,374)
sphingosine kinase,11¦Â-hydroxysteroid dehyd

>  <Form> (1,374)
free base

>  <CAS> (1,374)
121768-39-6

>  <URL> (1,374)
N/A

$$$$
WAY-603610
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,375)
1290

>  <Formula> (1,375)
C17H19N3OS

>  <MolWeight> (1,375)
313.41726

>  <Cat> (1,375)
P3434

>  <Name> (1,375)
WAY-603610

>  <Synonyms> (1,375)
N/A

>  <Target> (1,375)
GSK3

>  <Form> (1,375)
free base

>  <CAS> (1,375)
380450-97-5

>  <URL> (1,375)
N/A

$$$$
WAY-603814
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,376)
1291

>  <Formula> (1,376)
C16H13ClN2O3

>  <MolWeight> (1,376)
316.73902

>  <Cat> (1,376)
P3435

>  <Name> (1,376)
WAY-603814

>  <Synonyms> (1,376)
N/A

>  <Target> (1,376)
FGFR1, HSP 90 

>  <Form> (1,376)
free base

>  <CAS> (1,376)
308298-51-3

>  <URL> (1,376)
N/A

$$$$
WAY-636900
csChFnd80/10202016042D

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WAY-636900

>  <Synonyms> (1,377)
N/A

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Aurora kinase A

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free base

>  <CAS> (1,377)
792965-51-6

>  <URL> (1,377)
N/A

$$$$
WAY-636982
csChFnd80/10202016042D

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>  <Mol_ID> (1,378)
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C10H14N2O4

>  <MolWeight> (1,378)
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P3490

>  <Name> (1,378)
WAY-636982

>  <Synonyms> (1,378)
N/A

>  <Target> (1,378)
Aurora kinase A

>  <Form> (1,378)
free base

>  <CAS> (1,378)
834-45-7

>  <URL> (1,378)
N/A

$$$$
WAY-637081
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,379)
1294

>  <Formula> (1,379)
C17H11ClN4O2

>  <MolWeight> (1,379)
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>  <Cat> (1,379)
P3491

>  <Name> (1,379)
WAY-637081

>  <Synonyms> (1,379)
N/A

>  <Target> (1,379)
VEGFR2,Casein kinase 1d

>  <Form> (1,379)
free base

>  <CAS> (1,379)
793722-88-0

>  <URL> (1,379)
N/A

$$$$
WAY-637493
csChFnd80/10202016042D

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1295

>  <Formula> (1,380)
C18H14N4O3

>  <MolWeight> (1,380)
334.32876

>  <Cat> (1,380)
P3492

>  <Name> (1,380)
WAY-637493

>  <Synonyms> (1,380)
N/A

>  <Target> (1,380)
Fyn

>  <Form> (1,380)
free base

>  <CAS> (1,380)
791600-64-1

>  <URL> (1,380)
N/A

$$$$
WAY-637845
csChFnd80/10202016042D

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>  <Name> (1,381)
WAY-637845

>  <Synonyms> (1,381)
N/A

>  <Target> (1,381)
others

>  <Form> (1,381)
free base

>  <CAS> (1,381)
794539-14-3

>  <URL> (1,381)
N/A

$$$$
WAY-655860
csChFnd80/10202016042D

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>  <Name> (1,382)
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>  <Synonyms> (1,382)
N/A

>  <Target> (1,382)
B-Raf

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free base

>  <CAS> (1,382)
63895-45-4

>  <URL> (1,382)
N/A

$$$$
WAY-655978
csChFnd80/10202016042D

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>  <Name> (1,383)
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>  <Synonyms> (1,383)
N/A

>  <Target> (1,383)
ROCK, ERK, GSK, and AGC

>  <Form> (1,383)
free base

>  <CAS> (1,383)
692869-98-0

>  <URL> (1,383)
N/A

$$$$
WAY-656283
csChFnd80/10202016042D

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>  <Synonyms> (1,384)
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free base

>  <CAS> (1,384)
263270-62-8

>  <URL> (1,384)
N/A

$$$$
WAY-656935
csChFnd80/10202016042D

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>  <Cat> (1,385)
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>  <Name> (1,385)
WAY-656935

>  <Synonyms> (1,385)
N/A

>  <Target> (1,385)
 ROCK, ERK, GSK, and AGC 

>  <Form> (1,385)
free base

>  <CAS> (1,385)
852902-81-9

>  <URL> (1,385)
N/A

$$$$
WAY-657460
csChFnd80/10202016042D

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>  <Formula> (1,386)
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>  <MolWeight> (1,386)
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>  <Cat> (1,386)
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>  <Name> (1,386)
WAY-657460

>  <Synonyms> (1,386)
N/A

>  <Target> (1,386)
 ROCK, ERK, GSK, and AGC 

>  <Form> (1,386)
free base

>  <CAS> (1,386)
853325-19-6

>  <URL> (1,386)
N/A

$$$$
WAY-323534
csChFnd80/10202016042D

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PASK

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free base

>  <CAS> (1,387)
854040-96-3

>  <URL> (1,387)
N/A

$$$$
WAY-323878-A
csChFnd80/10202016042D

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>  <Synonyms> (1,388)
N/A

>  <Target> (1,388)
CDK

>  <Form> (1,388)
free base

>  <CAS> (1,388)
1185726-51-5

>  <URL> (1,388)
N/A

$$$$
WAY-323879
csChFnd80/10202016042D

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>  <Synonyms> (1,389)
N/A

>  <Target> (1,389)
CDK

>  <Form> (1,389)
free base

>  <CAS> (1,389)
685097-43-2

>  <URL> (1,389)
N/A

$$$$
WAY-324418
csChFnd80/10202016042D

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WAY-324418

>  <Synonyms> (1,390)
N/A

>  <Target> (1,390)
Anti-infection

>  <Form> (1,390)
free base

>  <CAS> (1,390)
681838-49-3

>  <URL> (1,390)
N/A

$$$$
WAY-324420
csChFnd80/10202016042D

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>  <Formula> (1,391)
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>  <Name> (1,391)
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>  <Synonyms> (1,391)
N/A

>  <Target> (1,391)
Anti-infection

>  <Form> (1,391)
free base

>  <CAS> (1,391)
681838-50-6

>  <URL> (1,391)
N/A

$$$$
WAY-324709
csChFnd80/10202016042D

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>  <Mol_ID> (1,392)
1307

>  <Formula> (1,392)
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>  <Cat> (1,392)
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>  <Name> (1,392)
WAY-324709

>  <Synonyms> (1,392)
N/A

>  <Target> (1,392)
ATP-kinase

>  <Form> (1,392)
free base

>  <CAS> (1,392)
69785-85-9

>  <URL> (1,392)
N/A

$$$$
WAY-325065
csChFnd80/10202016042D

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WAY-325185
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342785-98-2

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N/A

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WAY-325484
csChFnd80/10202016042D

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N/A

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WAY-325485
csChFnd80/10202016042D

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N/A

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WAY-325487
csChFnd80/10202016042D

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WAY-325490
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WAY-606344
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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M  END
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WAY-606954

>  <Synonyms> (1,400)
N/A

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GSK3

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free base

>  <CAS> (1,400)
748145-12-2

>  <URL> (1,400)
N/A

$$$$
WAY-606956
csChFnd80/10202016042D

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1316

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>  <MolWeight> (1,401)
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>  <Name> (1,401)
WAY-606956

>  <Synonyms> (1,401)
N/A

>  <Target> (1,401)
GSK3

>  <Form> (1,401)
free base

>  <CAS> (1,401)
748145-19-9

>  <URL> (1,401)
N/A

$$$$
WAY-606957
csChFnd80/10202016042D

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1317

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>  <MolWeight> (1,402)
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WAY-606957

>  <Synonyms> (1,402)
N/A

>  <Target> (1,402)
GSK3

>  <Form> (1,402)
free base

>  <CAS> (1,402)
1062138-03-7

>  <URL> (1,402)
N/A

$$$$
WAY-606958
csChFnd80/10202016042D

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>  <Mol_ID> (1,403)
1318

>  <Formula> (1,403)
C23H23N5O

>  <MolWeight> (1,403)
385.46162

>  <Cat> (1,403)
P3441

>  <Name> (1,403)
WAY-606958

>  <Synonyms> (1,403)
N/A

>  <Target> (1,403)
Casein kinase 1¦Ä

>  <Form> (1,403)
free base

>  <CAS> (1,403)
882220-11-3

>  <URL> (1,403)
N/A

$$$$
WAY-297342
csChFnd80/10202016042D

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    0.6625    0.0749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3591    2.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202   -1.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1064    0.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2074   -0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6556   -1.8665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8901   -1.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8901    0.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0108   -1.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5832   -0.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,404)
1319

>  <Formula> (1,404)
C15H15N3O2S

>  <MolWeight> (1,404)
301.3635

>  <Cat> (1,404)
P3298

>  <Name> (1,404)
WAY-297342

>  <Synonyms> (1,404)
N/A

>  <Target> (1,404)
Anti-infection,FLT3,SirT1,ATP-utilizing enzy

>  <Form> (1,404)
free base

>  <CAS> (1,404)
298207-49-5

>  <URL> (1,404)
N/A

$$$$
WAY-297629
csChFnd80/10202016042D

 26 29  0  0  0  0  0  0  0  0999 V2000
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   -2.0207   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -0.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5793    1.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1724   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 16 19  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,405)
1320

>  <Formula> (1,405)
C21H18N2O3

>  <MolWeight> (1,405)
346.37922

>  <Cat> (1,405)
P3299

>  <Name> (1,405)
WAY-297629

>  <Synonyms> (1,405)
N/A

>  <Target> (1,405)
VEGFR2

>  <Form> (1,405)
free base

>  <CAS> (1,405)
371213-22-8

>  <URL> (1,405)
N/A

$$$$
GI-569525
csChFnd80/10202016042D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.3625    1.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4763    1.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0341    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4763   -0.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2694   -2.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3341   -3.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
 12 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,406)
1321

>  <Formula> (1,406)
C18H17NO4S

>  <MolWeight> (1,406)
343.39688

>  <Cat> (1,406)
P3260

>  <Name> (1,406)
GI-569525

>  <Synonyms> (1,406)
N/A

>  <Target> (1,406)
Anti-infection

>  <Form> (1,406)
free base

>  <CAS> (1,406)
96334-43-9

>  <URL> (1,406)
N/A

$$$$
WAY-298041
csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0586   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172    0.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5138    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5207   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,407)
1322

>  <Formula> (1,407)
C17H15N3O2

>  <MolWeight> (1,407)
293.3199

>  <Cat> (1,407)
P3300

>  <Name> (1,407)
WAY-298041

>  <Synonyms> (1,407)
N/A

>  <Target> (1,407)
c-Met

>  <Form> (1,407)
free base

>  <CAS> (1,407)
299405-67-7

>  <URL> (1,407)
N/A

$$$$
WAY-298350
csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.5005   -5.8010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0735   -4.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9200   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3310   -5.8010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6620   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7420   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5005   -7.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620   -7.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5890   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1450   -9.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5640   -8.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -5.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1450  -10.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400   -7.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
  6  9  1  0  0  0  0
 20 21  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,408)
1323

>  <Formula> (1,408)
C17H17NO3

>  <MolWeight> (1,408)
283.32178

>  <Cat> (1,408)
P3301

>  <Name> (1,408)
WAY-298350

>  <Synonyms> (1,408)
N/A

>  <Target> (1,408)
A kinase anchor protein/protein kinase A int

>  <Form> (1,408)
free base

>  <CAS> (1,408)
304888-67-3

>  <URL> (1,408)
N/A

$$$$
WAY-298516
csChFnd80/10202016042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.0297    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9262    1.2942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2703    0.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3193   -0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055    1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5331    2.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,409)
1324

>  <Formula> (1,409)
C14H13ClN2O3

>  <MolWeight> (1,409)
292.71762

>  <Cat> (1,409)
P3302

>  <Name> (1,409)
WAY-298516

>  <Synonyms> (1,409)
N/A

>  <Target> (1,409)
Androgen Receptor,RAD51,GSK-3

>  <Form> (1,409)
free base

>  <CAS> (1,409)
103056-35-5

>  <URL> (1,409)
N/A

$$$$
WAY-298668
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,410)
1325

>  <Formula> (1,410)
C22H23N5O3

>  <MolWeight> (1,410)
405.44972

>  <Cat> (1,410)
P3303

>  <Name> (1,410)
WAY-298668

>  <Synonyms> (1,410)
N/A

>  <Target> (1,410)
Aurora-A,JAMM protease

>  <Form> (1,410)
free base

>  <CAS> (1,410)
371224-09-8

>  <URL> (1,410)
N/A

$$$$
WAY-607324
csChFnd80/10202016042D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
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 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14 16  1  0  0  0  0
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 16  9  2  0  0  0  0
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 17 14  2  0  0  0  0
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M  END
>  <Mol_ID> (1,411)
1326

>  <Formula> (1,411)
C13H8N2O2S2

>  <MolWeight> (1,411)
288.34482

>  <Cat> (1,411)
P3442

>  <Name> (1,411)
WAY-607324

>  <Synonyms> (1,411)
N/A

>  <Target> (1,411)
Mcl-1,ASK1

>  <Form> (1,411)
free base

>  <CAS> (1,411)
1427537-92-5

>  <URL> (1,411)
N/A

$$$$
WAY-607500
csChFnd80/10202016042D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,412)
1327

