untitled.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (1)
1

>  <Formula> (1)
C21H18FN5O

>  <MolWeight> (1)
375.3989232

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S1003

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

>  <Synonyms> (1)
AL-39324

>  <Target> (1)
PDGFR, VEGFR

>  <Form> (1)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (2)
2

>  <Formula> (2)
C22H18N4OS

>  <MolWeight> (2)
386.46952

>  <Cat> (2)
S1005

>  <Name> (2)
Axitinib

>  <Synonyms> (2)
AG 013736

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

>  <Form> (2)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/09132414022D

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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
csChFnd80/09132414022D

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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
csChFnd80/09132414022D

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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
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (6)
6

>  <Formula> (6)
C19H25BN4O4

>  <MolWeight> (6)
384.2372

>  <Cat> (6)
S1013

>  <Name> (6)
Bortezomib (Velcade)

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

>  <Target> (6)
Proteasome

>  <Form> (6)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/09132414022D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 17 12  1  0  0  0  0
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M  END
>  <Mol_ID> (7)
8

>  <Formula> (7)
C25H27FN4O3

>  <MolWeight> (7)
450.5052832

>  <Cat> (7)
S1017

>  <Name> (7)
Cediranib (AZD2171)

>  <Synonyms> (7)
Recentin 

>  <Target> (7)
VEGFR, Flt

>  <Form> (7)
Free Base

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

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

$$$$
CI1040.cdx
csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (8)
9

>  <Formula> (8)
C17H14ClF2IN2O2

>  <MolWeight> (8)
478.6595364

>  <Cat> (8)
S1020

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

>  <Synonyms> (8)
N/A 

>  <Target> (8)
MEK 

>  <Form> (8)
Free Base

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

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

$$$$
Dasatinib.cdx
csChFnd80/09132414022D

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10

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>  <Name> (9)
Dasatinib

>  <Synonyms> (9)
BMS-354825

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

>  <Form> (9)
Free Base

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

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

$$$$
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>  <Mol_ID> (10)
11

>  <Formula> (10)
C53H84NO14P

>  <MolWeight> (10)
990.206121

>  <Cat> (10)
S1022

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

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

>  <Target> (10)
mTOR

>  <Form> (10)
Free Base

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

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

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (11)
12

>  <Formula> (11)
C21H21FN6O

>  <MolWeight> (11)
392.4294432

>  <Cat> (11)
S1018

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

>  <Synonyms> (11)
N/A

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

>  <Form> (11)
Free base

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

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

$$$$
untitled.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (12)
13

>  <Formula> (12)
C22H24ClFN4O3

>  <MolWeight> (12)
446.9023632

>  <Cat> (12)
S1025

>  <Name> (12)
Gefitinib (ZD1839)

>  <Synonyms> (12)
N/A

>  <Target> (12)
EGFR

>  <Form> (12)
Free Base

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

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

$$$$
Imatinib Mesylate.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (13)
14

>  <Formula> (13)
C30H35N7O4S

>  <MolWeight> (13)
589.7084

>  <Cat> (13)
S1026

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

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

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

>  <Form> (13)
Mesylate

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

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

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (14)
15

>  <Formula> (14)
C43H42ClFN4O10S3

>  <MolWeight> (14)
925.4607832

>  <Cat> (14)
S1028

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

>  <Synonyms> (14)
GW-57201

>  <Target> (14)
EGFR, HER2

>  <Form> (14)
Ditosylat

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

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

$$$$
untitled.cdx
csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (15)
16

>  <Formula> (15)
C13H13N3O3

>  <MolWeight> (15)
259.26062

>  <Cat> (15)
S1029

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

>  <Synonyms> (15)
CC-5013

>  <Target> (15)
TNF-alpha

>  <Form> (15)
Free Base

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

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

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (16)
17

>  <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
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (17)
18

>  <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
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (18)
19

>  <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
csChFnd80/09132414022D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (19)
20

>  <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
csChFnd80/09132414022D

 26 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (20)
21

>  <Formula> (20)
C19H16N4O3

>  <MolWeight> (20)
348.35534

>  <Cat> (20)
S1038

>  <Name> (20)
PI-103

>  <Synonyms> (20)
N/A

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

>  <Form> (20)
Free Base

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

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

$$$$
RAPAMYCIN.cdx
csChFnd80/09132414022D

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (21)
22

>  <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

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (22)
23

>  <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

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (23)
24

>  <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
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (24)
25

>  <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
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (25)
26

>  <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
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (26)
27

>  <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
csChFnd80/09132414022D

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>  <Mol_ID> (27)
28

>  <Formula> (27)
C28H30N6OS

>  <MolWeight> (27)
498.6424

>  <Cat> (27)
S1064

>  <Name> (27)
Masitinib (AB1010)

>  <Synonyms> (27)
N/A 

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

>  <Form> (27)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (28)
29

>  <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
csChFnd80/09132414022D

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TGF-beta/Smad

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301836-41-9

>  <URL> (29)
http://www.selleckchem.com/products/SB-431542.html

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HSP

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747412-49-3

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475110-96-4

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M  END
>  <Mol_ID> (33)
34

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C21H16FN3OS

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N/A

>  <Target> (33)
p38 MAPK 

>  <Form> (33)
Free Base

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

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

$$$$
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>  <Mol_ID> (34)
35

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C20H14FN3O

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331.3430632

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S1077

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SB202190 (FHPI)

>  <Synonyms> (34)
N/A

>  <Target> (34)
p38 MAPK 

>  <Form> (34)
Free Base

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

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

$$$$

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>  <Mol_ID> (35)
36

>  <Formula> (35)
C25H23Cl2N5O

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

>  <Name> (35)
MK-2206 dihydrochloride

>  <Synonyms> (35)
N/A

>  <Target> (35)
Akt

>  <Form> (35)
Dihydrochloride

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

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

$$$$
untitled.cdx
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>  <Mol_ID> (36)
37

>  <Formula> (36)
C28H30ClN5O4S

>  <MolWeight> (36)
568.0869

>  <Cat> (36)
S1080

>  <Name> (36)
SU11274

>  <Synonyms> (36)
PKI-SU11274

>  <Target> (36)
c-Met 

>  <Form> (36)
Free Base

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

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

$$$$
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>  <Mol_ID> (37)
38

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Brivanib (BMS-540215)

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VEGFR, FGFR

>  <Form> (37)
Free Base

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

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

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ADW742

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IGF-1R

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Free Base

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

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

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KU-55933 (ATM Kinase Inhibitor)

>  <Synonyms> (39)
N/A

>  <Target> (39)
ATM 

>  <Form> (39)
Free Base

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

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

$$$$
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>  <URL> (40)
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42

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C19H16N8O

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N/A

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c-Met 

>  <Form> (41)
Free Base

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956905-27-4

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

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>  <Mol_ID> (42)
43

>  <Formula> (42)
C25H15ClF2N4O2

>  <MolWeight> (42)
476.8620064

>  <Cat> (42)
S1100

>  <Name> (42)
MLN8054

>  <Synonyms> (42)
N/A

>  <Target> (42)
Aurora Kinase

>  <Form> (42)
Free Base

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

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

$$$$
untitled.cdx
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>  <Mol_ID> (43)
44

>  <Formula> (43)
C20H17Cl3N4

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

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

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

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

>  <Form> (43)
Dihydrochloride

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

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

$$$$
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>  <Mol_ID> (44)
45

>  <Formula> (44)
C29H31N5O4

>  <MolWeight> (44)
513.58754

>  <Cat> (44)
S1103

>  <Name> (44)
ZM-447439

>  <Synonyms> (44)
N/A

>  <Target> (44)
Aurora Kinase

>  <Form> (44)
Free Base

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

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

$$$$
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742112-33-0

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PLK

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Free Base

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755038-02-9

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

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C34H34F2N4O6

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>  <Synonyms> (50)
N/A 

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

>  <Form> (50)
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)
53

>  <Formula> (51)
C19H13F2N7

>  <MolWeight> (51)
377.3502264

>  <Cat> (51)
S1114

>  <Name> (51)
JNJ-38877605

>  <Synonyms> (51)
N/A

>  <Target> (51)
c-Met 

>  <Form> (51)
Free Base

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

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

$$$$
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>  <Mol_ID> (52)
54

>  <Formula> (52)
C53H83NO14

>  <MolWeight> (52)
958.22442

>  <Cat> (52)
S1120

>  <Name> (52)
Everolimus (RAD001)

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

>  <Target> (52)
mTOR

>  <Form> (52)
Free Base

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

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

$$$$
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>  <Mol_ID> (53)
55

>  <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
csChFnd80/09132414022D

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>  <Mol_ID> (54)
56

>  <Formula> (54)
C28H24FN3O5

>  <MolWeight> (54)
501.5056632

>  <Cat> (54)
S1119

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

>  <Synonyms> (54)
N/A

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

>  <Form> (54)
Free Base

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

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

$$$$
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M  END
>  <Mol_ID> (55)
57

>  <Formula> (55)
C19H23N7O2

>  <MolWeight> (55)
381.43162

>  <Cat> (55)
S1134

>  <Name> (55)
AT9283

>  <Synonyms> (55)
N/A

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

>  <Form> (55)
Free Base

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

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

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (56)
58

>  <Formula> (56)
C31H43N3O8

>  <MolWeight> (56)
585.68842

>  <Cat> (56)
S1141

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

>  <Synonyms> (56)
N/A 

>  <Target> (56)
HSP

>  <Form> (56)
Free Base

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

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

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (57)
59

>  <Formula> (57)
C22H24FN5O4

>  <MolWeight> (57)
441.4554632

>  <Cat> (57)
S1138

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

>  <Synonyms> (57)
N/A 

>  <Target> (57)
VEGFR, FGFR

>  <Form> (57)
Alaninate

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

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

$$$$
untitled.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (58)
61

>  <Formula> (58)
C17H24N4O2S2

>  <MolWeight> (58)
380.52806

>  <Cat> (58)
S1145

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

>  <Synonyms> (58)
BMS-387032

>  <Target> (58)
CDK 

>  <Form> (58)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/09132414022D

 37 40  0  0  0  0  0  0  0  0999 V2000
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Aurora Kinase