>  <Formula> (1,412)
C19H18N2O2

>  <MolWeight> (1,412)
306.35842

>  <Cat> (1,412)
P3443

>  <Name> (1,412)
WAY-607500

>  <Synonyms> (1,412)
N/A

>  <Target> (1,412)
VEGFR

>  <Form> (1,412)
free base

>  <CAS> (1,412)
186610-88-8

>  <URL> (1,412)
N/A

$$$$
WAY-607738
csChFnd80/10202016042D

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 10  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,413)
1328

>  <Formula> (1,413)
C22H18N4O6

>  <MolWeight> (1,413)
434.40152

>  <Cat> (1,413)
P3444

>  <Name> (1,413)
WAY-607738

>  <Synonyms> (1,413)
N/A

>  <Target> (1,413)
Mcl-1,mitogen-activated protein kinase phosp

>  <Form> (1,413)
free base

>  <CAS> (1,413)
522624-94-8

>  <URL> (1,413)
N/A

$$$$
WAY-607777
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,414)
1329

>  <Formula> (1,414)
C16H12ClN3O2S2

>  <MolWeight> (1,414)
377.86838

>  <Cat> (1,414)
P3445

>  <Name> (1,414)
WAY-607777

>  <Synonyms> (1,414)
N/A

>  <Target> (1,414)
Casein kinase 1d

>  <Form> (1,414)
free base

>  <CAS> (1,414)
522626-08-0

>  <URL> (1,414)
N/A

$$$$
WAY-619275
csChFnd80/10202016042D

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  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
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 11  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,415)
1330

>  <Formula> (1,415)
C12H11N5O

>  <MolWeight> (1,415)
241.24864

>  <Cat> (1,415)
P3457

>  <Name> (1,415)
WAY-619275

>  <Synonyms> (1,415)
N/A

>  <Target> (1,415)
Plk1 kinase,EphB2

>  <Form> (1,415)
free base

>  <CAS> (1,415)
73663-97-5

>  <URL> (1,415)
N/A

$$$$
WAY-619999
csChFnd80/10202016042D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11 17  2  0  0  0  0
 12 11  1  0  0  0  0
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 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
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 29 20  1  0  0  0  0
 30 22  1  0  0  0  0
 31 29  1  0  0  0  0
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  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> (1,416)
1331

>  <Formula> (1,416)
C22H19Cl2N3O4

>  <MolWeight> (1,416)
460.30996

>  <Cat> (1,416)
P3458

>  <Name> (1,416)
WAY-619999

>  <Synonyms> (1,416)
N/A

>  <Target> (1,416)
CK2,GSK3¦Â

>  <Form> (1,416)
free base

>  <CAS> (1,416)
736932-33-5

>  <URL> (1,416)
N/A

$$$$
WAY-620099
csChFnd80/10202016042D

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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
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 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
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 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> (1,417)
1332

>  <Formula> (1,417)
C15H12ClN3S

>  <MolWeight> (1,417)
301.79388

>  <Cat> (1,417)
P3459

>  <Name> (1,417)
WAY-620099

>  <Synonyms> (1,417)
N/A

>  <Target> (1,417)
tyrosine kinase,PI3K,phosphodiesterase V

>  <Form> (1,417)
free base

>  <CAS> (1,417)
128277-24-7

>  <URL> (1,417)
N/A

$$$$
WAY-620147
csChFnd80/10202016042D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  5  6  2  0  0  0  0
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M  END
>  <Mol_ID> (1,418)
1333

>  <Formula> (1,418)
C12H16BrN3O2

>  <MolWeight> (1,418)
314.17834

>  <Cat> (1,418)
P3460

>  <Name> (1,418)
WAY-620147

>  <Synonyms> (1,418)
N/A

>  <Target> (1,418)
monoamine oxidase a

>  <Form> (1,418)
free base

>  <CAS> (1,418)
515866-67-8

>  <URL> (1,418)
N/A

$$$$
WAY-638641
csChFnd80/10202016042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10 21  1  0  0  0  0
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 15  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,419)
1334

>  <Formula> (1,419)
C16H17N3O5S

>  <MolWeight> (1,419)
363.38828

>  <Cat> (1,419)
P3494

>  <Name> (1,419)
WAY-638641

>  <Synonyms> (1,419)
N/A

>  <Target> (1,419)
Aurora kinase A

>  <Form> (1,419)
free base

>  <CAS> (1,419)
796068-62-7

>  <URL> (1,419)
N/A

$$$$
WAY-638796
csChFnd80/10202016042D

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  4  2  2  0  0  0  0
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  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
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 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
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 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
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 19 16  2  0  0  0  0
  8  9  2  0  0  0  0
  5  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,420)
1335

>  <Formula> (1,420)
C14H10ClN3S

>  <MolWeight> (1,420)
287.7673

>  <Cat> (1,420)
P3495

>  <Name> (1,420)
WAY-638796

>  <Synonyms> (1,420)
N/A

>  <Target> (1,420)
tyrosine kinase

>  <Form> (1,420)
free base

>  <CAS> (1,420)
796067-64-6

>  <URL> (1,420)
N/A

$$$$
WAY-639405
csChFnd80/10202016042D

 28 32  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
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  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 21  1  0  0  0  0
 21 11  1  0  0  0  0
 22 10  2  0  0  0  0
 23 20  1  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 28  1  0  0  0  0
 28 26  2  0  0  0  0
  8  9  2  0  0  0  0
  5  3  2  0  0  0  0
 27 18  2  0  0  0  0
 13 12  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,421)
1336

>  <Formula> (1,421)
C21H18N4O2S

>  <MolWeight> (1,421)
390.45822

>  <Cat> (1,421)
P3496

>  <Name> (1,421)
WAY-639405

>  <Synonyms> (1,421)
N/A

>  <Target> (1,421)
tyrosine kinase,phosphodiesterase V

>  <Form> (1,421)
free base

>  <CAS> (1,421)
796052-04-5

>  <URL> (1,421)
N/A

$$$$
WAY-658341
csChFnd80/10202016042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10 12  2  0  0  0  0
 11  3  1  0  0  0  0
 12 16  1  0  0  0  0
 13  2  1  0  0  0  0
 14 11  2  0  0  0  0
 15  9  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19  9  1  0  0  0  0
 20 15  1  0  0  0  0
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 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
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 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
  4  6  1  0  0  0  0
 28 22  2  0  0  0  0
  3  7  2  0  0  0  0
 27 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,422)
1337

>  <Formula> (1,422)
C18H15BrN6O2S

>  <MolWeight> (1,422)
459.3197

>  <Cat> (1,422)
P3525

>  <Name> (1,422)
WAY-658341

>  <Synonyms> (1,422)
N/A

>  <Target> (1,422)
Casein kinase 1d

>  <Form> (1,422)
free base

>  <CAS> (1,422)
849012-74-4

>  <URL> (1,422)
N/A

$$$$
WAY-658513
csChFnd80/10202016042D

 23 25  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  9  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  3  1  0  0  0  0
 13  7  2  0  0  0  0
 14 21  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17 18  2  0  0  0  0
 18 11  1  0  0  0  0
 19 10  2  0  0  0  0
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 21 23  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  2  0  0  0  0
  8  3  2  0  0  0  0
 14 20  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,423)
1338

>  <Formula> (1,423)
C16H11ClFN3OS

>  <MolWeight> (1,423)
347.7944432

>  <Cat> (1,423)
P3526

>  <Name> (1,423)
WAY-658513

>  <Synonyms> (1,423)
N/A

>  <Target> (1,423)
ROCK, ERK, GSK, and AGC

>  <Form> (1,423)
free base

>  <CAS> (1,423)
692870-25-0

>  <URL> (1,423)
N/A

$$$$
WAY-326250
csChFnd80/10202016042D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  7  2  1  0  0  0  0
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 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
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 16 14  2  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,424)
1339

>  <Formula> (1,424)
C15H13N5OS

>  <MolWeight> (1,424)
311.36162

>  <Cat> (1,424)
P3351

>  <Name> (1,424)
WAY-326250

>  <Synonyms> (1,424)
N/A

>  <Target> (1,424)
shikimate kinase

>  <Form> (1,424)
free base

>  <CAS> (1,424)
869872-13-9

>  <URL> (1,424)
N/A

$$$$
WAY-326542
csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15  1  1  0  0  0  0
 16  8  1  0  0  0  0
 17  5  2  0  0  0  0
 18  7  2  0  0  0  0
 19  9  1  0  0  0  0
 20 21  2  0  0  0  0
 21 18  1  0  0  0  0
  5  2  1  0  0  0  0
 13 11  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,425)
1340

>  <Formula> (1,425)
C16H15NO3S

>  <MolWeight> (1,425)
301.3602

>  <Cat> (1,425)
P3352

>  <Name> (1,425)
WAY-326542

>  <Synonyms> (1,425)
N/A

>  <Target> (1,425)
CDK5/p25

>  <Form> (1,425)
free base

>  <CAS> (1,425)
870983-04-3

>  <URL> (1,425)
N/A

$$$$
WAY-326578
csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 21  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
  7  3  1  0  0  0  0
  6  9  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,426)
1341

>  <Formula> (1,426)
C16H16N2O3S

>  <MolWeight> (1,426)
316.37484

>  <Cat> (1,426)
P3353

>  <Name> (1,426)
WAY-326578

>  <Synonyms> (1,426)
N/A

>  <Target> (1,426)
GSK-3b

>  <Form> (1,426)
free base

>  <CAS> (1,426)
870984-34-2

>  <URL> (1,426)
N/A

$$$$
WAY-326890
csChFnd80/10202016042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11  1  2  0  0  0  0
 12  8  2  0  0  0  0
 13  3  1  0  0  0  0
 14 13  1  0  0  0  0
 15  3  2  0  0  0  0
 16  3  2  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
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 21  8  1  0  0  0  0
 22 21  2  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 20  1  0  0  0  0
 18  6  1  0  0  0  0
  7  5  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,427)
1342

>  <Formula> (1,427)
C17H17N3O3S2

>  <MolWeight> (1,427)
375.46518

>  <Cat> (1,427)
P3354

>  <Name> (1,427)
WAY-326890

>  <Synonyms> (1,427)
N/A

>  <Target> (1,427)
Others

>  <Form> (1,427)
free base

>  <CAS> (1,427)
685865-67-2

>  <URL> (1,427)
N/A

$$$$
WAY-326891
csChFnd80/10202016042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  2  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17  8  2  0  0  0  0
 18 10  1  0  0  0  0
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 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
 16  6  1  0  0  0  0
  7  5  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,428)
1343

>  <Formula> (1,428)
C17H17N3O3S2

>  <MolWeight> (1,428)
375.46518

>  <Cat> (1,428)
P3355

>  <Name> (1,428)
WAY-326891

>  <Synonyms> (1,428)
N/A

>  <Target> (1,428)
kinase

>  <Form> (1,428)
free base

>  <CAS> (1,428)
685865-71-8

>  <URL> (1,428)
N/A

$$$$
WAY-326892
csChFnd80/10202016042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
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>  <Formula> (1,429)
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>  <MolWeight> (1,429)
375.46518

>  <Cat> (1,429)
P3356

>  <Name> (1,429)
WAY-326892

>  <Synonyms> (1,429)
N/A

>  <Target> (1,429)
kinase

>  <Form> (1,429)
free base

>  <CAS> (1,429)
685865-72-9

>  <URL> (1,429)
N/A

$$$$
WAY-326893
csChFnd80/10202016042D

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>  <Mol_ID> (1,430)
1345

>  <Formula> (1,430)
C17H17N3O3S2

>  <MolWeight> (1,430)
375.46518

>  <Cat> (1,430)
P3357

>  <Name> (1,430)
WAY-326893

>  <Synonyms> (1,430)
N/A

>  <Target> (1,430)
Others

>  <Form> (1,430)
free base

>  <CAS> (1,430)
685865-73-0

>  <URL> (1,430)
N/A

$$$$
WAY-326894
csChFnd80/10202016042D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,431)
1346

>  <Formula> (1,431)
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>  <MolWeight> (1,431)
365.4024832

>  <Cat> (1,431)
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>  <Name> (1,431)
WAY-326894

>  <Synonyms> (1,431)
N/A

>  <Target> (1,431)
kinase

>  <Form> (1,431)
free base

>  <CAS> (1,431)
685865-75-2

>  <URL> (1,431)
N/A

$$$$
WAY-327480
csChFnd80/10202016042D

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>  <Mol_ID> (1,432)
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>  <Formula> (1,432)
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>  <MolWeight> (1,432)
437.53456

>  <Cat> (1,432)
P3359

>  <Name> (1,432)
WAY-327480

>  <Synonyms> (1,432)
N/A

>  <Target> (1,432)
ROS

>  <Form> (1,432)
free base

>  <CAS> (1,432)
687576-28-9

>  <URL> (1,432)
N/A

$$$$
WAY-328158
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,433)
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>  <Formula> (1,433)
C19H16FN3O3S