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722544-51-6

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

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N/A

>  <Target> (60)
Raf 

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Free Base

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

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

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Roscovitine (Seliciclib, CYC202) 

>  <Synonyms> (61)
N/A 

>  <Target> (61)
CDK 

>  <Form> (61)
Free Base

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

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

$$$$
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CP-724714

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N/A

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EGFR, HER2

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

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

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1214265-56-1

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693228-63-6

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c-Kit, Raf, VEGFR

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755037-03-7

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EGFR

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Free Base

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1214265-57-2

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>  <URL> (70)
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M  END
>  <Mol_ID> (71)
74

>  <Formula> (71)
C23H21F7N4O3

>  <MolWeight> (71)
534.4266624

>  <Cat> (71)
S1189

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

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

>  <Target> (71)
Substance P

>  <Form> (71)
Free Base

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

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

$$$$
S119401 CUDC-101.cdx
csChFnd80/09132414022D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (72)
75

>  <Formula> (72)
C24H26N4O4

>  <MolWeight> (72)
434.48764

>  <Cat> (72)
S1194

>  <Name> (72)
CUDC-101

>  <Synonyms> (72)
N/A

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

>  <Form> (72)
Free Base

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

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

$$$$
AV-951.cdx
csChFnd80/09132414022D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.3854    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4854    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4854    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9903    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1830    4.8371    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (73)
76

>  <Formula> (73)
C22H19ClN4O5

>  <MolWeight> (73)
454.86306

>  <Cat> (73)
S1207

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

>  <Synonyms> (73)
N/A 

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

>  <Form> (73)
Free Base

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

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

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/09132414022D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (74)
77

>  <Formula> (74)
C27H30ClNO11

>  <MolWeight> (74)
579.9802

>  <Cat> (74)
S1208

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

>  <Synonyms> (74)
N/A 

>  <Target> (74)
Topoisomerase

>  <Form> (74)
Hydrochloride

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

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

$$$$
OSI-930.cdx
csChFnd80/09132414022D

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

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mTOR 

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938440-64-3

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

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

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850879-09-3

>  <URL> (77)
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Dehydrogenase

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75706-12-6

>  <URL> (78)
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CDK, Aurora Kinase

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Free Base

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443797-96-4

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

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FGFR, VEGFR

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Free Base

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219580-11-7

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

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mTOR 

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1062169-56-5

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

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>  <Mol_ID> (87)
90

>  <Formula> (87)
C24H18F3N3O4

>  <MolWeight> (87)
469.4126296

>  <Cat> (87)
S1363

>  <Name> (87)
Ki8751

>  <Synonyms> (87)
N/A

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

>  <Form> (87)
Free Base

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

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

$$$$
resveratrol.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (88)
93

>  <Formula> (88)
C14H12O3

>  <MolWeight> (88)
228.24328

>  <Cat> (88)
S1396

>  <Name> (88)
Resveratrol

>  <Synonyms> (88)
N/A

>  <Target> (88)
Sirtuin

>  <Form> (88)
Free Base

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

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

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (89)
94

>  <Formula> (89)
C31H31ClFN7O2

>  <MolWeight> (89)
588.0749432

>  <Cat> (89)
S1451

>  <Name> (89)
Aurora A Inhibitor I

>  <Synonyms> (89)
N/A

>  <Target> (89)
Aurora Kinase

>  <Form> (89)
Free Base

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

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

$$$$
PHA-6806320.cdx
csChFnd80/09132414022D

 37 41  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (90)
95

>  <Formula> (90)
C28H35N7O2

>  <MolWeight> (90)
501.6232

>  <Cat> (90)
S1454

>  <Name> (90)
PHA-680632

>  <Synonyms> (90)
N/A

>  <Target> (90)
Aurora Kinase

>  <Form> (90)
Free Base

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

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

$$$$
Thiazovivin.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (91)
96

>  <Formula> (91)
C15H13N5OS

>  <MolWeight> (91)
311.36162

>  <Cat> (91)
S1459

>  <Name> (91)
Thiazovivin

>  <Synonyms> (91)
N/A

>  <Target> (91)
ROCK

>  <Form> (91)
Free Base

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

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

$$$$
sp600125.cdx
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252916-29-3

>  <URL> (93)
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ROCK 

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864082-47-3

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

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1236699-92-5

>  <URL> (95)
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N/A

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TGF-beta/Smad

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

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

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CDK

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718630-59-2

>  <URL> (99)
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943319-70-8

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

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>  <Name> (102)
Palomid 529

>  <Synonyms> (102)
P529

>  <Target> (102)
mTOR

>  <Form> (102)
Free Base

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

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

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1349796-36-6

>  <URL> (103)
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CDK 

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844442-38-2

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

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Wee1

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Free Base

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955365-80-7

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

$$$$
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Quizartinib (AC220)

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>  <Target> (106)
Flt

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

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

$$$$
Hesperadin .cdx
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>  <Mol_ID> (107)
112

>  <Formula> (107)
C29H32N4O3S

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

>  <Synonyms> (107)
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>  <Target> (107)
Aurora Kinase

>  <Form> (107)
Free Base

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

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

$$$$
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mTOR

>  <Form> (112)
Free Base

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

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

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PHT-427

>  <Synonyms> (113)
N/A 

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

>  <Form> (113)
Free Base

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

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

$$$$
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>  <Mol_ID> (114)
119

>  <Formula> (114)
C20H21ClN4O4

>  <MolWeight> (114)
416.85814

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

>  <Synonyms> (114)
N/A 

>  <Target> (114)
VEGFR, PDGFR

>  <Form> (114)
Free Base

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

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

$$$$
AT7867.cdx
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>  <Mol_ID> (115)
120

>  <Formula> (115)
C20H20ClN3

>  <MolWeight> (115)
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>  <Cat> (115)
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AT7867

>  <Synonyms> (115)
N/A

>  <Target> (115)
Akt, S6 kinase

>  <Form> (115)
Free Base

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

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

$$$$
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c-Met

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1025720-94-8

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

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MEK 

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391210-00-7 

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

$$$$
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csChFnd80/09132414022D

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123

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ATM 

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Free Base

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925701-49-1

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

$$$$
BS-181.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (119)
124

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BS-181 HCl

>  <Synonyms> (119)
N/A

>  <Target> (119)
CDK 

>  <Form> (119)
Hydrochloride

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

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

$$$$
Fasudil HCl.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (120)
125

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C14H18ClN3O2S

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

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

>  <Synonyms> (120)
AT-877 

>  <Target> (120)
ROCK

>  <Form> (120)
Hydrochloride

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

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

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/09132414022D

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   11.9409    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9863    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7738    8.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0295    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
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 37 38  1  0  0  0  0
 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (121)
126

>  <Formula> (121)
C31H37N5O3

>  <MolWeight> (121)
527.65718

>  <Cat> (121)
S1574

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

>  <Synonyms> (121)
N/A

>  <Target> (121)
p38 MAPK

>  <Form> (121)
Free Base

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

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

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/09132414022D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (122)
127

>  <Formula> (122)
C26H21N3O2S

>  <MolWeight> (122)
439.52884

>  <Cat> (122)
S1577

>  <Name> (122)
Tie2 kinase inhibitor

>  <Synonyms> (122)
N/A

>  <Target> (122)
Tie-2

>  <Form> (122)
Free Base

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

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

$$$$

csChFnd80/09132414022D

 38 41  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (123)
128

>  <Formula> (123)
C27H30Cl2F2N6O

>  <MolWeight> (123)
563.4695064

>  <Cat> (123)
S2686

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

>  <Synonyms> (123)
N/A

>  <Target> (123)
JAK

>  <Form> (123)
HCl

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

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

$$$$
ALINIA (nitazoxanide).cdx
csChFnd80/09132414022D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (124)
130

>  <Formula> (124)
C12H9N3O5S

>  <MolWeight> (124)
307.28196

>  <Cat> (124)
S1627

>  <Name> (124)
Nitazoxanide (Alinia, Annita)

>  <Synonyms> (124)
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazox, Toza

>  <Target> (124)
Others

>  <Form> (124)
Free Base

>  <CAS> (124)
55981-09-4

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

$$$$
Artemisinin.cdx
csChFnd80/09132414022D

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 11 13  1  6  0  0  0
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M  END
>  <Mol_ID> (125)
131

>  <Formula> (125)
C15H22O5

>  <MolWeight> (125)
282.33218

>  <Cat> (125)
S1282

>  <Name> (125)
Artemisinin

>  <Synonyms> (125)
Qinghaosu

>  <Target> (125)
Antifection

>  <Form> (125)
Free Base

>  <CAS> (125)
63968-64-9

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

$$$$
APRISO (mesalamine).cdx
csChFnd80/09132414022D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (126)
132

>  <Formula> (126)
C7H7NO3

>  <MolWeight> (126)
153.13538

>  <Cat> (126)
S1681

>  <Name> (126)
Mesalamine (Lialda)

>  <Synonyms> (126)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (126)
I¦ÊB/IKK

>  <Form> (126)
Free Base

>  <CAS> (126)
89-57-6

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

$$$$
DCC-2036.cdx
csChFnd80/09132414022D

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   11.9367    2.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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M  END
>  <Mol_ID> (127)
133

>  <Formula> (127)
C30H28FN7O3

>  <MolWeight> (127)
553.5868232

>  <Cat> (127)
S2634

>  <Name> (127)
DCC-2036 (Rebastinib)

>  <Synonyms> (127)
N/A 

>  <Target> (127)
Bcr-Abl

>  <Form> (127)
Free Base

>  <CAS> (127)
1020172-07-9

>  <URL> (127)
http://www.selleckchem.com/products/dcc-2036.html

$$$$
Pitavastatin calcium.cdx
csChFnd80/09132414022D

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 29 31  2  0  0  0  0
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 33 34  2  0  0  0  0
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 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
 40 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 43  1  0  0  0  0
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 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 46  1  0  0  0  0
 49 52  1  0  0  0  0
 41 53  1  0  0  0  0
 53 54  2  3  0  0  0
 55 54  1  0  0  0  0
 55 56  1  6  0  0  0
 55 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 60 62  2  0  0  0  0
 58 63  1  6  0  0  0
M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (128)
134

>  <Formula> (128)
C50H46CaF2N2O8

>  <MolWeight> (128)
880.9836464

>  <Cat> (128)
S1759

>  <Name> (128)
Pitavastatin calcium (Livalo)

>  <Synonyms> (128)
Livalo

>  <Target> (128)
HMG-CoA Reductase

>  <Form> (128)
Calcium salt

>  <CAS> (128)
147526-32-7

>  <URL> (128)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    5.2546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5190    5.6872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5190    7.0872    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1875    7.5199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3646    6.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    8.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.8672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    7.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    9.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  3 10  1  0  0  0  0
 11  9  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 14 16  1  6  0  0  0
 12 17  1  6  0  0  0
 13 18  1  1  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (129)
135

>  <Formula> (129)
C10H13N5O4

>  <MolWeight> (129)
267.24132

>  <Cat> (129)
S1784

>  <Name> (129)
Vidarabine (Vira-A)

>  <Synonyms> (129)
Vira-A

>  <Target> (129)
5-alpha Reductase 

>  <Form> (129)
Free Base

>  <CAS> (129)
5536-17-4

>  <URL> (129)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

$$$$
Acyclovir.cdx
csChFnd80/09132414022D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.5188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3243    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2611    3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5611    5.2023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917    4.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7569    1.6179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0631    2.3673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6305    3.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5640    4.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5575    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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  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
 14  8  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (130)
136

>  <Formula> (130)
C8H11N5O3

>  <MolWeight> (130)
225.20464

>  <Cat> (130)
S1807

>  <Name> (130)
Acyclovir (Aciclovir)

>  <Synonyms> (130)
Aciclovir, Acycloguanosine, Zovirax 

>  <Target> (130)
Antifection

>  <Form> (130)
Free Base

>  <CAS> (130)
59277-89-3 

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

$$$$
ADALAT (nifedipine).cdx
csChFnd80/09132414022D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6247    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4019    5.2575    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.3884    4.2710    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.7629    6.6051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (131)
137

>  <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

$$$$
Amiloride hydrochloride.cdx
csChFnd80/09132414022D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1376    5.3651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (132)
138

>  <Formula> (132)
C6H9Cl2N7O

>  <MolWeight> (132)
266.08796

>  <Cat> (132)
S1811

>  <Name> (132)
Amiloride HCl

>  <Synonyms> (132)
N/A

>  <Target> (132)
Sodium Channel,Calcium Channel

>  <Form> (132)
Hydrochloride

>  <CAS> (132)
2016-88-8

>  <URL> (132)
http://www.selleckchem.com/products/Amiloride-hydrochloride(Midamor).html

$$$$
clemastine fumarate.cdx
csChFnd80/09132414022D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.2569    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    6.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8900    6.4325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8404    4.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9368    4.2067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0386    2.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2487    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6467    5.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9836    7.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1918    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4001    7.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
  8 17  1  1  0  0  0
  8 18  1  6  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 23 17  1  0  0  0  0
 13 24  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  2  0  0  0  0
 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (133)
140

>  <Formula> (133)
C25H30ClNO5

>  <MolWeight> (133)
459.9624

>  <Cat> (133)
S1847

>  <Name> (133)
Clemastine Fumarate

>  <Synonyms> (133)
Tavist, Agasten 

>  <Target> (133)
Histamine Receptor

>  <Form> (133)
Fumarate

>  <CAS> (133)
14976-57-9

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

$$$$
Methylthiouracil.cdx
csChFnd80/09132414022D

  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> (134)
141

>  <Formula> (134)
C5H6N2OS

>  <MolWeight> (134)
142.17894

>  <Cat> (134)
S3138

>  <Name> (134)
Methylthiouracil

>  <Synonyms> (134)
N/A

>  <Target> (134)
Others

>  <Form> (134)
Free Base

>  <CAS> (134)
20547

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

$$$$
MENADIONE (menadione).cdx
csChFnd80/09132414022D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (135)
142

>  <Formula> (135)
C11H8O2

>  <MolWeight> (135)
172.18002

>  <Cat> (135)
S1949

>  <Name> (135)
Menadione

>  <Synonyms> (135)
Vitamin K3

>  <Target> (135)
DNA/RNA Synthesis,phosphatase

>  <Form> (135)
Free Base

>  <CAS> (135)
58-27-5

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/09132414022D

 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> (136)
143

>  <Formula> (136)
C4H12ClN5

>  <MolWeight> (136)
165.62458

>  <Cat> (136)
S1950

>  <Name> (136)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (136)
Glucophage, Riomet, Diabex

>  <Target> (136)
Others

>  <Form> (136)
Hydrochloride

>  <CAS> (136)
1115-70-4

>  <URL> (136)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Tanshinone IIA.cdx
csChFnd80/09132414022D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    5.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    7.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (137)
144

>  <Formula> (137)
C19H18O3

>  <MolWeight> (137)
294.34442

>  <Cat> (137)
S2365

>  <Name> (137)
Tanshinone IIA (Tanshinone B)

>  <Synonyms> (137)
Tanshinone B, Tanshinone II

>  <Target> (137)
Lipase

>  <Form> (137)
Free Base

>  <CAS> (137)
568-72-9

>  <URL> (137)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

$$$$
Biochanin A.cdx
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (138)
145

>  <Formula> (138)
C16H12O5

>  <MolWeight> (138)
284.26348

>  <Cat> (138)
S2377

>  <Name> (138)
Biochanin A (4-Methylgenistein)

>  <Synonyms> (138)
4-Methylgenistein

>  <Target> (138)
FAAH

>  <Form> (138)
Free Base

>  <CAS> (138)
491-80-5

>  <URL> (138)
http://www.selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

$$$$
Diosmetin.cdx
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (139)
146

>  <Formula> (139)
C16H12O6

>  <MolWeight> (139)
300.26288

>  <Cat> (139)
S2380

>  <Name> (139)
Diosmetin (Luteolin 4-methyl ether)

>  <Synonyms> (139)
Luteolin 4-methyl ether

>  <Target> (139)
P450 (e.g. CYP17)

>  <Form> (139)
Free Base

>  <CAS> (139)
520-34-3

>  <URL> (139)
http://www.selleckchem.com/products/Diosmetin(Luteolin-4-methyl-ether).html

$$$$
Indirubin.cdx
csChFnd80/09132414022D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    4.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2683    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5594    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (140)
147

>  <Formula> (140)
C16H10N2O2

>  <MolWeight> (140)
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>  <Cat> (140)
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>  <Name> (140)
Indirubin

>  <Synonyms> (140)
N/A

>  <Target> (140)
GSK-3

>  <Form> (140)
Free Base

>  <CAS> (140)
479-41-4 

>  <URL> (140)
http://www.selleckchem.com/products/Indirubin.html

$$$$
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>  <Mol_ID> (141)
148

>  <Formula> (141)
C30H29N5O5

>  <MolWeight> (141)
539.58176

>  <Cat> (141)
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>  <Name> (141)
AMG458

>  <Synonyms> (141)
N/A

>  <Target> (141)
c-Met

>  <Form> (141)
Free Base

>  <CAS> (141)
913376-83-7 

>  <URL> (141)
http://www.selleckchem.com/products/amg458.html

$$$$
Arry-380.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (142)
149

>  <Formula> (142)
C29H27N7O4S

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S2752

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HER2 Inhibitor 1

>  <Synonyms> (142)
N/A

>  <Target> (142)
HER2, EGFR

>  <Form> (142)
Free Base

>  <CAS> (142)
937265-83-3

>  <URL> (142)
http://www.selleckchem.com/products/arry-380.html

$$$$
PHA-848125.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (143)
150

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C25H32N8O

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PHA-848125

>  <Synonyms> (143)
N/A

>  <Target> (143)
CDK

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>  <CAS> (143)
802539-81-7

>  <URL> (143)
http://www.selleckchem.com/products/pha-848125.html

$$$$
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PI3K, mTOR

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Maleate

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1245537-68-1

>  <URL> (147)
http://www.selleckchem.com/products/nvp-bgt226.html

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156

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C25H21N7O3

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N/A

>  <Target> (148)
PI3K 

>  <Form> (148)
Free Base

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371942-69-7

>  <URL> (148)
http://www.selleckchem.com/products/ym201636.html

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159

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C23H19N3O2

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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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160

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C23H26IN7O2S

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Free Base

>  <CAS> (150)
702675-74-9

>  <URL> (150)
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>  <Mol_ID> (151)
161

>  <Formula> (151)
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>  <MolWeight> (151)
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>  <Cat> (151)
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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
csChFnd80/09132414022D

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>  <Mol_ID> (152)
162

>  <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
csChFnd80/09132414022D

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>  <Mol_ID> (153)
163

>  <Formula> (153)
C23H24N8O4S

>  <MolWeight> (153)
508.55286

>  <Cat> (153)
S2759

>  <Name> (153)
CUDC-907

>  <Synonyms> (153)
N/A

>  <Target> (153)
HDAC, PI3K

>  <Form> (153)
Free Base

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

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

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (154)
164

>  <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
csChFnd80/09132414022D

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694433-59-5

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

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>  <Mol_ID> (159)
169

>  <Formula> (159)
C14H11N3O3S

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>  <Cat> (159)
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>  <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
csChFnd80/09132414022D

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>  <Mol_ID> (160)
170

>  <Formula> (160)
C25H30N6O3

>  <MolWeight> (160)
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>  <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
csChFnd80/09132414022D