>  <MolWeight> (1,433)
385.4120432

>  <Cat> (1,433)
P3360

>  <Name> (1,433)
WAY-328158

>  <Synonyms> (1,433)
N/A

>  <Target> (1,433)
BCR-ABL

>  <Form> (1,433)
free base

>  <CAS> (1,433)
688050-42-2

>  <URL> (1,433)
N/A

$$$$
WAY-621129
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,434)
1349

>  <Formula> (1,434)
C16H12O4

>  <MolWeight> (1,434)
268.26408

>  <Cat> (1,434)
P3461

>  <Name> (1,434)
WAY-621129

>  <Synonyms> (1,434)
N/A

>  <Target> (1,434)
SIRT6,BCRP/ABCG2,CK2,HIV-1 protease,CDK

>  <Form> (1,434)
free base

>  <CAS> (1,434)
6889-78-7

>  <URL> (1,434)
N/A

$$$$
WAY-621555
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,435)
1350

>  <Formula> (1,435)
C22H21N5

>  <MolWeight> (1,435)
355.43564

>  <Cat> (1,435)
P3462

>  <Name> (1,435)
WAY-621555

>  <Synonyms> (1,435)
N/A

>  <Target> (1,435)
Casein kinase 1¦Ä

>  <Form> (1,435)
free base

>  <CAS> (1,435)
956753-89-2

>  <URL> (1,435)
N/A

$$$$
WAY-621640
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,436)
1351

>  <Formula> (1,436)
C17H15N3O2S

>  <MolWeight> (1,436)
325.3849

>  <Cat> (1,436)
P3463

>  <Name> (1,436)
WAY-621640

>  <Synonyms> (1,436)
N/A

>  <Target> (1,436)
Casein kinase 1¦Ä

>  <Form> (1,436)
free base

>  <CAS> (1,436)
742113-71-9

>  <URL> (1,436)
N/A

$$$$
WAY-621856
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,437)
1352

>  <Formula> (1,437)
C16H9N5O3S

>  <MolWeight> (1,437)
351.33936

>  <Cat> (1,437)
P3464

>  <Name> (1,437)
WAY-621856

>  <Synonyms> (1,437)
N/A

>  <Target> (1,437)
FGFR

>  <Form> (1,437)
free base

>  <CAS> (1,437)
606958-57-0

>  <URL> (1,437)
N/A

$$$$
WAY-639932
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,438)
1353

>  <Formula> (1,438)
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336.43398

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P3497

>  <Name> (1,438)
WAY-639932

>  <Synonyms> (1,438)
N/A

>  <Target> (1,438)
Casein kinase 1¦Ä

>  <Form> (1,438)
free base

>  <CAS> (1,438)
851467-69-1

>  <URL> (1,438)
N/A

$$$$
WAY-660114
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,439)
1354

>  <Formula> (1,439)
C14H9FN6S2

>  <MolWeight> (1,439)
344.3898632

>  <Cat> (1,439)
P3527

>  <Name> (1,439)
WAY-660114

>  <Synonyms> (1,439)
N/A

>  <Target> (1,439)
kinase

>  <Form> (1,439)
free base

>  <CAS> (1,439)
871317-00-9

>  <URL> (1,439)
N/A

$$$$
WAY-660222
csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  1  1  0  0  0  0
 15  6  1  0  0  0  0
 16  5  1  0  0  0  0
 17 10  1  0  0  0  0
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 10  6  2  0  0  0  0
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M  END
>  <Mol_ID> (1,440)
1355

>  <Formula> (1,440)
C19H13FO

>  <MolWeight> (1,440)
276.3043232

>  <Cat> (1,440)
P3528

>  <Name> (1,440)
WAY-660222

>  <Synonyms> (1,440)
N/A

>  <Target> (1,440)
EGFR

>  <Form> (1,440)
free base

>  <CAS> (1,440)
867294-23-3

>  <URL> (1,440)
N/A

$$$$
WAY-660667
csChFnd80/10202016042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
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 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 10  1  0  0  0  0
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 25 23  2  0  0  0  0
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 11 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,441)
1356

>  <Formula> (1,441)
C17H17N5O3

>  <MolWeight> (1,441)
339.34858

>  <Cat> (1,441)
P3529

>  <Name> (1,441)
WAY-660667

>  <Synonyms> (1,441)
N/A

>  <Target> (1,441)
ROS

>  <Form> (1,441)
free base

>  <CAS> (1,441)
871218-26-7

>  <URL> (1,441)
N/A

$$$$
WAY-661516
csChFnd80/10202016042D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 10 20  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
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 21  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,442)
1357

>  <Formula> (1,442)
C15H15ClFN3O5

>  <MolWeight> (1,442)
371.7481032

>  <Cat> (1,442)
P3530

>  <Name> (1,442)
WAY-661516

>  <Synonyms> (1,442)
N/A

>  <Target> (1,442)
Aurora kinase A

>  <Form> (1,442)
free base

>  <CAS> (1,442)
875163-98-7

>  <URL> (1,442)
N/A

$$$$
CL-230482
csChFnd80/10202016042D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,443)
1358

>  <Formula> (1,443)
C15H12N2O

>  <MolWeight> (1,443)
236.26858

>  <Cat> (1,443)
P3255

>  <Name> (1,443)
CL-230482

>  <Synonyms> (1,443)
N/A

>  <Target> (1,443)
PDGFR

>  <Form> (1,443)
free base

>  <CAS> (1,443)
909859-35-4

>  <URL> (1,443)
N/A

$$$$
WYE-163716-A
csChFnd80/10202016042D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.2542   -0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5783   -0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1990   -0.0273    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9404    0.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3907   -0.7204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8852   -1.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4921    0.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542    1.4624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0162    1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4024    1.2279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5872   -2.0273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5714    2.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3700   -1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8507    2.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2769   -1.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0424    0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0596   -1.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9286   -0.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9148    1.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,444)
1359

>  <Formula> (1,444)
C15H14N4O2S2

>  <MolWeight> (1,444)
346.42726

>  <Cat> (1,444)
P3533

>  <Name> (1,444)
WYE-163716-A

>  <Synonyms> (1,444)
N/A

>  <Target> (1,444)
rRNA ErmC' methyltransferase,F508del-CFTR,PI

>  <Form> (1,444)
free base

>  <CAS> (1,444)
92902-64-2

>  <URL> (1,444)
N/A

$$$$
WYE-175765
csChFnd80/10202016042D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.4583    0.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -3.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 20  2  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
  9 12  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,445)
1360

>  <Formula> (1,445)
C14H13NO6S

>  <MolWeight> (1,445)
323.32112

>  <Cat> (1,445)
P3534

>  <Name> (1,445)
WYE-175765

>  <Synonyms> (1,445)
N/A

>  <Target> (1,445)
JAK3,YopH,antibacterial

>  <Form> (1,445)
free base

>  <CAS> (1,445)
956236-35-4

>  <URL> (1,445)
N/A

$$$$
WYE-175829
csChFnd80/10202016042D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.3792   -0.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0333    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0917    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8083    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4792    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  2  0  0  0  0
 15  8  1  0  0  0  0
 16  9  2  0  0  0  0
 17 11  1  0  0  0  0
 18 13  2  0  0  0  0
 19 15  2  0  0  0  0
 16 14  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,446)
1361

>  <Formula> (1,446)
C13H14N2O3S

>  <MolWeight> (1,446)
278.32686

>  <Cat> (1,446)
P3535

>  <Name> (1,446)
WYE-175829

>  <Synonyms> (1,446)
N/A

>  <Target> (1,446)
tyrosine kinase,gonadotropin-releasing hormo

>  <Form> (1,446)
free base

>  <CAS> (1,446)
327093-01-6

>  <URL> (1,446)
N/A

$$$$
WYE-175837
csChFnd80/10202016042D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.1349   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1349   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6349   -2.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6556    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8755   -1.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1556    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1452    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651    2.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1556    3.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 10  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,447)
1362

>  <Formula> (1,447)
C14H14N2O2

>  <MolWeight> (1,447)
242.27316

>  <Cat> (1,447)
P3536

>  <Name> (1,447)
WYE-175837

>  <Synonyms> (1,447)
N/A

>  <Target> (1,447)
BTK,VEGFR-2,Protein Arginine Deiminase

>  <Form> (1,447)
free base

>  <CAS> (1,447)
891-35-0

>  <URL> (1,447)
N/A

$$$$
WYE-175840
csChFnd80/10202016042D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.2375    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8625    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3125    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  5  2  0  0  0  0
 14  4  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18  3  1  0  0  0  0
 19  6  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  3  4  1  0  0  0  0
 15 17  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,448)
1363

>  <Formula> (1,448)
C17H19N5O3S

>  <MolWeight> (1,448)
373.42946

>  <Cat> (1,448)
P3537

>  <Name> (1,448)
WYE-175840

>  <Synonyms> (1,448)
N/A

>  <Target> (1,448)
Glutamate Racemase,protein kinase-activated 

>  <Form> (1,448)
free base

>  <CAS> (1,448)
380432-29-1

>  <URL> (1,448)
N/A

$$$$
WYE-176092
csChFnd80/10202016042D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.5910    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6324    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3186   -0.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1331    0.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9531   -0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3531    0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1669   -1.3511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7090   -1.0477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090    0.7040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1565    1.9385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9807   -0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3669    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4331   -0.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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free base

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N/A

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WAY-333491
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N/A

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LRRK2

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free base

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852375-30-5

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N/A

$$$$
WAY-333434
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free base

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721964-45-0

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N/A

$$$$
WAY-662864
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UMPK

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free base

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1621866-83-8

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N/A

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WAY-278752
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free base

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331652-38-1

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N/A

$$$$
WAY-329594
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M  END
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>  <Synonyms> (1,454)
N/A

>  <Target> (1,454)
others

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free base

>  <CAS> (1,454)
956910-37-5

>  <URL> (1,454)
N/A

$$$$
WAY-329599
csChFnd80/10202016042D

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M  END
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1370

>  <Formula> (1,455)
C14H10FN3O3S2

>  <MolWeight> (1,455)
351.3759032

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P3371

>  <Name> (1,455)
WAY-329599

>  <Synonyms> (1,455)
N/A

>  <Target> (1,455)
others

>  <Form> (1,455)
free base

>  <CAS> (1,455)
956910-38-6

>  <URL> (1,455)
N/A

$$$$
WAY-329603
csChFnd80/10202016042D

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M  END
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>  <Formula> (1,456)
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>  <MolWeight> (1,456)
381.85708

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>  <Synonyms> (1,456)
N/A

>  <Target> (1,456)
others

>  <Form> (1,456)
free base

>  <CAS> (1,456)
956910-39-7

>  <URL> (1,456)
N/A

$$$$
WAY-329598
csChFnd80/10202016042D

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1372

>  <Formula> (1,457)
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>  <MolWeight> (1,457)
361.4386

>  <Cat> (1,457)
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>  <Synonyms> (1,457)
N/A

>  <Target> (1,457)
others

>  <Form> (1,457)
free base

>  <CAS> (1,457)
956910-48-8

>  <URL> (1,457)
N/A

$$$$
WAY-329607
csChFnd80/10202016042D

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>  <Formula> (1,458)
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>  <MolWeight> (1,458)
385.8209632

>  <Cat> (1,458)
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>  <Name> (1,458)
WAY-329607

>  <Synonyms> (1,458)
N/A

>  <Target> (1,458)
others

>  <Form> (1,458)
free base

>  <CAS> (1,458)
956920-91-5

>  <URL> (1,458)
N/A

$$$$
WAY-278535
csChFnd80/10202016042D

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M  END
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>  <MolWeight> (1,459)
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>  <Name> (1,459)
WAY-278535

>  <Synonyms> (1,459)
N/A

>  <Target> (1,459)
Pim-1,Pim-2,PPAR

>  <Form> (1,459)
free base

>  <CAS> (1,459)
24138-83-8

>  <URL> (1,459)
N/A

$$$$
WAY-278534
csChFnd80/10202016042D

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>  <Formula> (1,460)
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>  <MolWeight> (1,460)
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>  <Cat> (1,460)
P3292

>  <Name> (1,460)
WAY-278534

>  <Synonyms> (1,460)
N/A

>  <Target> (1,460)
Pim-1,Pim-2

>  <Form> (1,460)
free base

>  <CAS> (1,460)
6320-51-0

>  <URL> (1,460)
N/A

$$$$
WAY-299369
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,461)
1376

>  <Formula> (1,461)
C15H15ClN2O3

>  <MolWeight> (1,461)
306.7442

>  <Cat> (1,461)
P3304

>  <Name> (1,461)
WAY-299369

>  <Synonyms> (1,461)
N/A

>  <Target> (1,461)
AR,DNA binding,GSK-3¦Á/¦Â,MDM4 and p53

>  <Form> (1,461)
free base

>  <CAS> (1,461)
1005078-45-4

>  <URL> (1,461)
N/A

$$$$
WAY-382818
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,462)
1377

>  <Formula> (1,462)
C24H20N4O5

>  <MolWeight> (1,462)
444.4394

>  <Cat> (1,462)
P3418

>  <Name> (1,462)
WAY-382818

>  <Synonyms> (1,462)
N/A

>  <Target> (1,462)
mitogen-activated protein kinase phosphatase

>  <Form> (1,462)
free base

>  <CAS> (1,462)
1022922-35-5

>  <URL> (1,462)
N/A

$$$$
WAY-383270
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,463)
1378

>  <Formula> (1,463)
C23H24FN3O2S

>  <MolWeight> (1,463)
425.5189632

>  <Cat> (1,463)
P3419

>  <Name> (1,463)
WAY-383270

>  <Synonyms> (1,463)
N/A

>  <Target> (1,463)
Casein kinase 1¦Ä

>  <Form> (1,463)
free base

>  <CAS> (1,463)
1024284-84-1

>  <URL> (1,463)
N/A

$$$$
GI-566508
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,464)
1379

>  <Formula> (1,464)
C17H17N3S

>  <MolWeight> (1,464)
295.40198

>  <Cat> (1,464)
P3259

>  <Name> (1,464)
GI-566508

>  <Synonyms> (1,464)
N/A

>  <Target> (1,464)
EGFR 

>  <Form> (1,464)
free base

>  <CAS> (1,464)
1164458-14-3

>  <URL> (1,464)
N/A

$$$$
WAY-107407
csChFnd80/10202016042D

 20 23  0  0  0  0  0  0  0  0999 V2000
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  8 11  1  0  0  0  0
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 16 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,465)
1380