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>  <Mol_ID> (161)
171

>  <Formula> (161)
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>  <Cat> (161)
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>  <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

$$$$
Piceatannol.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (162)
174

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C14H12O4

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>  <Synonyms> (162)
N/A 

>  <Target> (162)
Others

>  <Form> (162)
Free Base

>  <CAS> (162)
10083-24-6

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

$$$$
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193275-84-2

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1217486-61-7

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>  <Mol_ID> (171)
184

>  <Formula> (171)
C23H25ClN6O3

>  <MolWeight> (171)
468.936

>  <Cat> (171)
S2820

>  <Name> (171)
NVP-TAE226

>  <Synonyms> (171)
N/A 

>  <Target> (171)
FAK

>  <Form> (171)
Free Base

>  <CAS> (171)
761437-28-9

>  <URL> (171)
http://www.selleckchem.com/products/nvp-tae226.html

$$$$
Quercetin.cdx
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (172)
185

>  <Formula> (172)
C15H10O7

>  <MolWeight> (172)
302.2357

>  <Cat> (172)
S2391

>  <Name> (172)
Quercetin (Sophoretin)

>  <Synonyms> (172)
Meletin, Quercetine

>  <Target> (172)
PI3K, PKC, Src, Sirtuin

>  <Form> (172)
Free Base

>  <CAS> (172)
117-39-5

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

$$$$
Salidroside.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (173)
186

>  <Formula> (173)
C14H20O7

>  <MolWeight> (173)
300.3044

>  <Cat> (173)
S2396

>  <Name> (173)
Salidroside (Rhodioloside)

>  <Synonyms> (173)
Rhodioloside

>  <Target> (173)
Others

>  <Form> (173)
Free Base

>  <CAS> (173)
10338-51-9

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

$$$$
E7080.cdx
csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (174)
187

>  <Formula> (174)
C21H19ClN4O4

>  <MolWeight> (174)
426.85296

>  <Cat> (174)
S1164

>  <Name> (174)
E7080 (Lenvatinib)

>  <Synonyms> (174)
N/A

>  <Target> (174)
VEGFR

>  <Form> (174)
Free Base

>  <CAS> (174)
417716-92-8

>  <URL> (174)
http://www.selleckchem.com/products/E7080.html

$$$$
AZD8330.cdx
csChFnd80/09132414022D

 25 26  0  0  0  0  0  0  0  0999 V2000
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MEK

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>  <CAS> (175)
869357-68-6

>  <URL> (175)
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Flt, Bcr-Abl, Aurora Kinase

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Free Base

>  <CAS> (176)
1000669-72-6

>  <URL> (176)
http://www.selleckchem.com/products/KW-2449.html

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Raf, VEGFR

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Free Base

>  <CAS> (177)
927880-90-8

>  <URL> (177)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

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Daphnetin

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N/A 

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DNA/RNA Synthesis

>  <Form> (178)
Free Base

>  <CAS> (178)
486-35-1

>  <URL> (178)
http://www.selleckchem.com/products/Daphnetin.html

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JAK 

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1229236-86-5

>  <URL> (179)
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193

>  <Formula> (180)
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473.9277032

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AZD8931

>  <Synonyms> (180)
N/A

>  <Target> (180)
EGFR, HER2

>  <Form> (180)
Free Base

>  <CAS> (180)
848942-61-0

>  <URL> (180)
http://www.selleckchem.com/products/AZD8931.html

$$$$
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>  <Mol_ID> (181)
194

>  <Formula> (181)
C27H28F3N5O2S

>  <MolWeight> (181)
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>  <Cat> (181)
S2193

>  <Name> (181)
GSK461364

>  <Synonyms> (181)
N/A

>  <Target> (181)
PLK

>  <Form> (181)
Free Base

>  <CAS> (181)
929095-18-1

>  <URL> (181)
http://www.selleckchem.com/products/GSK461364.html

$$$$
R406.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (182)
195

>  <Formula> (182)
C28H29FN6O8S

>  <MolWeight> (182)
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>  <Cat> (182)
S2194

>  <Name> (182)
R406

>  <Synonyms> (182)
N/A

>  <Target> (182)
Syk, Flt

>  <Form> (182)
Besylate

>  <CAS> (182)
841290-81-1

>  <URL> (182)
http://www.selleckchem.com/products/R406.html

$$$$
SGI 1776 free base.cdx
csChFnd80/09132414022D

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SGI-1776 free base

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>  <Target> (183)
Pim

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Free Base

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1025065-69-3

>  <URL> (183)
http://www.selleckchem.com/products/SGI-1776.html

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197

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S2201

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BMS794833

>  <Target> (184)
c-Met, VEGFR

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Free Base

>  <CAS> (184)
1174046-72-0

>  <URL> (184)
http://www.selleckchem.com/products/BMS-794833.html

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csChFnd80/09132414022D

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198

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C26H20F3N7O

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S2202

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NVP-BHG712

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N/A

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VEGFR, Src, Raf, Bcr-Abl

>  <Form> (185)
Free Base

>  <CAS> (185)
940310-85-0

>  <URL> (185)
http://www.selleckchem.com/products/NVP-BHG712.html

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OSI 420.cdx
csChFnd80/09132414022D

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199

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C21H22ClN3O4

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OSI-420 (Desmethyl Erlotinib)

>  <Synonyms> (186)
CP-473420 

>  <Target> (186)
EGFR

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Hydrochloride

>  <CAS> (186)
183320-51-6

>  <URL> (186)
http://www.selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

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900185-01-5 

>  <URL> (187)
http://www.selleckchem.com/products/PIK-293.html

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HER2

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366017-09-6

>  <URL> (188)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

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TORKinib 

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mTOR

>  <Form> (189)
Free Base

>  <CAS> (189)
1092351-67-1

>  <URL> (189)
http://www.selleckchem.com/products/PP242.html

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405554-55-4 

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 22 17  1  0  0  0  0
 14 23  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
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 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (191)
206

>  <Formula> (191)
C22H18O11

>  <MolWeight> (191)
458.37172

>  <Cat> (191)
S2250

>  <Name> (191)
(-)-Epigallocatechin gallate

>  <Synonyms> (191)
EGCG

>  <Target> (191)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (191)
Free Base

>  <CAS> (191)
989-51-5

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

$$$$
(+)-Usniacin.cdx
csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2 10  2  0  0  0  0
  6 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  5  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 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> (192)
207

>  <Formula> (192)
C18H16O7

>  <MolWeight> (192)
344.31544

>  <Cat> (192)
S2252

>  <Name> (192)
(+)-Usniacin (D-Usnic acid)

>  <Synonyms> (192)
D-Usnic acid

>  <Target> (192)
Others

>  <Form> (192)
Free Base

>  <CAS> (192)
7562-61-0

>  <URL> (192)
http://www.selleckchem.com/products/(+)-Usniacin(D-Usnic-acid).html

$$$$
AESCULIN.cdx
csChFnd80/09132414022D

 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
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (193)
208

>  <Formula> (193)
C15H16O9

>  <MolWeight> (193)
340.28214

>  <Cat> (193)
S2258

>  <Name> (193)
Aesculin (Esculin)

>  <Synonyms> (193)
Esculin

>  <Target> (193)
Others

>  <Form> (193)
Free Base

>  <CAS> (193)
531-75-9

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

$$$$
Apigenin.cdx
csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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 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> (194)
209

>  <Formula> (194)
C15H10O5

>  <MolWeight> (194)
270.2369

>  <Cat> (194)
S2262

>  <Name> (194)
Apigenin

>  <Synonyms> (194)
N/A

>  <Target> (194)
P450

>  <Form> (194)
Free Base

>  <CAS> (194)
520-36-5

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

$$$$
Asiatic acid.cdx
csChFnd80/09132414022D

 38 42  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.5249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    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
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    3.6331    5.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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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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 16 17  1  0  0  0  0
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 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 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> (195)
210

>  <Formula> (195)
C30H48O5

>  <MolWeight> (195)
488.69912

>  <Cat> (195)
S2266

>  <Name> (195)
Asiatic acid

>  <Synonyms> (195)
N/A

>  <Target> (195)
p38 MAPK

>  <Form> (195)
Free Base

>  <CAS> (195)
464-92-6

>  <URL> (195)
http://www.selleckchem.com/products/Asiatic-acid.html

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/09132414022D

 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
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    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
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    7.2704    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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    2.4207    0.6976    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
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  5  6  2  0  0  0  0
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  4  7  1  0  0  0  0
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  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
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 18 14  1  0  0  0  0
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  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> (196)
211

>  <Formula> (196)
C20H18ClNO4

>  <MolWeight> (196)
371.81422

>  <Cat> (196)
S2271

>  <Name> (196)
Berberine chloride

>  <Synonyms> (196)
N/A

>  <Target> (196)
Antifection

>  <Form> (196)
chloride

>  <CAS> (196)
633-65-8

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

$$$$
Cryptotanshinone.cdx
csChFnd80/09132414022D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3937    5.8451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    7.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  1  0  0  0
M  END
>  <Mol_ID> (197)
212

>  <Formula> (197)
C19H20O3

>  <MolWeight> (197)
296.3603

>  <Cat> (197)
S2285

>  <Name> (197)
Cryptotanshinone

>  <Synonyms> (197)
N/A

>  <Target> (197)
STAT

>  <Form> (197)
Free Base

>  <CAS> (197)
35825-57-1

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

$$$$
Emodin.cdx
csChFnd80/09132414022D

 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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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> (198)
213

>  <Formula> (198)
C15H10O5

>  <MolWeight> (198)
270.2369

>  <Cat> (198)
S2295

>  <Name> (198)
Emodin

>  <Synonyms> (198)
N/A

>  <Target> (198)
Dehydrogenase

>  <Form> (198)
Free Base

>  <CAS> (198)
518-82-1

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

$$$$
Formononetin.cdx
csChFnd80/09132414022D

 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> (199)
214

>  <Formula> (199)
C16H12O4

>  <MolWeight> (199)
268.26408

>  <Cat> (199)
S2299

>  <Name> (199)
Formononetin (Formononetol)

>  <Synonyms> (199)
Biochanin B, Formononetol 

>  <Target> (199)
Others

>  <Form> (199)
Free Base

>  <CAS> (199)
485-72-3

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

$$$$
Fumalic acid.cdx
csChFnd80/09132414022D

 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> (200)
215

>  <Formula> (200)
C10H10O4

>  <MolWeight> (200)
194.184

>  <Cat> (200)
S2300

>  <Name> (200)
Fumalic acid (Ferulic acid)