>  <Formula> (1,465)
C15H12N2O3

>  <MolWeight> (1,465)
268.26738

>  <Cat> (1,465)
P3262

>  <Name> (1,465)
WAY-107407

>  <Synonyms> (1,465)
N/A

>  <Target> (1,465)
PI3K

>  <Form> (1,465)
free base

>  <CAS> (1,465)
1164469-67-3

>  <URL> (1,465)
N/A

$$$$
WAY-114506
csChFnd80/10202016042D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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 10  1  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14  3  1  0  0  0  0
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 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
  6  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,466)
1381

>  <Formula> (1,466)
C10H18N4O4

>  <MolWeight> (1,466)
258.27432

>  <Cat> (1,466)
P3265

>  <Name> (1,466)
WAY-114506

>  <Synonyms> (1,466)
N/A

>  <Target> (1,466)
amyloid beta

>  <Form> (1,466)
free base

>  <CAS> (1,466)
1164500-43-9

>  <URL> (1,466)
N/A

$$$$
WAY-221060-A
csChFnd80/10202016042D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  1  0  0  0  0
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 18 15  1  0  0  0  0
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 18 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,467)
1382

>  <Formula> (1,467)
C17H25NO

>  <MolWeight> (1,467)
259.3865

>  <Cat> (1,467)
P3266

>  <Name> (1,467)
WAY-221060-A

>  <Synonyms> (1,467)
N/A

>  <Target> (1,467)
hOCT1 and hOCT2,JARID1A and JARID1B

>  <Form> (1,467)
free base

>  <CAS> (1,467)
1351406-38-6

>  <URL> (1,467)
N/A

$$$$
WAY-240932
csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
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 10 15  1  0  0  0  0
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 18 21  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,468)
1383

>  <Formula> (1,468)
C15H11BrN2O2S

>  <MolWeight> (1,468)
363.22904

>  <Cat> (1,468)
P3269

>  <Name> (1,468)
WAY-240932

>  <Synonyms> (1,468)
N/A

>  <Target> (1,468)
serine/threonine kinase

>  <Form> (1,468)
free base

>  <CAS> (1,468)
326914-66-3

>  <URL> (1,468)
N/A

$$$$
WAY-299590
csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
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 14  9  1  0  0  0  0
 15  4  1  0  0  0  0
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 12 13  1  0  0  0  0
 15 19  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,469)
1384

>  <Formula> (1,469)
C19H20FNO

>  <MolWeight> (1,469)
297.3666032

>  <Cat> (1,469)
P3305

>  <Name> (1,469)
WAY-299590

>  <Synonyms> (1,469)
N/A

>  <Target> (1,469)
InhA,p38a

>  <Form> (1,469)
free base

>  <CAS> (1,469)
260428-61-3

>  <URL> (1,469)
N/A

$$$$
WAY-300062
csChFnd80/10202016042D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 21 23  2  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,470)
1385

>  <Formula> (1,470)
C16H16N4O2S

>  <MolWeight> (1,470)
328.38884

>  <Cat> (1,470)
P3307

>  <Name> (1,470)
WAY-300062

>  <Synonyms> (1,470)
N/A

>  <Target> (1,470)
Anti-infection

>  <Form> (1,470)
free base

>  <CAS> (1,470)
330990-68-6

>  <URL> (1,470)
N/A

$$$$
WAY-299721
csChFnd80/10202016042D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
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  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  5  9  2  0  0  0  0
 13 15  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,471)
1386

>  <Formula> (1,471)
C18H15ClF3N5OS

>  <MolWeight> (1,471)
441.8578096

>  <Cat> (1,471)
P3306

>  <Name> (1,471)
WAY-299721

>  <Synonyms> (1,471)
N/A

>  <Target> (1,471)
SYK kinase

>  <Form> (1,471)
free base

>  <CAS> (1,471)
338427-78-4

>  <URL> (1,471)
N/A

$$$$
WAY-300385
csChFnd80/10202016042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,472)
1387

>  <Formula> (1,472)
C13H15N3O2S2

>  <MolWeight> (1,472)
309.4071

>  <Cat> (1,472)
P3308

>  <Name> (1,472)
WAY-300385

>  <Synonyms> (1,472)
N/A

>  <Target> (1,472)
Anti-infection

>  <Form> (1,472)
free base

>  <CAS> (1,472)
500188-71-6

>  <URL> (1,472)
N/A

$$$$
WAY-300442
csChFnd80/10202016042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
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 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
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 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 18 22  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,473)
1388

>  <Formula> (1,473)
C18H11BrN2O4

>  <MolWeight> (1,473)
399.19494

>  <Cat> (1,473)
P3309

>  <Name> (1,473)
WAY-300442

>  <Synonyms> (1,473)
N/A

>  <Target> (1,473)
ATP-kinase

>  <Form> (1,473)
free base

>  <CAS> (1,473)
333773-08-3

>  <URL> (1,473)
N/A

$$$$
WAY-384934
csChFnd80/10202016042D

 30 33  0  0  0  0  0  0  0  0999 V2000
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    9.0625  -10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 20  1  0  0  0  0
 25 17  1  0  0  0  0
 26 18  2  0  0  0  0
 27 26  1  0  0  0  0
 28 23  1  0  0  0  0
 29 22  2  0  0  0  0
 30 28  2  0  0  0  0
  5  3  1  0  0  0  0
 27 19  2  0  0  0  0
 17 24  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,474)
1389

>  <Formula> (1,474)
C24H22N4O2

>  <MolWeight> (1,474)
398.45708

>  <Cat> (1,474)
P3420

>  <Name> (1,474)
WAY-384934

>  <Synonyms> (1,474)
N/A

>  <Target> (1,474)
pyruvate kinase

>  <Form> (1,474)
free base

>  <CAS> (1,474)
498568-75-5

>  <URL> (1,474)
N/A

$$$$
WAY-388796
csChFnd80/10202016042D

 15 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,475)
1390

>  <Formula> (1,475)
C11H11ClN2S

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238.73644

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P3421

>  <Name> (1,475)
WAY-388796

>  <Synonyms> (1,475)
N/A

>  <Target> (1,475)
PDE5,PARP-1,PDE4,LIMK1,c-Met

>  <Form> (1,475)
free base

>  <CAS> (1,475)
40106-58-9

>  <URL> (1,475)
N/A

$$$$
WAY-388798
csChFnd80/10202016042D

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>  <Mol_ID> (1,476)
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>  <Formula> (1,476)
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>  <Cat> (1,476)
P3422

>  <Name> (1,476)
WAY-388798

>  <Synonyms> (1,476)
N/A

>  <Target> (1,476)
GPR40,histone deacetylase,mGluR5 receptor

>  <Form> (1,476)
free base

>  <CAS> (1,476)
63417-81-2

>  <URL> (1,476)
N/A

$$$$
WAY-346940
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,477)
1392

>  <Formula> (1,477)
C15H11ClN4O2S

>  <MolWeight> (1,477)
346.79144

>  <Cat> (1,477)
P3391

>  <Name> (1,477)
WAY-346940

>  <Synonyms> (1,477)
N/A

>  <Target> (1,477)
Rho

>  <Form> (1,477)
free base

>  <CAS> (1,477)
392246-66-1

>  <URL> (1,477)
N/A

$$$$
WAY-347243
csChFnd80/10202016042D

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>  <Mol_ID> (1,478)
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>  <Formula> (1,478)
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>  <MolWeight> (1,478)
219.30602

>  <Cat> (1,478)
P3392

>  <Name> (1,478)
WAY-347243

>  <Synonyms> (1,478)
N/A

>  <Target> (1,478)
Anti-infection

>  <Form> (1,478)
free base

>  <CAS> (1,478)
422298-69-9

>  <URL> (1,478)
N/A

$$$$
WAY-347626
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,479)
1394

>  <Formula> (1,479)
C17H15N3O3

>  <MolWeight> (1,479)
309.3193

>  <Cat> (1,479)
P3393

>  <Name> (1,479)
WAY-347626

>  <Synonyms> (1,479)
N/A

>  <Target> (1,479)
CDK2

>  <Form> (1,479)
free base

>  <CAS> (1,479)
756843-31-9

>  <URL> (1,479)
N/A

$$$$
WAY-347806
csChFnd80/10202016042D

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1395

>  <Formula> (1,480)
C17H13FN2O4S

>  <MolWeight> (1,480)
360.3595232

>  <Cat> (1,480)
P3394

>  <Name> (1,480)
WAY-347806

>  <Synonyms> (1,480)
N/A

>  <Target> (1,480)
CK2,GSK3¦Â

>  <Form> (1,480)
free base

>  <CAS> (1,480)
757198-76-8

>  <URL> (1,480)
N/A

$$$$
WAY-348144
csChFnd80/10202016042D

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  2  1  2  0  0  0  0
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 11  7  2  0  0  0  0
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 14  6  1  0  0  0  0
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 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,481)
1396

>  <Formula> (1,481)
C17H14N4O2S

>  <MolWeight> (1,481)
338.38366

>  <Cat> (1,481)
P3395

>  <Name> (1,481)
WAY-348144

>  <Synonyms> (1,481)
N/A

>  <Target> (1,481)
Casein kinase 1¦Ä

>  <Form> (1,481)
free base

>  <CAS> (1,481)
764694-25-9

>  <URL> (1,481)
N/A

$$$$
WAY-349807
csChFnd80/10202016042D

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 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
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 29  9  1  0  0  0  0
 30 28  2  0  0  0  0
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M  END
>  <Mol_ID> (1,482)
1397

>  <Formula> (1,482)
C28H26ClN3O3

>  <MolWeight> (1,482)
487.97734

>  <Cat> (1,482)
P3397

>  <Name> (1,482)
WAY-349807

>  <Synonyms> (1,482)
N/A

>  <Target> (1,482)
Pim-1

>  <Form> (1,482)
free base

>  <CAS> (1,482)
544662-95-5

>  <URL> (1,482)
N/A

$$$$
WAY-349858
csChFnd80/10202016042D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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 13  6  2  0  0  0  0
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 15  6  1  0  0  0  0
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 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> (1,483)
1398

>  <Formula> (1,483)
C15H16N2O4S

>  <MolWeight> (1,483)
320.36354

>  <Cat> (1,483)
P3398

>  <Name> (1,483)
WAY-349858

>  <Synonyms> (1,483)
N/A

>  <Target> (1,483)
c-Jun N-terminal kinase

>  <Form> (1,483)
free base

>  <CAS> (1,483)
771503-50-5

>  <URL> (1,483)
N/A

$$$$
WAY-350732
csChFnd80/10202016042D

 19 20  0  0  0  0  0  0  0  0999 V2000
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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
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 18 13  2  0  0  0  0
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 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,484)
1399

>  <Formula> (1,484)
C13H11BrN2O2S

>  <MolWeight> (1,484)
339.20764

>  <Cat> (1,484)
P3399

>  <Name> (1,484)
WAY-350732

>  <Synonyms> (1,484)
N/A

>  <Target> (1,484)
c-Jun N-terminal kinase

>  <Form> (1,484)
free base

>  <CAS> (1,484)
438602-71-2

>  <URL> (1,484)
N/A

$$$$
WAY-351429
csChFnd80/10202016042D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 15  8  2  0  0  0  0
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 20 21  2  0  0  0  0
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M  END
>  <Mol_ID> (1,485)
1400

>  <Formula> (1,485)
C21H23N3O4

>  <MolWeight> (1,485)
381.42502

>  <Cat> (1,485)
P3400

>  <Name> (1,485)
WAY-351429

>  <Synonyms> (1,485)
N/A

>  <Target> (1,485)
choline kinase

>  <Form> (1,485)
free base

>  <CAS> (1,485)
451474-95-6

>  <URL> (1,485)
N/A

$$$$
WAY-351783
csChFnd80/10202016042D

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 13  1  2  0  0  0  0
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 15  4  1  0  0  0  0
 16  3  2  0  0  0  0
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 18  7  1  0  0  0  0
 19  4  2  0  0  0  0
 20 24  2  0  0  0  0
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 22 11  1  0  0  0  0
 23  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,486)
1401

>  <Formula> (1,486)
C21H21ClN4O3S

>  <MolWeight> (1,486)
444.93444

>  <Cat> (1,486)
P3401

>  <Name> (1,486)
WAY-351783

>  <Synonyms> (1,486)
N/A

>  <Target> (1,486)
creatin kinase

>  <Form> (1,486)
free base

>  <CAS> (1,486)
460994-47-2

>  <URL> (1,486)
N/A

$$$$
WAY-351812
csChFnd80/10202016042D

 25 26  0  0  0  0  0  0  0  0999 V2000
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  6  2  1  0  0  0  0
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 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 13 22  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  2  0  0  0  0
 17  1  1  0  0  0  0
 18  2  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  1  0  0  0  0
 23 24  1  0  0  0  0
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  6  5  1  0  0  0  0
  9 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,487)
1402

>  <Formula> (1,487)
C15H14F3N3O3S

>  <MolWeight> (1,487)
373.3501696

>  <Cat> (1,487)
P3402

>  <Name> (1,487)
WAY-351812

>  <Synonyms> (1,487)
N/A

>  <Target> (1,487)
CDK8

>  <Form> (1,487)
free base

>  <CAS> (1,487)
471289-61-9

>  <URL> (1,487)
N/A

$$$$
WAY-352098
csChFnd80/10202016042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,488)
1403

>  <Formula> (1,488)
C17H12F3N5O2S

>  <MolWeight> (1,488)
407.3696896

>  <Cat> (1,488)
P3403

>  <Name> (1,488)
WAY-352098

>  <Synonyms> (1,488)
N/A

>  <Target> (1,488)
PDK1,CRTH2

>  <Form> (1,488)
free base

>  <CAS> (1,488)
482643-39-0

>  <URL> (1,488)
N/A

$$$$
WAY-352753
csChFnd80/10202016042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,489)
1404

>  <Formula> (1,489)
C14H10ClN3OS

>  <MolWeight> (1,489)
303.7667

>  <Cat> (1,489)
P3404

>  <Name> (1,489)
WAY-352753

>  <Synonyms> (1,489)
N/A

>  <Target> (1,489)
GSK-3

>  <Form> (1,489)
free base

>  <CAS> (1,489)
478482-74-5

>  <URL> (1,489)
N/A

$$$$
WAY-353591
csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,490)
1405

>  <Formula> (1,490)
C16H12FN3S

>  <MolWeight> (1,490)
297.3499832

>  <Cat> (1,490)
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>  <Name> (1,490)
WAY-353591

>  <Synonyms> (1,490)
N/A

>  <Target> (1,490)
Casein kinase 1d

>  <Form> (1,490)
free base

>  <CAS> (1,490)
454427-09-9

>  <URL> (1,490)
N/A

$$$$
WAY-353890
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,491)
1406

>  <Formula> (1,491)
C17H13FN4O

>  <MolWeight> (1,491)
308.3097232

>  <Cat> (1,491)
P3407

>  <Name> (1,491)
WAY-353890

>  <Synonyms> (1,491)
N/A

>  <Target> (1,491)
FGFR1

>  <Form> (1,491)
free base

>  <CAS> (1,491)
459137-97-4

>  <URL> (1,491)
N/A

$$$$
WAY-354189
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,492)
1407

>  <Formula> (1,492)
C15H12Cl2N2O4S

>  <MolWeight> (1,492)
387.23778

>  <Cat> (1,492)
P3408

>  <Name> (1,492)
WAY-354189

>  <Synonyms> (1,492)
N/A

>  <Target> (1,492)
JAK-STAT

>  <Form> (1,492)
free base

>  <CAS> (1,492)
850019-35-1

>  <URL> (1,492)
N/A

$$$$
GI-570261
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,493)
1408

>  <Formula> (1,493)
C22H19N5O3S

>  <MolWeight> (1,493)
433.48296

>  <Cat> (1,493)
P3261

>  <Name> (1,493)
GI-570261

>  <Synonyms> (1,493)
N/A

>  <Target> (1,493)
LRP5/6-sclerostin interaction,phosphatidylin

>  <Form> (1,493)
free base

>  <CAS> (1,493)
301357-76-6

>  <URL> (1,493)
N/A

$$$$
WAY-352835
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,494)
1409

>  <Formula> (1,494)
C16H15N3OS

>  <MolWeight> (1,494)
297.3748

>  <Cat> (1,494)
P3405

>  <Name> (1,494)
WAY-352835

>  <Synonyms> (1,494)
N/A

>  <Target> (1,494)
tyrosine kinase

>  <Form> (1,494)
free base

>  <CAS> (1,494)
401638-52-6

>  <URL> (1,494)
N/A

$$$$
WAY-354831
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,495)
1410

>  <Formula> (1,495)
C15H10FN3O3

>  <MolWeight> (1,495)
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>  <Cat> (1,495)
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>  <Name> (1,495)
WAY-354831

>  <Synonyms> (1,495)
N/A

>  <Target> (1,495)
c-Met 

>  <Form> (1,495)
free base

>  <CAS> (1,495)
330572-32-2

>  <URL> (1,495)
N/A

$$$$
WAY-354890
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,496)
1411

>  <Formula> (1,496)
C17H16FN3S

>  <MolWeight> (1,496)
313.3924432

>  <Cat> (1,496)
P3410

>  <Name> (1,496)
WAY-354890

>  <Synonyms> (1,496)
N/A

>  <Target> (1,496)
EGFR 

>  <Form> (1,496)
free base

>  <CAS> (1,496)
852407-49-9

>  <URL> (1,496)
N/A

$$$$
WAY-355772
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,497)
1412

>  <Formula> (1,497)
C19H13F3N2O4S

>  <MolWeight> (1,497)
422.3777296

>  <Cat> (1,497)
P3411

>  <Name> (1,497)
WAY-355772

>  <Synonyms> (1,497)
N/A

>  <Target> (1,497)
serine/threonine kinase

>  <Form> (1,497)
free base

>  <CAS> (1,497)
442658-33-5

>  <URL> (1,497)
N/A

$$$$
WAY-357919
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,498)
1413

>  <Formula> (1,498)
C18H16N2O2S

>  <MolWeight> (1,498)
324.39684

>  <Cat> (1,498)
P3412

>  <Name> (1,498)
WAY-357919

>  <Synonyms> (1,498)
N/A

>  <Target> (1,498)
VEGFR

>  <Form> (1,498)
free base

>  <CAS> (1,498)
298207-77-9

>  <URL> (1,498)
N/A

$$$$
WAY-358024
csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,499)
1414

>  <Formula> (1,499)
C15H11N3O3

>  <MolWeight> (1,499)
281.26614

>  <Cat> (1,499)
P3413

>  <Name> (1,499)
WAY-358024

>  <Synonyms> (1,499)
N/A

>  <Target> (1,499)
GSK-3b

>  <Form> (1,499)
free base

>  <CAS> (1,499)
70169-39-0

>  <URL> (1,499)
N/A

$$$$
WAY-358667-A
csChFnd80/10202016042D

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  1  4  2  0  0  0  0
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  3  7  2  0  0  0  0
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  4  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,500)
1415

>  <Formula> (1,500)
C12H8N2S2

>  <MolWeight> (1,500)
244.33532

>  <Cat> (1,500)
P3414

>  <Name> (1,500)
WAY-358667-A

>  <Synonyms> (1,500)
N/A

>  <Target> (1,500)
Human protein kinase CK2

>  <Form> (1,500)
free base

>  <CAS> (1,500)
182198-89-6

>  <URL> (1,500)
N/A

$$$$
WAY-358981
csChFnd80/10202016042D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  7  5  1  0  0  0  0
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 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13 14  2  0  0  0  0
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 15 11  1  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  2  0  0  0  0
 19 17  2  0  0  0  0
  3  5  2  0  0  0  0
 13  9  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,501)
1416

>  <Formula> (1,501)
C14H12N4O

>  <MolWeight> (1,501)
252.27128

>  <Cat> (1,501)
P3415

>  <Name> (1,501)
WAY-358981

>  <Synonyms> (1,501)
N/A

>  <Target> (1,501)
sphingosine kinase

>  <Form> (1,501)
free base

>  <CAS> (1,501)
307322-32-3

>  <URL> (1,501)
N/A

$$$$
WAY-359594
csChFnd80/10202016042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  1  0  0  0  0
 13  2  1  0  0  0  0
 14 17  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20  7  2  0  0  0  0
 21  9  2  0  0  0  0
 22  8  2  0  0  0  0
 23 10  1  0  0  0  0
 24 19  1  0  0  0  0
 25 23  2  0  0  0  0
 26 24  1  0  0  0  0
 27 28  2  0  0  0  0
 28 22  1  0  0  0  0
 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> (1,502)
1417

>  <Formula> (1,502)
C23H21N3O2

>  <MolWeight> (1,502)
371.43174

>  <Cat> (1,502)
P3416

>  <Name> (1,502)
WAY-359594

>  <Synonyms> (1,502)
N/A

>  <Target> (1,502)
G protein coupled receptor 6 kinase

>  <Form> (1,502)
free base

>  <CAS> (1,502)
33495-39-5

>  <URL> (1,502)
N/A

$$$$
WAY-381785
csChFnd80/10202016042D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
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 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16 14  1  0  0  0  0
 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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 24 20  1  0  0  0  0
 10  9  2  0  0  0  0
  5  3  1  0  0  0  0
 13  7  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,503)
1418

>  <Formula> (1,503)
C20H23N3O

>  <MolWeight> (1,503)
321.41612

>  <Cat> (1,503)
P3417

>  <Name> (1,503)
WAY-381785

>  <Synonyms> (1,503)
N/A

>  <Target> (1,503)
GSK3

>  <Form> (1,503)
free base

>  <CAS> (1,503)
511239-29-5

>  <URL> (1,503)
N/A

$$$$
WAY-313201
csChFnd80/10202016042D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
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 10 15  1  0  0  0  0
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 14 17  2  0  0  0  0
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  7 10  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,504)
1419

>  <Formula> (1,504)
C12H12N2O3S

>  <MolWeight> (1,504)
264.30028

>  <Cat> (1,504)
P3320

>  <Name> (1,504)
WAY-313201

>  <Synonyms> (1,504)
N/A

>  <Target> (1,504)
 GSK-3b

>  <Form> (1,504)
free base

>  <CAS> (1,504)
571904-77-3

>  <URL> (1,504)
N/A

$$$$
WAY-311972
csChFnd80/10202016042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,505)
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WAY-311972

>  <Synonyms> (1,505)
N/A

>  <Target> (1,505)
ATP-kinases

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free base

>  <CAS> (1,505)
606948-76-9

>  <URL> (1,505)
N/A

$$$$
WAY-113178
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,506)
1421

>  <Formula> (1,506)
C21H17N3O3S

>  <MolWeight> (1,506)
391.44298

>  <Cat> (1,506)
P3263

>  <Name> (1,506)
WAY-113178

>  <Synonyms> (1,506)
N/A

>  <Target> (1,506)
IkB kinase-beta 

>  <Form> (1,506)
free base

>  <CAS> (1,506)
638999-98-1

>  <URL> (1,506)
N/A

$$$$
WAY-225588
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,507)
1422

>  <Formula> (1,507)
C17H15N3O

>  <MolWeight> (1,507)
277.3205

>  <Cat> (1,507)
P3267

>  <Name> (1,507)
WAY-225588

>  <Synonyms> (1,507)
N/A

>  <Target> (1,507)
GRK6

>  <Form> (1,507)
free base

>  <CAS> (1,507)
6765-52-2

>  <URL> (1,507)
N/A

$$$$
WAY-312602
csChFnd80/10202016042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,508)
1423

>  <Formula> (1,508)
C17H17N5O3

>  <MolWeight> (1,508)
339.34858

>  <Cat> (1,508)
P3318

>  <Name> (1,508)
WAY-312602

>  <Synonyms> (1,508)
N/A

>  <Target> (1,508)
maternal embryonic leucine zipper kinase

>  <Form> (1,508)
free base

>  <CAS> (1,508)
681266-13-7

>  <URL> (1,508)
N/A

$$$$
WAY-344977
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,509)
1424

>  <Formula> (1,509)
C17H17ClN4O2S

>  <MolWeight> (1,509)
376.86048

>  <Cat> (1,509)
P3389

>  <Name> (1,509)
WAY-344977

>  <Synonyms> (1,509)
N/A

>  <Target> (1,509)
GSK-3

>  <Form> (1,509)
free base

>  <CAS> (1,509)
686743-57-7

>  <URL> (1,509)
N/A

$$$$
WAY-310507
csChFnd80/10202016042D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
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WAY-310507

>  <Synonyms> (1,510)
N/A

>  <Target> (1,510)
Anti-infection

>  <Form> (1,510)
free base

>  <CAS> (1,510)
686743-93-1

>  <URL> (1,510)
N/A

$$$$
WAY-310944
csChFnd80/10202016042D

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>  <Mol_ID> (1,511)
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>  <Name> (1,511)
WAY-310944

>  <Synonyms> (1,511)
N/A

>  <Target> (1,511)
Anti-infection

>  <Form> (1,511)
free base

>  <CAS> (1,511)
688335-53-7

>  <URL> (1,511)
N/A

$$$$
WAY-310334
csChFnd80/10202016042D

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>  <Mol_ID> (1,512)
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>  <Formula> (1,512)
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>  <MolWeight> (1,512)
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P3310