>  <Synonyms> (200)
Ferulic acid

>  <Target> (200)
Others

>  <Form> (200)
Free Base

>  <CAS> (200)
1135-24-6

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

$$$$
Hesperetin.cdx
csChFnd80/09132414022D

 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
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   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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> (201)
216

>  <Formula> (201)
C16H14O6

>  <MolWeight> (201)
302.27876

>  <Cat> (201)
S2308

>  <Name> (201)
Hesperetin

>  <Synonyms> (201)
N/A

>  <Target> (201)
Histamine Receptor

>  <Form> (201)
Free Base

>  <CAS> (201)
520-33-2

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

$$$$
Honokiol.cdx
csChFnd80/09132414022D

 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> (202)
217

>  <Formula> (202)
C18H18O2

>  <MolWeight> (202)
266.33432

>  <Cat> (202)
S2310

>  <Name> (202)
Honokiol

>  <Synonyms> (202)
N/A

>  <Target> (202)
Akt, MEK

>  <Form> (202)
Free Base

>  <CAS> (202)
35354-74-6

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

$$$$
Myricetin.cdx
csChFnd80/09132414022D

 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
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    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  4  5  1  0  0  0  0
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  8  9  2  0  0  0  0
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 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> (203)
218

>  <Formula> (203)
C15H10O8

>  <MolWeight> (203)
318.2351

>  <Cat> (203)
S2326

>  <Name> (203)
Myricetin (Cannabiscetin)

>  <Synonyms> (203)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (203)
NULL

>  <Form> (203)
Free Base

>  <CAS> (203)
529-44-2

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

$$$$
Myricitrin.cdx
csChFnd80/09132414022D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  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
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 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> (204)
219

>  <Formula> (204)
C21H20O12

>  <MolWeight> (204)
464.3763

>  <Cat> (204)
S2327

>  <Name> (204)
Myricitrin (Myricitrine)

>  <Synonyms> (204)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (204)
PKC

>  <Form> (204)
Free Base

>  <CAS> (204)
17912-87-7

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

$$$$
Oridonin.cdx
csChFnd80/09132414022D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.5553    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5553    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5097    5.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1465    5.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    6.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    6.8823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9105    8.4019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4641    6.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1677    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1062    7.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  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
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15  9  1  0  0  0  0
  9  7  1  1  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  2  0  0  0  0
 10 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  6  0  0  0
  1 21  1  6  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  5 24  1  1  0  0  0
  6 25  1  1  0  0  0
 25 26  1  0  0  0  0
  7 26  1  1  0  0  0
 12 27  1  6  0  0  0
 13 28  1  6  0  0  0
M  END
>  <Mol_ID> (205)
220

>  <Formula> (205)
C20H28O6

>  <MolWeight> (205)
364.43272

>  <Cat> (205)
S2335

>  <Name> (205)
Oridonin (Isodonol)

>  <Synonyms> (205)
Isodonol

>  <Target> (205)
Others

>  <Form> (205)
Free Base

>  <CAS> (205)
28957-04-2

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/09132414022D

 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
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    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1496    3.8440    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  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> (206)
221

>  <Formula> (206)
C15H14O9

>  <MolWeight> (206)
338.26626

>  <Cat> (206)
S2347

>  <Name> (206)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (206)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (206)
Others

>  <Form> (206)
Dihydrate

>  <CAS> (206)
6151-25-3

>  <URL> (206)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/09132414022D

 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
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    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 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
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 16 17  1  0  0  0  0
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 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> (207)
222

>  <Formula> (207)
C15H12O8

>  <MolWeight> (207)
320.25098

>  <Cat> (207)
S2399

>  <Name> (207)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (207)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (207)
Others

>  <Form> (207)
Free Base

>  <CAS> (207)
27200-12-0

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

$$$$
Sophocarpine.cdx
csChFnd80/09132414022D

 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
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    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
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    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
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    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  1  1  0  0  0
 10 20  1  6  0  0  0
  9 21  1  6  0  0  0
  8 22  1  6  0  0  0
M  END
>  <Mol_ID> (208)
223

>  <Formula> (208)
C15H22N2O

>  <MolWeight> (208)
246.34798

>  <Cat> (208)
S2405

>  <Name> (208)
Sophocarpine

>  <Synonyms> (208)
N/A

>  <Target> (208)
Others

>  <Form> (208)
Free Base

>  <CAS> (208)
6483-15-4

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

$$$$
Chrysophanic acid.cdx
csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (209)
224

>  <Formula> (209)
C15H10O4

>  <MolWeight> (209)
254.2375

>  <Cat> (209)
S2406

>  <Name> (209)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (209)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (209)
EGFR, mTOR

>  <Form> (209)
Free Base

>  <CAS> (209)
481-74-3

>  <URL> (209)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
Curcumol.cdx
csChFnd80/09132414022D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7265    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (210)
225

>  <Formula> (210)
C15H24O2

>  <MolWeight> (210)
236.34986

>  <Cat> (210)
S2407

>  <Name> (210)
Curcumol

>  <Synonyms> (210)
N/A

>  <Target> (210)
JAK

>  <Form> (210)
Free Base

>  <CAS> (210)
4871-97-0

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

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/09132414022D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.7455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6784    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7181    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  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
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 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 13 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
M  END
>  <Mol_ID> (211)
226

>  <Formula> (211)
C18H29ClN2O

>  <MolWeight> (211)
324.88866

>  <Cat> (211)
S2454

>  <Name> (211)
Bupivacaine hydrochloride (Marcain)

>  <Synonyms> (211)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (211)
Sodium Channel

>  <Form> (211)
Hydrochloride

>  <CAS> (211)
18010-40-7

>  <URL> (211)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

$$$$
Imatinib.cdx
csChFnd80/09132414022D

 37 41  0  0  0  0  0  0  0  0999 V2000
    4.8371   10.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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152459-95-5

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N/A

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Flt, JAK, c-RET

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Free Base

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936091-14-4

>  <URL> (215)
http://www.selleckchem.com/products/tg101209.html

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AMG 900

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N/A

>  <Target> (216)
Aurora Kinase

>  <Form> (216)
Free Base

>  <CAS> (216)
945595-80-2

>  <URL> (216)
http://www.selleckchem.com/products/amg-900.html

$$$$

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232

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C22H30Cl2N4O6

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S2485

>  <Name> (217)
Mitoxantrone 2HCl

>  <Synonyms> (217)
NSC-301739

>  <Target> (217)
Topoisomerase

>  <Form> (217)
Dihydrochloride

>  <CAS> (217)
70476-82-3

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

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233

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>  <Target> (218)
PI3K, mTOR

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1086062-66-9 

>  <URL> (218)
http://www.selleckchem.com/products/gsk2126458.html

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M  END
>  <Mol_ID> (219)
234

>  <Formula> (219)
C19H34ClNO2

>  <MolWeight> (219)
343.93176

>  <Cat> (219)
S5002

>  <Name> (219)
Fingolimod (FTY720) HCl

>  <Synonyms> (219)
Gilenia 

>  <Target> (219)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (219)
Hydrochloride

>  <URL> (219)
http://www.selleckchem.com/products/FTY720.html

$$$$
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236

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C22H18FN7O

>  <MolWeight> (220)
415.4230232

>  <Cat> (220)
S2226

>  <Name> (220)
CAL-101 (GS-1101)

>  <Synonyms> (220)
CAL101

>  <Target> (220)
PI3K 

>  <Form> (220)
Free Base

>  <CAS> (220)
870281-82-6

>  <URL> (220)
http://www.selleckchem.com/products/CAL-101.html

$$$$
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csChFnd80/09132414022D

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237

>  <Formula> (221)
C34H50N8O3

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618.8126

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S2235

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BI6727 (Volasertib)

>  <Synonyms> (221)
N/A 

>  <Target> (221)
PLK 

>  <Form> (221)
Free Base

>  <CAS> (221)
755038-65-4

>  <URL> (221)
http://www.selleckchem.com/products/BI6727-Volasertib.html

$$$$
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PI3K 

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900185-02-6

>  <URL> (222)
http://www.selleckchem.com/products/PIK-294.html

$$$$
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Telatinib (BAY 57-9352)

>  <Synonyms> (223)
N/A 

>  <Target> (223)
VEGFR, PDGFR, c-Kit

>  <Form> (223)
Free Base

>  <CAS> (223)
332012-40-5

>  <URL> (223)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

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Phenformin hydrochloride.cdx
csChFnd80/09132414022D

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240

>  <Formula> (224)
C10H16ClN5

>  <MolWeight> (224)
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S2542

>  <Name> (224)
Phenformin hydrochloride 

>  <Synonyms> (224)
N/A

>  <Target> (224)
AMPK

>  <Form> (224)
Hydrochloride 

>  <CAS> (224)
834-28-6

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

$$$$
AZD5438.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (225)
241

>  <Formula> (225)
C18H21N5O2S

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371.45664

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S2621

>  <Name> (225)
AZD5438

>  <Synonyms> (225)
N/A 

>  <Target> (225)
CDK

>  <Form> (225)
Free Base

>  <CAS> (225)
602306-29-6 

>  <URL> (225)
http://www.selleckchem.com/products/AZD5438.html

$$$$
OSI-027.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (226)
242

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C21H22N6O3

>  <MolWeight> (226)
406.43778

>  <Cat> (226)
S2624

>  <Name> (226)
OSI-027

>  <Synonyms> (226)
N/A 

>  <Target> (226)
mTOR

>  <Form> (226)
Free Base

>  <CAS> (226)
936890-98-1

>  <URL> (226)
http://www.selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/09132414022D