>  <Name> (1,512)
WAY-310334

>  <Synonyms> (1,512)
N/A

>  <Target> (1,512)
mPGES-1,human protein kinase CK2

>  <Form> (1,512)
free base

>  <CAS> (1,512)
688335-72-0

>  <URL> (1,512)
N/A

$$$$
WAY-310819
csChFnd80/10202016042D

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1428

>  <Formula> (1,513)
C15H14BrN5O3S

>  <MolWeight> (1,513)
424.27236

>  <Cat> (1,513)
P3312

>  <Name> (1,513)
WAY-310819

>  <Synonyms> (1,513)
N/A

>  <Target> (1,513)
B-Raf

>  <Form> (1,513)
free base

>  <CAS> (1,513)
326918-98-3

>  <URL> (1,513)
N/A

$$$$
CL-59089
csChFnd80/10202016042D

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>  <Formula> (1,514)
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>  <MolWeight> (1,514)
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>  <Cat> (1,514)
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>  <Name> (1,514)
CL-59089

>  <Synonyms> (1,514)
N/A

>  <Target> (1,514)
sirtuin,Rho,CDK

>  <Form> (1,514)
free base

>  <CAS> (1,514)
3008-61-5

>  <URL> (1,514)
N/A

$$$$
WAY-616312
csChFnd80/10202016042D

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>  <Formula> (1,515)
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>  <MolWeight> (1,515)
423.25004

>  <Cat> (1,515)
P3454

>  <Name> (1,515)
WAY-616312

>  <Synonyms> (1,515)
N/A

>  <Target> (1,515)
sirtuin,Rho,CDK

>  <Form> (1,515)
free base

>  <CAS> (1,515)
730946-98-2

>  <URL> (1,515)
N/A

$$$$
WAY-624687
csChFnd80/10202016042D

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 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  1  0  0  0  0
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 20 12  2  0  0  0  0
  5  6  1  0  0  0  0
 11  7  1  0  0  0  0
 15 17  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,516)
1431

>  <Formula> (1,516)
C13H9N5S2

>  <MolWeight> (1,516)
299.37406

>  <Cat> (1,516)
P3465

>  <Name> (1,516)
WAY-624687

>  <Synonyms> (1,516)
N/A

>  <Target> (1,516)
GSK3

>  <Form> (1,516)
free base

>  <CAS> (1,516)
753473-65-3

>  <URL> (1,516)
N/A

$$$$
WAY-330162
csChFnd80/10202016042D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  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
 29 27  1  0  0  0  0
 30 25  1  0  0  0  0
  4  8  1  0  0  0  0
  9  7  2  0  0  0  0
 29 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,517)
1432

>  <Formula> (1,517)
C22H26N2O5S

>  <MolWeight> (1,517)
430.51724

>  <Cat> (1,517)
P3377

>  <Name> (1,517)
WAY-330162

>  <Synonyms> (1,517)
N/A

>  <Target> (1,517)
Kinase

>  <Form> (1,517)
free base

>  <CAS> (1,517)
868963-46-6

>  <URL> (1,517)
N/A

$$$$
WAY-333883
csChFnd80/10202016042D

 23 25  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  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> (1,518)
1433

>  <Formula> (1,518)
C16H16Cl2N4O

>  <MolWeight> (1,518)
351.23044

>  <Cat> (1,518)
P3382

>  <Name> (1,518)
WAY-333883

>  <Synonyms> (1,518)
N/A

>  <Target> (1,518)
pyruvate kinase

>  <Form> (1,518)
free base

>  <CAS> (1,518)
863448-35-5

>  <URL> (1,518)
N/A

$$$$
WAY-333875
csChFnd80/10202016042D

 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
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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  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> (1,519)
1434

>  <Formula> (1,519)
C16H16ClFN4O

>  <MolWeight> (1,519)
334.7758432

>  <Cat> (1,519)
P3380

>  <Name> (1,519)
WAY-333875

>  <Synonyms> (1,519)
N/A

>  <Target> (1,519)
pyruvate kinase

>  <Form> (1,519)
free base

>  <CAS> (1,519)
863448-22-0

>  <URL> (1,519)
N/A

$$$$
WAY-333878
csChFnd80/10202016042D

 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
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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> (1,520)
1435

>  <Formula> (1,520)
C18H22N4O

>  <MolWeight> (1,520)
310.39348

>  <Cat> (1,520)
P3381

>  <Name> (1,520)
WAY-333878

>  <Synonyms> (1,520)
N/A

>  <Target> (1,520)
pyruvate kinase

>  <Form> (1,520)
free base

>  <CAS> (1,520)
863448-25-3

>  <URL> (1,520)
N/A

$$$$
WAY-329412
csChFnd80/10202016042D

 33 37  0  0  0  0  0  0  0  0999 V2000
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   13.4000  -11.1125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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439.5057

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>  <Synonyms> (1,521)
N/A

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Abl

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free base

>  <CAS> (1,521)
943932-69-2

>  <URL> (1,521)
N/A

$$$$
WAY-329689
csChFnd80/10202016042D

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1437

>  <Formula> (1,522)
C29H29N3O4

>  <MolWeight> (1,522)
483.55826

>  <Cat> (1,522)
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>  <Name> (1,522)
WAY-329689

>  <Synonyms> (1,522)
N/A

>  <Target> (1,522)
Abl

>  <Form> (1,522)
free base

>  <CAS> (1,522)
943934-76-7

>  <URL> (1,522)
N/A

$$$$
WAY-329424
csChFnd80/10202016042D

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>  <Formula> (1,523)
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>  <MolWeight> (1,523)
405.48948

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WAY-329424

>  <Synonyms> (1,523)
N/A

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Abl

>  <Form> (1,523)
free base

>  <CAS> (1,523)
943933-52-6

>  <URL> (1,523)
N/A

$$$$
WAY-329686
csChFnd80/10202016042D

 31 34  0  0  0  0  0  0  0  0999 V2000
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1439

>  <Formula> (1,524)
C25H29N3O3

>  <MolWeight> (1,524)
419.51606

>  <Cat> (1,524)
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>  <Name> (1,524)
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>  <Synonyms> (1,524)
N/A

>  <Target> (1,524)
Abl

>  <Form> (1,524)
free base

>  <CAS> (1,524)
943934-31-4

>  <URL> (1,524)
N/A

$$$$
WAY-329410
csChFnd80/10202016042D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
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1440

>  <Formula> (1,525)
C26H23N3O3

>  <MolWeight> (1,525)
425.47912

>  <Cat> (1,525)
P3364

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>  <Synonyms> (1,525)
N/A

>  <Target> (1,525)
Abl

>  <Form> (1,525)
free base

>  <CAS> (1,525)
943932-62-5

>  <URL> (1,525)
N/A

$$$$
WAY-329685
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,526)
1441

>  <Formula> (1,526)
C28H27N3O4

>  <MolWeight> (1,526)
469.53168

>  <Cat> (1,526)
P3374

>  <Name> (1,526)
WAY-329685

>  <Synonyms> (1,526)
N/A

>  <Target> (1,526)
Abl

>  <Form> (1,526)
free base

>  <CAS> (1,526)
943934-25-6

>  <URL> (1,526)
N/A

$$$$
WAY-329423
csChFnd80/10202016042D

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M  END
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1442

>  <Formula> (1,527)
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>  <MolWeight> (1,527)
389.49008

>  <Cat> (1,527)
P3366

>  <Name> (1,527)
WAY-329423

>  <Synonyms> (1,527)
N/A

>  <Target> (1,527)
Abl

>  <Form> (1,527)
free base

>  <CAS> (1,527)
943933-49-1

>  <URL> (1,527)
N/A

$$$$
WAY-329356
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,528)
1443

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N/A

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WAY-329341
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Abl

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free base

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943931-29-1

>  <URL> (1,529)
N/A

$$$$
WAY-329340
csChFnd80/10202016042D

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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> (1,530)
N/A

$$$$
WAY-641918
csChFnd80/10202016042D

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WAY-641918

>  <Synonyms> (1,531)
N/A

>  <Target> (1,531)
TAO kinase

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free base

>  <CAS> (1,531)
850467-77-5

>  <URL> (1,531)
N/A

$$$$
WAY-278459-A
csChFnd80/10202016042D

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>  <Formula> (1,532)
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>  <Synonyms> (1,532)
N/A

>  <Target> (1,532)
Plasmodium falciparum Apical Membrane Antige

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free base

>  <CAS> (1,532)
105512-88-7

>  <URL> (1,532)
N/A

$$$$
WAY-643895
csChFnd80/10202016042D

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  6  1  1  0  0  0  0
  7  5  3  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  2  0  0  0  0
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 14 10  1  0  0  0  0
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 16 14  2  0  0  0  0
  8  9  2  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,533)
1448

>  <Formula> (1,533)
C11H7N3OS

>  <MolWeight> (1,533)
229.25778

>  <Cat> (1,533)
P3503

>  <Name> (1,533)
WAY-643895

>  <Synonyms> (1,533)
N/A

>  <Target> (1,533)
Casein kinase 1¦Ä

>  <Form> (1,533)
free base

>  <CAS> (1,533)
851871-94-8

>  <URL> (1,533)
N/A

$$$$
WAY-278559-A
csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,534)
1449

>  <Formula> (1,534)
C17H23N3O

>  <MolWeight> (1,534)
285.38402

>  <Cat> (1,534)
P3294

>  <Name> (1,534)
WAY-278559-A

>  <Synonyms> (1,534)
N/A

>  <Target> (1,534)
ethanolamine kinase

>  <Form> (1,534)
free base

>  <CAS> (1,534)
301330-81-4

>  <URL> (1,534)
N/A

$$$$
WAY-642481
csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
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 18  6  1  0  0  0  0
 19 13  1  0  0  0  0
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 21 20  1  0  0  0  0
  6  4  1  0  0  0  0
 18 21  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,535)
1450

>  <Formula> (1,535)
C17H16N2OS

>  <MolWeight> (1,535)
296.38674

>  <Cat> (1,535)
P3501

>  <Name> (1,535)
WAY-642481

>  <Synonyms> (1,535)
N/A

>  <Target> (1,535)
CDK

>  <Form> (1,535)
free base

>  <CAS> (1,535)
22312-45-4

>  <URL> (1,535)
N/A

$$$$
WAY-643632-A
csChFnd80/10202016042D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  2  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6  2  2  0  0  0  0
M  END
>  <Mol_ID> (1,536)
1451

>  <Formula> (1,536)
C11H14N2O2

>  <MolWeight> (1,536)
206.24106

>  <Cat> (1,536)
P3502

>  <Name> (1,536)
WAY-643632-A

>  <Synonyms> (1,536)
N/A

>  <Target> (1,536)
SRC kinase,TTX-S channel

>  <Form> (1,536)
free base

>  <CAS> (1,536)
500356-88-7

>  <URL> (1,536)
N/A

$$$$
WAY-616763
csChFnd80/10202016042D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  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
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 16  8  2  0  0  0  0
 17 18  1  0  0  0  0
 18  8  1  0  0  0  0
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 20  7  2  0  0  0  0
 21 24  2  0  0  0  0
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 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> (1,537)
1452

>  <Formula> (1,537)
C18H15Cl2N3O4S

>  <MolWeight> (1,537)
440.3004

>  <Cat> (1,537)
P3456

>  <Name> (1,537)
WAY-616763

>  <Synonyms> (1,537)
N/A

>  <Target> (1,537)
Anti-infection

>  <Form> (1,537)
free base

>  <CAS> (1,537)
735303-62-5

>  <URL> (1,537)
N/A

$$$$
WAY-641966
csChFnd80/10202016042D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  9 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,538)
1453

>  <Formula> (1,538)
C20H16N4

>  <MolWeight> (1,538)
312.36784

>  <Cat> (1,538)
P3499

>  <Name> (1,538)
WAY-641966

>  <Synonyms> (1,538)
N/A

>  <Target> (1,538)
TGF-¦Â,p38-¦Á

>  <Form> (1,538)
free base

>  <CAS> (1,538)
259870-32-1

>  <URL> (1,538)
N/A

$$$$
WAY-642424
csChFnd80/10202016042D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0  0  0  0
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 19  8  2  0  0  0  0
 20 22  2  0  0  0  0
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  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> (1,539)
1454

>  <Formula> (1,539)
C19H14FN5OS

>  <MolWeight> (1,539)
379.4107632

>  <Cat> (1,539)
P3500

>  <Name> (1,539)
WAY-642424

>  <Synonyms> (1,539)
N/A

>  <Target> (1,539)
Casein kinase 1¦Ä

>  <Form> (1,539)
free base

>  <CAS> (1,539)
851396-73-1

>  <URL> (1,539)
N/A

$$$$
WAY-329592
csChFnd80/10202016042D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  7  4  1  0  0  0  0
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 10 12  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  0  0  0  0
 15 10  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18  8  2  0  0  0  0
 19 15  1  0  0  0  0
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 21 24  1  0  0  0  0
 22  7  2  0  0  0  0
 23 10  2  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 26 18  1  0  0  0  0
 27  6  1  0  0  0  0
 28  7  1  0  0  0  0
 29 17  1  0  0  0  0
 30 21  1  0  0  0  0
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 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,540)
1455