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243

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C17H17N7

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>  <Name> (227)
PP-121

>  <Synonyms> (227)
N/A

>  <Target> (227)
DNA-PK, mTOR, PDGF

>  <Form> (227)
Free Base

>  <CAS> (227)
1092788-83-4

>  <URL> (227)
http://www.selleckchem.com/products/PP121.html

$$$$
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csChFnd80/09132414022D

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>  <Mol_ID> (228)
245

>  <Formula> (228)
C11H18ClNO3

>  <MolWeight> (228)
247.71852

>  <Cat> (228)
S2566

>  <Name> (228)
Isoprenaline hydrochloride

>  <Synonyms> (228)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (228)
Adrenergic Receptor

>  <Form> (228)
Hydrochloride

>  <CAS> (228)
51-30-9

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

$$$$
BKM-120.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (229)
246

>  <Formula> (229)
C18H21F3N6O2

>  <MolWeight> (229)
410.3935496

>  <Cat> (229)
S2247

>  <Name> (229)
BKM120 (NVP-BKM120)

>  <Synonyms> (229)
N/A 

>  <Target> (229)
PI3K

>  <Form> (229)
Free Base

>  <CAS> (229)
944396-07-0

>  <URL> (229)
http://www.selleckchem.com/products/BKM-120.html

$$$$
CX-4945.cdx
csChFnd80/09132414022D

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247

>  <Formula> (230)
C19H12ClN3O2

>  <MolWeight> (230)
349.77048

>  <Cat> (230)
S2248

>  <Name> (230)
cx-4945 (Silmitasertib)

>  <Synonyms> (230)
N/A 

>  <Target> (230)
PKC

>  <Form> (230)
Free Base

>  <CAS> (230)
1009820-21-6

>  <URL> (230)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

$$$$
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csChFnd80/09132414022D

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>  <Mol_ID> (231)
248

>  <Formula> (231)
C22H19N5O

>  <MolWeight> (231)
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>  <Cat> (231)
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>  <Name> (231)
Galunisertib (LY2157299)

>  <Synonyms> (231)
N/A 

>  <Target> (231)
TGF-beta/Smad

>  <Form> (231)
Free Base

>  <CAS> (231)
700874-72-2

>  <URL> (231)
http://www.selleckchem.com/products/ly2157299.html

$$$$
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csChFnd80/09132414022D

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249

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1035555-63-5

>  <URL> (232)
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$$$$
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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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1001350-96-4

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

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601514-19-6

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

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$$$$
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>  <Name> (260)
Apitolisib (GDC-0980, RG7422)

>  <Synonyms> (260)
N/A 

>  <Target> (260)
mTOR, PI3K

>  <Form> (260)
Free Base

>  <CAS> (260)
1032754-93-0

>  <URL> (260)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

$$$$
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csChFnd80/09132414022D

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280

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C21H21Cl2NO5

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>  <Cat> (261)
S2679

>  <Name> (261)
Flavopiridol (Alvocidib) HCl

>  <Synonyms> (261)
N/A

>  <Target> (261)
CDK

>  <Form> (261)
Hydrochloride

>  <CAS> (261)
131740-09-5

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

$$$$
PH797804.cdx
csChFnd80/09132414022D

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>  <Formula> (262)
C22H19BrF2N2O3

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477.2986664

>  <Cat> (262)
S2726

>  <Name> (262)
PH-797804

>  <Synonyms> (262)
N/A

>  <Target> (262)
p38 MAPK

>  <Form> (262)
Free Base

>  <CAS> (262)
586379-66-0

>  <URL> (262)
http://www.selleckchem.com/products/ph-797804.html

$$$$
PF299804.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (263)
282

>  <Formula> (263)
C24H25ClFN5O2

>  <MolWeight> (263)
469.9390032

>  <Cat> (263)
S2727

>  <Name> (263)
Dacomitinib (PF299804, PF-00299804)

>  <Synonyms> (263)
N/A

>  <Target> (263)
EGFR

>  <Form> (263)
Free Base

>  <CAS> (263)
1110813-31-4

>  <URL> (263)
http://www.selleckchem.com/products/pf299804.html

$$$$
SB415286.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (269)
288

>  <Formula> (269)
C16H14ClN3O2

>  <MolWeight> (269)
315.75426

>  <Cat> (269)
S2728

>  <Name> (269)
AG-1478 (Tyrphostin AG-1478)

>  <Synonyms> (269)
Tyrphostin AG-1478

>  <Target> (269)
EGFR

>  <Form> (269)
Free Base

>  <CAS> (269)
153436-53-4

>  <URL> (269)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
PF-04691502.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (270)
289

>  <Formula> (270)
C22H27N5O4

>  <MolWeight> (270)
425.48088

>  <Cat> (270)
S2743

>  <Name> (270)
PF-04691502

>  <Synonyms> (270)
N/A

>  <Target> (270)
mTOR, PI3K, Akt

>  <Form> (270)
Free Base

>  <CAS> (270)
1013101-36-4 

>  <URL> (270)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Benidipine hydrochloride.cdx
csChFnd80/09132414022D

 38 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (271)
290

>  <Formula> (271)
C28H32ClN3O6

>  <MolWeight> (271)
542.02318

>  <Cat> (271)
S2017

>  <Name> (271)
Benidipine hydrochloride

>  <Synonyms> (271)
N/A

>  <Target> (271)
calcium channel

>  <Form> (271)
Hydrochloride

>  <CAS> (271)
91599-74-5

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

$$$$
Lonidamine.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (272)
291

>  <Formula> (272)
C15H10Cl2N2O2

>  <MolWeight> (272)
321.1581

>  <Cat> (272)
S2610

>  <Name> (272)
Lonidamine

>  <Synonyms> (272)
N/A

>  <Target> (272)
Others

>  <Form> (272)
Free Base

>  <CAS> (272)
50264-69-2

>  <URL> (272)
http://www.selleckchem.com/products/lonidamine.html

$$$$
CP 673451.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (273)
292

>  <Formula> (273)
C24H27N5O2

>  <MolWeight> (273)
417.50348

>  <Cat> (273)
S1536

>  <Name> (273)
CP 673451

>  <Synonyms> (273)
CP673451 

>  <Target> (273)
Others

>  <Form> (273)
Free Base

>  <CAS> (273)
343787-29-1

>  <URL> (273)
http://www.selleckchem.com/products/CP-673451.html

$$$$
Acarbose.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (274)
293

>  <Formula> (274)
C25H43NO18

>  <MolWeight> (274)
645.60482

>  <Cat> (274)
S1271

>  <Name> (274)
Acarbose

>  <Synonyms> (274)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (274)
Others

>  <Form> (274)
Free Base

>  <CAS> (274)
56180-94-0

>  <URL> (274)
http://www.selleckchem.com/products/Acarbose.html

$$$$
ALPHACAINE (lidocaine).cdx
csChFnd80/09132414022D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (275)
294

>  <Formula> (275)
C14H22N2O

>  <MolWeight> (275)
234.33728

>  <Cat> (275)
S1357

>  <Name> (275)
Lidocaine (Alphacaine)

>  <Synonyms> (275)
Alphacaine, Xylocaine, lignocaine

>  <Target> (275)
Histamine Receptor

>  <Form> (275)
Free Base

>  <CAS> (275)
137-58-6

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

$$$$
PHA.cdx
csChFnd80/09132414022D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (276)
295

>  <Formula> (276)
C12H11N3O

>  <MolWeight> (276)
213.23524

>  <Cat> (276)
S2742

>  <Name> (276)
PHA-767491

>  <Synonyms> (276)
N/A 

>  <Target> (276)
CDK

>  <Form> (276)
Free Base

>  <CAS> (276)
845714-00-3

>  <URL> (276)
http://www.selleckchem.com/products/pha-767491.html

$$$$
Sodium salicylate.cdx
csChFnd80/09132414022D

 11 10  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  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (277)
296

>  <Formula> (277)
C7H6NaO3

>  <MolWeight> (277)
161.11051

>  <Cat> (277)
S3137

>  <Name> (277)
Sodium salicylate

>  <Synonyms> (277)
N/A 

>  <Target> (277)
NF-¦ÊB

>  <Form> (277)
sodium salt

>  <CAS> (277)
54-21-7

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

$$$$
TPCA-1.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (292)
311

>  <Formula> (292)
C19H23F2N5O2

>  <MolWeight> (292)
391.4150264

>  <Cat> (292)
S2843

>  <Name> (292)
BI-D1870

>  <Synonyms> (292)
N/A

>  <Target> (292)
S6 Kinase

>  <Form> (292)
Free Base

>  <CAS> (292)
501437-28-1

>  <URL> (292)
http://www.selleckchem.com/products/bi-d1870.html

$$$$
ZM323881 HCl.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (293)
313

>  <Formula> (293)
C22H19ClFN3O2

>  <MolWeight> (293)
411.8565632

>  <Cat> (293)
S2896

>  <Name> (293)
ZM 323881 HCl

>  <Synonyms> (293)
N/A

>  <Target> (293)
VEGFR

>  <Form> (293)
Hydrochloride

>  <CAS> (293)
193000-39-4

>  <URL> (293)
http://www.selleckchem.com/products/zm-323881-hcl.html

$$$$
ZM306416.cdx
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (294)
314

>  <Formula> (294)
C16H13ClFN3O2

>  <MolWeight> (294)
333.7447232

>  <Cat> (294)
S2897

>  <Name> (294)
ZM 306416

>  <Synonyms> (294)
N/A

>  <Target> (294)
VEGFR

>  <Form> (294)
Free Base

>  <CAS> (294)
690206-97-4

>  <URL> (294)
http://www.selleckchem.com/products/zm-306416.html

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/09132414022D

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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (295)
316

>  <Formula> (295)
C19H21ClFNO3

>  <MolWeight> (295)
365.8263432

>  <Cat> (295)
S3005

>  <Name> (295)
Paroxetine HCl

>  <Synonyms> (295)
N/A

>  <Target> (295)
5-HT Receptor

>  <Form> (295)
Hydrochloride

>  <CAS> (295)
78246-49-8

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

$$$$
PF477736.cdx
csChFnd80/09132414022D

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610798-31-7

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

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 26 21  1  0  0  0  0
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M  END
>  <Mol_ID> (305)
326

>  <Formula> (305)
C20H22BrCl2N3O2S

>  <MolWeight> (305)
519.28258

>  <Cat> (305)
S1582

>  <Name> (305)
H 89 2HCl

>  <Synonyms> (305)
N/A

>  <Target> (305)
S6 Kinase

>  <Form> (305)
Dihydrochloride

>  <CAS> (305)
130964-39-5

>  <URL> (305)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

$$$$
Oxfendazole.cdx
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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   11.5175    4.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6102    5.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    5.2116    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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 14  2  1  0  0  0  0
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 17 12  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (306)
327

>  <Formula> (306)
C15H13N3O3S

>  <MolWeight> (306)
315.34702

>  <Cat> (306)
S1830

>  <Name> (306)
Oxfendazole

>  <Synonyms> (306)
N/A

>  <Target> (306)
Antifection

>  <Form> (306)
Free Base

>  <CAS> (306)
53716-50-0

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

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/09132414022D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    1.3976    0.0000 O   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
    6.0538    1.3951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  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
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 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (307)
328

>  <Formula> (307)
C18H23Cl2NO

>  <MolWeight> (307)
340.28732

>  <Cat> (307)
S2499

>  <Name> (307)
Phenoxybenzamine HCl

>  <Synonyms> (307)
N/A

>  <Target> (307)
Androgen Receptor

>  <Form> (307)
HCl

>  <CAS> (307)
63-92-3

>  <URL> (307)
http://www.selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

$$$$
Pazopanib.cdx
csChFnd80/09132414022D

 31 34  0  0  0  0  0  0  0  0999 V2000
   14.4663    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6787    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6787    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8912    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> (308)
329

>  <Formula> (308)
C21H23N7O2S

>  <MolWeight> (308)
437.51802

>  <Cat> (308)
S3012

>  <Name> (308)
Pazopanib

>  <Synonyms> (308)
N/A

>  <Target> (308)
VEGFR

>  <Form> (308)
Free Base

>  <CAS> (308)
444731-52-6

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

$$$$
GNF-2.cdx
csChFnd80/09132414022D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (309)
331

>  <Formula> (309)
C18H13F3N4O2

>  <MolWeight> (309)
374.3166296

>  <Cat> (309)
S2899

>  <Name> (309)
GNF-2

>  <Synonyms> (309)
N/A

>  <Target> (309)
Bcr-Abl

>  <Form> (309)
Free Base

>  <CAS> (309)
778270-11-4

>  <URL> (309)
http://www.selleckchem.com/products/gnf-2.html

$$$$
OSI-906.cdx
csChFnd80/09132414022D

 32 37  0  0  0  0  0  0  0  0999 V2000
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332

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C26H23N5O

>  <MolWeight> (310)
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S1091

>  <Name> (310)
OSI-906 (Linsitinib)

>  <Synonyms> (310)
N/A

>  <Target> (310)
IGF-1R

>  <Form> (310)
Free Base

>  <CAS> (310)
867160-71-2

>  <URL> (310)
http://www.selleckchem.com/products/OSI-906.html

$$$$
aicar.cdx
csChFnd80/09132414022D

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333

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C9H14N4O5

>  <MolWeight> (311)
258.23126

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S1802

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AICAR (Acadesine)

>  <Synonyms> (311)
AICAR, AICA-riboside

>  <Target> (311)
AMPK

>  <Form> (311)
Free Base

>  <CAS> (311)
2627-69-2

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

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/09132414022D

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334

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C32H30FN3O10

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635.5931032

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S4001

>  <Name> (312)
Cabozantinib malate

>  <Synonyms> (312)
N/A

>  <Target> (312)
VEGFR

>  <Form> (312)
Malate

>  <CAS> (312)
1140909-48-3

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

$$$$
PF-04708671.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (313)
335

>  <Formula> (313)
C19H21F3N6

>  <MolWeight> (313)
390.4054496

>  <Cat> (313)
S2163

>  <Name> (313)
PF-4708671

>  <Synonyms> (313)
PF-04708671

>  <Target> (313)
S6 Kinase

>  <Form> (313)
Free Base

>  <CAS> (313)
1255517-76-0

>  <URL> (313)
http://www.selleckchem.com/products/pf-4708671.html

$$$$
sennoside B.cdx
csChFnd80/09132414022D

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337

>  <Formula> (314)
C42H38O20

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862.73912

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Sennoside B

>  <Synonyms> (314)
N/A

>  <Target> (314)
Others

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Free Base

>  <CAS> (314)
128-57-4

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

$$$$
JNK-IN-8.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (315)
338

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C29H29N7O2

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507.58626

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S4901

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JNK-IN-8

>  <Synonyms> (315)
N/A

>  <Target> (315)
Free Base

>  <Form> (315)
Free Base

>  <CAS> (315)
1410880-22-6

>  <URL> (315)
http://www.selleckchem.com/products/jnk-in-8.html

$$$$
SC-514.cdx
csChFnd80/09132414022D

 14 15  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (316)
339

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224.30262

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SC-514 

>  <Synonyms> (316)
N/A

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I¦ÊB/IKK

>  <Form> (316)
Free Base

>  <CAS> (316)
354812-17-2

>  <URL> (316)
http://www.selleckchem.com/products/sc-514.html

$$$$
Doxapram HCl.cdx
csChFnd80/09132414022D

 30 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (317)
340

>  <Formula> (317)
C24H33ClN2O3

>  <MolWeight> (317)
432.98342

>  <Cat> (317)
S4037

>  <Name> (317)
Doxapram HCl

>  <Synonyms> (317)
N/A

>  <Target> (317)
Potassium Channel

>  <Form> (317)
HCl

>  <CAS> (317)
7081-53-0

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

$$$$
nifuroxazide.cdx
csChFnd80/09132414022D

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STAT

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965-52-6

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

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MDBN.cdx
csChFnd80/09132414022D

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1485-00-3

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

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VX-745.cdx
csChFnd80/09132414022D

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VX-745

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N/A

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p38 MAPK 

>  <Form> (320)
Free Base

>  <CAS> (320)
209410-46-8

>  <URL> (320)
http://www.selleckchem.com/products/VX-745.html

$$$$
untitled.cdx
csChFnd80/09132414022D

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Triciribine

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Akt

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35943-35-2

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

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/09132414022D

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VEGFR

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480-18-2

>  <URL> (322)
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$$$$
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C14H10F3NO2

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Flufenamic acid

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N/A

>  <Target> (323)
COX

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Free Base

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530-78-9

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

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/09132414022D

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347

>  <Formula> (324)
C19H20F3IN2O5S

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572.3371796

>  <Cat> (324)
S1089

>  <Name> (324)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (324)
BAY 869766

>  <Target> (324)
MEK

>  <Form> (324)
Free Base

>  <CAS> (324)
923032-37-5

>  <URL> (324)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
Dicoumarol.cdx
csChFnd80/09132414022D

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348

>  <Formula> (325)
C19H12O6

>  <MolWeight> (325)
336.29498

>  <Cat> (325)
S4299

>  <Name> (325)
Dicoumarol

>  <Synonyms> (325)
Dicumarol

>  <Target> (325)
Others

>  <Form> (325)
Free Base

>  <CAS> (325)
66-76-2

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

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/09132414022D

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349

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C24H25ClFN5O3

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>  <Name> (326)
Afatinib (BIBW2992)

>  <Synonyms> (326)
N/A

>  <Target> (326)
EGFR

>  <Form> (326)
Free Base

>  <CAS> (326)
439081-18-2

>  <URL> (326)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (327)
350

>  <Formula> (327)
C44H69NO12

>  <MolWeight> (327)
804.01816

>  <Cat> (327)
S5003

>  <Name> (327)
Tacrolimus (FK506)

>  <Synonyms> (327)
FR900506

>  <Target> (327)
mTOR

>  <Form> (327)
Free Base

>  <CAS> (327)
104987-11-3

>  <URL> (327)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (328)
352

>  <Formula> (328)
C56H87NO16

>  <MolWeight> (328)
1030.28708

>  <Cat> (328)
S1044

>  <Name> (328)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (328)
N/A

>  <Target> (328)
mTOR

>  <Form> (328)
Free Base

>  <CAS> (328)
162635-04-3

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

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/09132414022D

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ENMD-2076 L-(+)-Tartaric acid

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N/A

>  <Target> (329)
FLT3

>  <Form> (329)
Free Base

>  <CAS> (329)
1291074-87-7

>  <URL> (329)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

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PF-2341066.cdx
csChFnd80/09132414022D

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354

>  <Formula> (330)
C21H22Cl2FN5O

>  <MolWeight> (330)
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>  <Cat> (330)
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>  <Name> (330)
Crizotinib (PF-02341066)

>  <Synonyms> (330)
N/A 

>  <Target> (330)
c-Met, ALK

>  <Form> (330)
Free Base

>  <CAS> (330)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (330)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
BMS-599626 (AC480).cdx
csChFnd80/09132414022D

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355

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C27H27FN8O3

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AC480 (BMS-599626)

>  <Synonyms> (331)
N/A

>  <Target> (331)
HER2

>  <Form> (331)
Free Base

>  <CAS> (331)
714971-09-2

>  <URL> (331)
http://www.selleckchem.com/products/BMS-599626.html

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (332)
357

>  <Formula> (332)
C21H20ClNO5

>  <MolWeight> (332)
401.8402

>  <Cat> (332)
S1230

>  <Name> (332)
Flavopiridol (Alvocidib)

>  <Synonyms> (332)
NSC 649890 HCl,HMR-1275

>  <Target> (332)
CDK

>  <Form> (332)
Free Base

>  <CAS> (332)
146426-40-6

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

$$$$
6-Benzylaminopurine.cdx
csChFnd80/09132414022D

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358

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C12H11N5

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6-Benzylaminopurine

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N/A

>  <Target> (333)
Others

>  <Form> (333)
Free Base

>  <CAS> (333)
1214-39-7

>  <URL> (333)
http://www.selleckchem.com/products/6-benzylaminopurine.html

$$$$

csChFnd80/09132414022D

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    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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> (334)
359