>  <Formula> (1,540)
C22H25BrN2O4S

>  <MolWeight> (1,540)
493.4139

>  <Cat> (1,540)
P3368

>  <Name> (1,540)
WAY-329592

>  <Synonyms> (1,540)
N/A

>  <Target> (1,540)
tyrosine kinase

>  <Form> (1,540)
free base

>  <CAS> (1,540)
868963-53-5

>  <URL> (1,540)
N/A

$$$$
WAY-333939
csChFnd80/10202016042D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  1  0  0  0  0
 23 20  1  0  0  0  0
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 26 24  1  0  0  0  0
  4  3  1  0  0  0  0
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 20 18  2  0  0  0  0
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M  END
>  <Mol_ID> (1,541)
1456

>  <Formula> (1,541)
C19H21N5O2

>  <MolWeight> (1,541)
351.40234

>  <Cat> (1,541)
P3384

>  <Name> (1,541)
WAY-333939

>  <Synonyms> (1,541)
N/A

>  <Target> (1,541)
Anti-infection

>  <Form> (1,541)
free base

>  <CAS> (1,541)
689268-14-2

>  <URL> (1,541)
N/A

$$$$
WAY-333908
csChFnd80/10202016042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  2  0  0  0  0
 14 10  2  0  0  0  0
 15 17  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
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  4  3  1  0  0  0  0
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 25 24  2  0  0  0  0
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M  END
>  <Mol_ID> (1,542)
1457

>  <Formula> (1,542)
C17H12N6O2

>  <MolWeight> (1,542)
332.31618

>  <Cat> (1,542)
P3383

>  <Name> (1,542)
WAY-333908

>  <Synonyms> (1,542)
N/A

>  <Target> (1,542)
others

>  <Form> (1,542)
free base

>  <CAS> (1,542)
689269-24-7

>  <URL> (1,542)
N/A

$$$$
WAY-333945
csChFnd80/10202016042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,543)
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>  <Formula> (1,543)
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>  <Name> (1,543)
WAY-333945

>  <Synonyms> (1,543)
N/A

>  <Target> (1,543)
Anti-infection

>  <Form> (1,543)
free base

>  <CAS> (1,543)
689273-45-8

>  <URL> (1,543)
N/A

$$$$
WAY-616584
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,544)
1459

>  <Formula> (1,544)
C16H13N3O2S

>  <MolWeight> (1,544)
311.35832

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P3455

>  <Name> (1,544)
WAY-616584

>  <Synonyms> (1,544)
N/A

>  <Target> (1,544)
Casein kinase 1¦Ä

>  <Form> (1,544)
free base

>  <CAS> (1,544)
695223-53-1

>  <URL> (1,544)
N/A

$$$$
WAY-625530
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,545)
1460

>  <Formula> (1,545)
C22H18ClFN2O3

>  <MolWeight> (1,545)
412.8413232

>  <Cat> (1,545)
P3466

>  <Name> (1,545)
WAY-625530

>  <Synonyms> (1,545)
N/A

>  <Target> (1,545)
FGFR1

>  <Form> (1,545)
free base

>  <CAS> (1,545)
956782-57-3

>  <URL> (1,545)
N/A

$$$$
WAY-625741
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,546)
1461

>  <Formula> (1,546)
C16H13N3O4S

>  <MolWeight> (1,546)
343.35712

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P3467

>  <Name> (1,546)
WAY-625741

>  <Synonyms> (1,546)
N/A

>  <Target> (1,546)
Casein kinase 1d

>  <Form> (1,546)
free base

>  <CAS> (1,546)
756857-71-3

>  <URL> (1,546)
N/A

$$$$
WAY-626116
csChFnd80/10202016042D

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>  <Mol_ID> (1,547)
1462

>  <Formula> (1,547)
C20H14FN3O4S2

>  <MolWeight> (1,547)
443.4712632

>  <Cat> (1,547)
P3468

>  <Name> (1,547)
WAY-626116

>  <Synonyms> (1,547)
N/A

>  <Target> (1,547)
Casein kinase 1d

>  <Form> (1,547)
free base

>  <CAS> (1,547)
753468-25-6

>  <URL> (1,547)
N/A

$$$$
WAY-273170
csChFnd80/10202016042D

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>  <Mol_ID> (1,548)
1463

>  <Formula> (1,548)
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>  <MolWeight> (1,548)
396.85012

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>  <Name> (1,548)
WAY-273170

>  <Synonyms> (1,548)
N/A

>  <Target> (1,548)
Myt1

>  <Form> (1,548)
free base

>  <CAS> (1,548)
478247-52-8

>  <URL> (1,548)
N/A

$$$$
WAY-277054
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,549)
1464

>  <Formula> (1,549)
C16H11ClFN3OS2

>  <MolWeight> (1,549)
379.8594432

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P3290

>  <Name> (1,549)
WAY-277054

>  <Synonyms> (1,549)
N/A

>  <Target> (1,549)
tyrosine kinase

>  <Form> (1,549)
free base

>  <CAS> (1,549)
753467-39-9?

>  <URL> (1,549)
N/A

$$$$
WAY-336715
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,550)
1465

>  <Formula> (1,550)
C21H20N4OS

>  <MolWeight> (1,550)
376.4747

>  <Cat> (1,550)
P3386

>  <Name> (1,550)
WAY-336715

>  <Synonyms> (1,550)
N/A

>  <Target> (1,550)
CDK8

>  <Form> (1,550)
free base

>  <CAS> (1,550)
451458-32-5

>  <URL> (1,550)
N/A

$$$$
WAY-337647
csChFnd80/10202016042D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,551)
1466

>  <Formula> (1,551)
C15H12ClNO4

>  <MolWeight> (1,551)
305.71308

>  <Cat> (1,551)
P3387

>  <Name> (1,551)
WAY-337647

>  <Synonyms> (1,551)
N/A

>  <Target> (1,551)
f mitogen-activated protein kinase kinase 4

>  <Form> (1,551)
free base

>  <CAS> (1,551)
1402605-80-4

>  <URL> (1,551)
N/A

$$$$
WAY-612453
csChFnd80/10202016042D

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>  <Mol_ID> (1,552)
1467

>  <Formula> (1,552)
C9H8Cl2N4S

>  <MolWeight> (1,552)
275.15762

>  <Cat> (1,552)
P3446

>  <Name> (1,552)
WAY-612453

>  <Synonyms> (1,552)
N/A

>  <Target> (1,552)
Anti-infection

>  <Form> (1,552)
free base

>  <CAS> (1,552)
300809-10-3

>  <URL> (1,552)
N/A

$$$$
WAY-612622
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,553)
1468

>  <Formula> (1,553)
C16H11FN2O2

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282.2691432

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>  <Name> (1,553)
WAY-612622

>  <Synonyms> (1,553)
N/A

>  <Target> (1,553)
CDK

>  <Form> (1,553)
free base

>  <CAS> (1,553)
288401-60-5

>  <URL> (1,553)
N/A

$$$$
WAY-612698
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,554)
1469

>  <Formula> (1,554)
C17H19NO4S

>  <MolWeight> (1,554)
333.40206

>  <Cat> (1,554)
P3448

>  <Name> (1,554)
WAY-612698

>  <Synonyms> (1,554)
N/A

>  <Target> (1,554)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,554)
free base

>  <CAS> (1,554)
565191-45-9

>  <URL> (1,554)
N/A

$$$$
WAY-612763
csChFnd80/10202016042D

 33 35  0  0  0  0  0  0  0  0999 V2000
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 16  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,555)
1470

>  <Formula> (1,555)
C21H15ClF3N3O5

>  <MolWeight> (1,555)
481.8091096

>  <Cat> (1,555)
P3449

>  <Name> (1,555)
WAY-612763

>  <Synonyms> (1,555)
N/A

>  <Target> (1,555)
YycG histidine kinase

>  <Form> (1,555)
free base

>  <CAS> (1,555)
479060-67-8

>  <URL> (1,555)
N/A

$$$$
WAY-630308
csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,556)
1471

>  <Formula> (1,556)
C16H21N3O3

>  <MolWeight> (1,556)
303.35624

>  <Cat> (1,556)
P3469

>  <Name> (1,556)
WAY-630308

>  <Synonyms> (1,556)
N/A

>  <Target> (1,556)
Casein kinase 1¦Ä

>  <Form> (1,556)
free base

>  <CAS> (1,556)
326034-30-4

>  <URL> (1,556)
N/A

$$$$
WAY-630363
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,557)
1472

>  <Formula> (1,557)
C19H15N3O3S

>  <MolWeight> (1,557)
365.4057

>  <Cat> (1,557)
P3470

>  <Name> (1,557)
WAY-630363

>  <Synonyms> (1,557)
N/A

>  <Target> (1,557)
Casein kinase 1¦Ä

>  <Form> (1,557)
free base

>  <CAS> (1,557)
729579-66-2

>  <URL> (1,557)
N/A

$$$$
WAY-647361
csChFnd80/10202016042D

 14 15  0  0  0  0  0  0  0  0999 V2000
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 PI3K

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free base

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852399-94-1

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N/A

$$$$
WAY-647636
csChFnd80/10202016042D

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WAY-647636

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N/A

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Casein kinase 1¦Ä

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free base

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556055-08-4

>  <URL> (1,559)
N/A

$$$$
WAY-647729
csChFnd80/10202016042D

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>  <Name> (1,560)
WAY-647729

>  <Synonyms> (1,560)
N/A

>  <Target> (1,560)
CDK

>  <Form> (1,560)
free base

>  <CAS> (1,560)
852678-17-2

>  <URL> (1,560)
N/A

$$$$
WAY-647766
csChFnd80/10202016042D

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1476

>  <Formula> (1,561)
C16H12N6S

>  <MolWeight> (1,561)
320.37168

>  <Cat> (1,561)
P3507

>  <Name> (1,561)
WAY-647766

>  <Synonyms> (1,561)
N/A

>  <Target> (1,561)
Casein kinase 1¦Ä

>  <Form> (1,561)
free base

>  <CAS> (1,561)
851168-98-4

>  <URL> (1,561)
N/A

$$$$
WAY-647802
csChFnd80/10202016042D

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>  <Formula> (1,562)
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WAY-647802

>  <Synonyms> (1,562)
N/A

>  <Target> (1,562)
EGFR,CDK4 and 6

>  <Form> (1,562)
free base

>  <CAS> (1,562)
852225-20-8

>  <URL> (1,562)
N/A

$$$$
WAY-648936
csChFnd80/10202016042D

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WL-300778
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WAY-332616
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 10  7  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,569)
1569

>  <Formula> (1,569)
C16H15NO3S

>  <MolWeight> (1,569)
301.3602

>  <Cat> (1,569)
P3708

>  <Name> (1,569)
WAY-332616

>  <Synonyms> (1,569)
N/A

>  <Target> (1,569)
pyruvate kinase

>  <Form> (1,569)
free base

>  <CAS> (1,569)
904457-46-1

>  <URL> (1,569)
N/A

$$$$
WAY-332647
csChFnd80/10202016042D

 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
  3  4  1  0  0  0  0
 10  7  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,570)
1570

>  <Formula> (1,570)
C19H21NO3S

>  <MolWeight> (1,570)
343.43994

>  <Cat> (1,570)
P3767

>  <Name> (1,570)
WAY-332647

>  <Synonyms> (1,570)
N/A

>  <Target> (1,570)
pyruvate kinase

>  <Form> (1,570)
free base

>  <CAS> (1,570)
902516-53-4

>  <URL> (1,570)
N/A

$$$$
WAY-624704
csChFnd80/10202016042D

 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
 12 11  1  0  0  0  0
 13 17  2  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> (1,571)
1571

>  <Formula> (1,571)
C17H15N3O2S

>  <MolWeight> (1,571)
325.3849

>  <Cat> (1,571)
P3766

>  <Name> (1,571)
WAY-624704

>  <Synonyms> (1,571)
N/A

>  <Target> (1,571)
ROCK

>  <Form> (1,571)
free base

>  <CAS> (1,571)
692869-38-8

>  <URL> (1,571)
N/A

$$$$
WAY-625135
csChFnd80/10202016042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  2  0  0  0  0
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  9  3  1  0  0  0  0
 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
 19 17  1  0  0  0  0
 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> (1,572)
1572

>  <Formula> (1,572)
C14H12N2O3S

>  <MolWeight> (1,572)
288.32168

>  <Cat> (1,572)
P3707

>  <Name> (1,572)
WAY-625135

>  <Synonyms> (1,572)
N/A

>  <Target> (1,572)
Casein kinase 1¦Ä

>  <Form> (1,572)
free base

>  <CAS> (1,572)
756865-45-9

>  <URL> (1,572)
N/A

$$$$
WAY-626309
csChFnd80/10202016042D

 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
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16  4  1  0  0  0  0
 17 12  1  0  0  0  0
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 20 13  1  0  0  0  0
 21 13  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
  8  7  2  0  0  0  0
  9 14  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,573)
1573

>  <Formula> (1,573)
C19H16N2O2S

>  <MolWeight> (1,573)
336.40754

>  <Cat> (1,573)
P3765

>  <Name> (1,573)
WAY-626309

>  <Synonyms> (1,573)
N/A

>  <Target> (1,573)
c-Jun N-terminal kinase

>  <Form> (1,573)
free base

>  <CAS> (1,573)
756849-36-2

>  <URL> (1,573)
N/A

$$$$
WAY-646458
csChFnd80/10202016042D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,574)
1574

>  <Formula> (1,574)
C16H10N2O2

>  <MolWeight> (1,574)
262.2628

>  <Cat> (1,574)
P3706

>  <Name> (1,574)
WAY-646458

>  <Synonyms> (1,574)
N/A

>  <Target> (1,574)
Casein kinase 1d

>  <Form> (1,574)
free base

>  <CAS> (1,574)
852413-92-4

>  <URL> (1,574)
N/A

$$$$
WAY-313318
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,575)
1575

>  <Formula> (1,575)
C13H10Cl2N4

>  <MolWeight> (1,575)
293.1513

>  <Cat> (1,575)
P3734

>  <Name> (1,575)
WAY-313318

>  <Synonyms> (1,575)
N/A

>  <Target> (1,575)
RSK2

>  <Form> (1,575)
free base

>  <CAS> (1,575)
351993-88-9

>  <URL> (1,575)
N/A

$$$$
WAY-239448
csChFnd80/10202016042D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,576)
1576

>  <Formula> (1,576)
C11H12N2S2

>  <MolWeight> (1,576)
236.35638

>  <Cat> (1,576)
P3683

>  <Name> (1,576)
WAY-239448

>  <Synonyms> (1,576)
N/A

>  <Target> (1,576)
CK2,Anti-infection

>  <Form> (1,576)
free base

>  <CAS> (1,576)
314260-78-1

>  <URL> (1,576)
N/A

$$$$
WAY-299562
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,577)
1577

>  <Formula> (1,577)
C16H13NO3

>  <MolWeight> (1,577)
267.27932

>  <Cat> (1,577)
P3698

>  <Name> (1,577)
WAY-299562

>  <Synonyms> (1,577)
N/A

>  <Target> (1,577)
PKA,AKAP

>  <Form> (1,577)
free base

>  <CAS> (1,577)
299934-88-6

>  <URL> (1,577)
N/A

$$$$
WAY-300507
csChFnd80/10202016042D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  3  4  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
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 13  1  1  0  0  0  0
 14  9  2  0  0  0  0
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 16  7  2  0  0  0  0
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 20  9  1  0  0  0  0
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  3  5  1  0  0  0  0
 14 21  1  0  0  0  0
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M  END
>  <Mol_ID> (1,578)
1578

>  <Formula> (1,578)
C18H15NO3S2

>  <MolWeight> (1,578)
357.4466

>  <Cat> (1,578)
P3774

>  <Name> (1,578)
WAY-300507

>  <Synonyms> (1,578)
N/A

>  <Target> (1,578)
beta-catenin,MKK4

>  <Form> (1,578)
free base

>  <CAS> (1,578)
301688-74-4

>  <URL> (1,578)
N/A

$$$$
WAY-301524-A
csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,579)
1579

>  <Formula> (1,579)
C15H13N3O2S

>  <MolWeight> (1,579)
299.34762

>  <Cat> (1,579)
P3725

>  <Name> (1,579)
WAY-301524-A

>  <Synonyms> (1,579)
N/A

>  <Target> (1,579)
CK2

>  <Form> (1,579)
free base

>  <CAS> (1,579)
474263-21-3

>  <URL> (1,579)
N/A

$$$$
WAY-301527
csChFnd80/10202016042D

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315682-22-5

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N/A

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WAY-388756
csChFnd80/10202016042D

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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
csChFnd80/10202016042D

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LIMK1

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free base

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332904-10-6

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N/A

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WAY-297152
csChFnd80/10202016042D

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N/A

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WAY-297174
csChFnd80/10202016042D

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free base

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442571-27-9

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N/A

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WAY-297674
csChFnd80/10202016042D

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N/A

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WAY-298630
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M  END
>  <Mol_ID> (1,586)
1586

>  <Formula> (1,586)
C17H15FN2O3S

>  <MolWeight> (1,586)
346.3760032

>  <Cat> (1,586)
P3754

>  <Name> (1,586)
WAY-298630

>  <Synonyms> (1,586)
N/A

>  <Target> (1,586)
PDK1

>  <Form> (1,586)
free base

>  <CAS> (1,586)
303134-93-2

>  <URL> (1,586)
N/A

$$$$
WAY-299017
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,587)
1587

>  <Formula> (1,587)
C17H14N2O3

>  <MolWeight> (1,587)
294.30466

>  <Cat> (1,587)
P3730

>  <Name> (1,587)
WAY-299017

>  <Synonyms> (1,587)
N/A

>  <Target> (1,587)
PI3Ka

>  <Form> (1,587)
free base

>  <CAS> (1,587)
300803-79-6

>  <URL> (1,587)
N/A

$$$$
WAY-299359
csChFnd80/10202016042D

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M  END
>  <Mol_ID> (1,588)
1588

>  <Formula> (1,588)
C14H18N2O3S

>  <MolWeight> (1,588)
294.36932

>  <Cat> (1,588)
P3729

>  <Name> (1,588)
WAY-299359

>  <Synonyms> (1,588)
N/A

>  <Target> (1,588)
FLT3, Tubulin

>  <Form> (1,588)
free base

>  <CAS> (1,588)
1005057-81-7

>  <URL> (1,588)
N/A

$$$$
WAY-117443
csChFnd80/10202016042D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,589)
1589

>  <Formula> (1,589)
C19H18O5

>  <MolWeight> (1,589)
326.34322

>  <Cat> (1,589)
P3752

>  <Name> (1,589)
WAY-117443

>  <Synonyms> (1,589)
N/A

>  <Target> (1,589)
GRK6,DOPA decarboxylase

>  <Form> (1,589)
free base

>  <CAS> (1,589)
1164562-43-9

>  <URL> (1,589)
N/A

$$$$
WAY-304191
csChFnd80/10202016042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,590)
1590

>  <Formula> (1,590)
C18H25NO2

>  <MolWeight> (1,590)
287.3966

>  <Cat> (1,590)
P3745

>  <Name> (1,590)
WAY-304191

>  <Synonyms> (1,590)
N/A

>  <Target> (1,590)
FLT3 receptor

>  <Form> (1,590)
free base

>  <CAS> (1,590)
510724-22-8

>  <URL> (1,590)
N/A

$$$$
WAY-226683
csChFnd80/10202016042D

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N/A

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WAY-306955
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p38a MAPK

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free base

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315703-48-1

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N/A

$$$$
WAY-352121
csChFnd80/10202016042D

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FLT3, Tubulin

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free base

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484677-02-3

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N/A

$$$$
WAY-380153
csChFnd80/10202016042D

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363160-12-7

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N/A

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WAY-311474
csChFnd80/10202016042D

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MtSk

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569313-77-5

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N/A

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WAY-312858
csChFnd80/10202016042D

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620570-09-4

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N/A

$$$$
WAY-278705
csChFnd80/10202016042D

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332939-29-4

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N/A

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WAY-337532
csChFnd80/10202016042D

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CLK-1

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free base

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332939-49-8

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N/A

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WAY-628644
csChFnd80/10202016042D

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377760-40-2

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N/A

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WAY-270250
csChFnd80/10202016042D

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852367-46-5

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N/A

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WAY-270252
csChFnd80/10202016042D

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61-38-1

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N/A

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WAY-271127
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500149-26-8

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N/A

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WAY-615145
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M  END
>  <Mol_ID> (1,608)
1608

>  <Formula> (1,608)
C16H18N2OS

>  <MolWeight> (1,608)
286.39192

>  <Cat> (1,608)
P3761

>  <Name> (1,608)
WAY-615145

>  <Synonyms> (1,608)
N/A

>  <Target> (1,608)
glucokinase

>  <Form> (1,608)
free base

>  <CAS> (1,608)
536736-95-5

>  <URL> (1,608)
N/A

$$$$
WAY-613982
csChFnd80/10202016042D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,609)
1609

>  <Formula> (1,609)
C11H12N2OS2

>  <MolWeight> (1,609)
252.35578

>  <Cat> (1,609)
P3686

>  <Name> (1,609)
WAY-613982

>  <Synonyms> (1,609)
N/A

>  <Target> (1,609)
CK2

>  <Form> (1,609)
free base

>  <CAS> (1,609)
330449-39-3

>  <URL> (1,609)
N/A

$$$$
WAY-650334
csChFnd80/10202016042D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,610)
1610

>  <Formula> (1,610)
C12H12N2O3

>  <MolWeight> (1,610)
232.23528

>  <Cat> (1,610)
P3681

>  <Name> (1,610)
WAY-650334

>  <Synonyms> (1,610)
N/A

>  <Target> (1,610)
MAP2K4

>  <Form> (1,610)
free base

>  <CAS> (1,610)
847773-02-8

>  <URL> (1,610)
N/A

$$$$
GI-570482
csChFnd80/10202016042D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,611)
1611

>  <Formula> (1,611)
C13H14N2O3S

>  <MolWeight> (1,611)
278.32686

>  <Cat> (1,611)
P3703

>  <Name> (1,611)
GI-570482

>  <Synonyms> (1,611)
N/A

>  <Target> (1,611)
ExoS ADPRT,MET,USP14

>  <Form> (1,611)
free base

>  <CAS> (1,611)
109164-47-8

>  <URL> (1,611)
N/A

$$$$
WAY-272160
csChFnd80/10202016042D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,612)
1612

>  <Formula> (1,612)
C18H13ClN2O3

>  <MolWeight> (1,612)
340.76042

>  <Cat> (1,612)
P3737

>  <Name> (1,612)
WAY-272160

>  <Synonyms> (1,612)
N/A

>  <Target> (1,612)
 topoisomerase II,HER2

>  <Form> (1,612)
free base

>  <CAS> (1,612)
489413-54-9

>  <URL> (1,612)
N/A

$$$$
WAY-320461
csChFnd80/10202016042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,613)
1613

>  <Formula> (1,613)
C15H10BrN3O2S

>  <MolWeight> (1,613)
376.2278

>  <Cat> (1,613)
P3760

>  <Name> (1,613)
WAY-320461

>  <Synonyms> (1,613)
N/A

>  <Target> (1,613)
FAK

>  <Form> (1,613)
free base

>  <CAS> (1,613)
491839-65-7

>  <URL> (1,613)
N/A

$$$$
WAY-603392
csChFnd80/10202016042D

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  8  6  1  0  0  0  0
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 10 14  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
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 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
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M  END
>  <Mol_ID> (1,614)
1614

>  <Formula> (1,614)
C11H16N2O3S

>  <MolWeight> (1,614)
256.32134

>  <Cat> (1,614)
P3685

>  <Name> (1,614)
WAY-603392

>  <Synonyms> (1,614)
N/A

>  <Target> (1,614)
AKT(PKB) phosphorylation,ion channel

>  <Form> (1,614)
free base

>  <CAS> (1,614)
329906-01-6

>  <URL> (1,614)
N/A

$$$$
WAY-321341
csChFnd80/10202016042D

 29 33  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3 13  1  0  0  0  0
  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
  9  4  1  0  0  0  0
 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
 24 18  2  0  0  0  0
 25 20  2  0  0  0  0
 26 17  2  0  0  0  0
 27 19  2  0  0  0  0
 28 21  1  0  0  0  0
 29 28  2  0  0  0  0
 10  8  2  0  0  0  0
 27 26  1  0  0  0  0
  9 11  2  0  0  0  0
 22 29  1  0  0  0  0
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M  END
>  <Mol_ID> (1,615)
1615

>  <Formula> (1,615)
C24H22N4O

>  <MolWeight> (1,615)
382.45768

>  <Cat> (1,615)
P3759

>  <Name> (1,615)
WAY-321341

>  <Synonyms> (1,615)
N/A

>  <Target> (1,615)
SYK,Immunology & Inflammation related

>  <Form> (1,615)
free base

>  <CAS> (1,615)
314027-66-2

>  <URL> (1,615)
N/A

$$$$
WAY-322243
csChFnd80/10202016042D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.4000   -1.7042    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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  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  2  0  0  0  0
 12  8  1  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16  9  2  0  0  0  0
 17  2  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  2  0  0  0  0
 20 13  1  0  0  0  0
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 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 13  5  1  0  0  0  0
 12 15  2  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,616)
1616

>  <Formula> (1,616)
C18H18N2O2S

>  <MolWeight> (1,616)
326.41272

>  <Cat> (1,616)
P3736

>  <Name> (1,616)
WAY-322243

>  <Synonyms> (1,616)
N/A

>  <Target> (1,616)
CLK-1

>  <Form> (1,616)
free base

>  <CAS> (1,616)
332939-32-9

>  <URL> (1,616)
N/A

$$$$
WAY-322475
csChFnd80/10202016042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    9.1058    7.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9063    8.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4324    7.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  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
 17 20  1  0  0  0  0
  5  7  2  0  0  0  0
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 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,617)
1617

>  <Formula> (1,617)
C15H15N5

>  <MolWeight> (1,617)
265.3131

>  <Cat> (1,617)
P3691

>  <Name> (1,617)
WAY-322475

>  <Synonyms> (1,617)
N/A

>  <Target> (1,617)
GRK6,SUMOylation

>  <Form> (1,617)
free base

>  <CAS> (1,617)
300731-73-1

>  <URL> (1,617)
N/A

$$$$