>  <Formula> (334)
C6H13Li3O11

>  <MolWeight> (334)
281.98382

>  <Cat> (334)
S4519

>  <Name> (334)
Citric acid trilithium salt tetrahydrate

>  <Synonyms> (334)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (334)
Others

>  <Form> (334)
Free Base

>  <CAS> (334)
6080-58-6

>  <URL> (334)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

$$$$
Danthron.cdx
csChFnd80/09132414022D

 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> (335)
360

>  <Formula> (335)
C14H8O4

>  <MolWeight> (335)
240.21092

>  <Cat> (335)
S4561

>  <Name> (335)
Danthron

>  <Synonyms> (335)
chrysazin, Antrapurol

>  <Target> (335)
Others

>  <Form> (335)
Free Base

>  <CAS> (335)
117-10-2

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

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/09132414022D

 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> (336)
361

>  <Formula> (336)
C14H23ClN2O

>  <MolWeight> (336)
270.79822

>  <Cat> (336)
S4667

>  <Name> (336)
Lidocaine hydrochloride

>  <Synonyms> (336)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (336)
Others

>  <Form> (336)
hydrochloride

>  <CAS> (336)
73-78-9

>  <URL> (336)
http://www.selleckchem.com/products/lidocaine-hydrochloride.html

$$$$
S4711 Esculetin.cdx
csChFnd80/09132414022D

 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> (337)
362

>  <Formula> (337)
C9H6O4

>  <MolWeight> (337)
178.14154

>  <Cat> (337)
S4711

>  <Name> (337)
Esculetin

>  <Synonyms> (337)
Cichorigenin|Aesculetin

>  <Target> (337)
Others

>  <Form> (337)
Free Base

>  <CAS> (337)
305-01-1

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

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/09132414022D

 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> (338)
363

>  <Formula> (338)
C6H12O5

>  <MolWeight> (338)
164.15648

>  <Cat> (338)
S4701

>  <Name> (338)
2-Deoxy-D-glucose

>  <Synonyms> (338)
2-deoxyglucose, NSC 15193

>  <Target> (338)
Others

>  <Form> (338)
Free Base

>  <CAS> (338)
154-17-6

>  <URL> (338)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/09132414022D

 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> (339)
364

>  <Formula> (339)
C21H26ClN3OS

>  <MolWeight> (339)
403.96864

>  <Cat> (339)
S4731

>  <Name> (339)
Perphenazine

>  <Synonyms> (339)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (339)
Dopamine Receptor

>  <Form> (339)
Free Base

>  <CAS> (339)
58-39-9

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

$$$$

csChFnd80/09132414022D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.2532    2.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8284    3.5853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4607    3.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5179    2.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9428    1.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3105    1.2163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3746    0.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5329    1.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454    2.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454    3.7675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9578    1.6675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1702    2.3675    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3826    1.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5950    2.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5952    3.7673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3827    4.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1703    3.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8076    4.4673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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1919820-28-2

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PDGFR

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15421-84-8

>  <URL> (341)
http://www.selleckchem.com/products/trapidil.html

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S4743 Wogonin.cdx
csChFnd80/09132414022D

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367

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Wogonin

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Vogonin

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CDK

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Free Base

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632-85-9

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

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csChFnd80/09132414022D

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859212-16-1

>  <URL> (343)
http://www.selleckchem.com/products/Bafetinib.html

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M  END
>  <Mol_ID> (344)
369

>  <Formula> (344)
C37H42Cl2N2O6

>  <MolWeight> (344)
681.64518

>  <Cat> (344)
S3609

>  <Name> (344)
Berbamine (dihydrochloride)

>  <Synonyms> (344)
N/A

>  <Target> (344)
NF-¦ÊB,bcr/abl

>  <Form> (344)
dihydrochloride

>  <CAS> (344)
6078-17-7

>  <URL> (344)
http://www.selleckchem.com/products/berbamine-dihydrochloride.html

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/09132414022D

 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
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M  END
>  <Mol_ID> (345)
370

>  <Formula> (345)
C18H16O8

>  <MolWeight> (345)
360.31484

>  <Cat> (345)
S3612

>  <Name> (345)
Rosmarinic acid

>  <Synonyms> (345)
Rosemary acid

>  <Target> (345)
IKK ¦Â

>  <Form> (345)
free base

>  <CAS> (345)
20283-92-5

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

$$$$
S3606 Fangchinoline.cdx
csChFnd80/09132414022D

 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
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   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
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   11.2414   10.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5568    7.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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 29 34  1  1  0  0  0
 29 35  1  0  0  0  0
 31 36  1  0  0  0  0
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 35 40  1  0  0  0  0
 35 38  1  0  0  0  0
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M  END
>  <Mol_ID> (346)
371

>  <Formula> (346)
C37H40N2O6

>  <MolWeight> (346)
608.7233

>  <Cat> (346)
S3606

>  <Name> (346)
Fangchinoline

>  <Synonyms> (346)
N/A

>  <Target> (346)
HIV-1

>  <Form> (346)
free base

>  <CAS> (346)
33889-68-8

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

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/09132414022D

  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> (347)
372

>  <Formula> (347)
C4H7NO2

>  <MolWeight> (347)
101.10388

>  <Cat> (347)
S3699

>  <Name> (347)
2,3-Butanedione-2-monoxime

>  <Synonyms> (347)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (347)
skeletal muscle myosin-II

>  <Form> (347)
free base

>  <CAS> (347)
57-71-6

>  <URL> (347)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/09132414022D

 70 77  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (348)
373

>  <Formula> (348)
C48H78O19

>  <MolWeight> (348)
959.12152

>  <Cat> (348)
S3616

>  <Name> (348)
Asiaticoside

>  <Synonyms> (348)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (348)
Others

>  <Form> (348)
free base

>  <CAS> (348)
16830-15-2

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

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (349)
374

>  <Formula> (349)
C37H40N2O6

>  <MolWeight> (349)
608.7233

>  <Cat> (349)
S3611

>  <Name> (349)
(+)-Fangchinoline

>  <Synonyms> (349)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (349)
Others

>  <Form> (349)
free base

>  <CAS> (349)
436-77-1

>  <URL> (349)
http://www.selleckchem.com/products/s-s-fangchinoline.html

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    3.1858    3.5533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (350)
375

>  <Formula> (350)
C15H18O2

>  <MolWeight> (350)
230.30222

>  <Cat> (350)
S3615

>  <Name> (350)
Dehydrocostus Lactone

>  <Synonyms> (350)
N/A

>  <Target> (350)
 IKK¦Â

>  <Form> (350)
free base

>  <CAS> (350)
477-43-0

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

$$$$
S3610 Cordycepin.cdx
csChFnd80/09132414022D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (351)
376

>  <Formula> (351)
C10H13N5O3

>  <MolWeight> (351)
251.24192

>  <Cat> (351)
S3610

>  <Name> (351)
Cordycepin

>  <Synonyms> (351)
N/A

>  <Target> (351)
Others

>  <Form> (351)
free base

>  <CAS> (351)
73-03-0

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

$$$$
S3626 Sesamol.cdx
csChFnd80/09132414022D

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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (352)
377

>  <Formula> (352)
C7H6O3

>  <MolWeight> (352)
138.12074

>  <Cat> (352)
S3626

>  <Name> (352)
Sesamol

>  <Synonyms> (352)
1,3-Benzodioxol-5-ol, 3,4-Methylenedioxyphenol

>  <Target> (352)
Others

>  <Form> (352)
free base

>  <CAS> (352)
533-31-3

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

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/09132414022D

 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> (353)
378

>  <Formula> (353)
C11H8O3

>  <MolWeight> (353)
188.17942

>  <Cat> (353)
S3661

>  <Name> (353)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (353)
N/A

>  <Target> (353)
PKC

>  <Form> (353)
free base

>  <CAS> (353)
2348-82-5

>  <URL> (353)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3648 Amlexanox.cdx
csChFnd80/09132414022D

 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> (354)
379

>  <Formula> (354)
C16H14N2O4

>  <MolWeight> (354)
298.29336

>  <Cat> (354)
S3648

>  <Name> (354)
Amlexanox

>  <Synonyms> (354)
AA-673, CHX-3673

>  <Target> (354)
TBK1,IKK-¦Å

>  <Form> (354)
free base

>  <CAS> (354)
68302-57-8

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

$$$$
S3666 Ilaprazole.cdx
csChFnd80/09132414022D

 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> (355)
380

>  <Formula> (355)
C19H18N4O2S

>  <MolWeight> (355)
366.43682

>  <Cat> (355)
S3666

>  <Name> (355)
Ilaprazole

>  <Synonyms> (355)
IY-81149

>  <Target> (355)
Proton pump,TOPK 

>  <Form> (355)
free base

>  <CAS> (355)
172152-36-2

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

$$$$
S3939 4'-Methoxyresveratrol.cdx
csChFnd80/09132414022D

 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> (356)
381

>  <Formula> (356)
C15H14O3

>  <MolWeight> (356)
242.26986

>  <Cat> (356)
S3939

>  <Name> (356)
4'-Methoxyresveratrol

>  <Synonyms> (356)
N/A

>  <Target> (356)
Others

>  <Form> (356)
free base

>  <CAS> (356)
33626-08-3

>  <URL> (356)
http://www.selleckchem.com/products/4-methoxyresveratrol.html

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/09132414022D

 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> (357)
382

>  <Formula> (357)
C16H16O4

>  <MolWeight> (357)
272.29584

>  <Cat> (357)
S3940

>  <Name> (357)
3'-Hydroxypterostilbene

>  <Synonyms> (357)
3'-HPT

>  <Target> (357)
Others

>  <Form> (357)
free base

>  <CAS> (357)
475231-21-1

>  <URL> (357)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/09132414022D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.5458    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    2.1429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1209    2.8429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9085    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    4.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173    4.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9749    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2155    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9804    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7583    0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3742    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4280    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  4  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (358)
383

>  <Formula> (358)
C18H22O4

>  <MolWeight> (358)
302.36488

>  <Cat> (358)
S3984

>  <Name> (358)
Nordihydroguaiaretic acid

>  <Synonyms> (358)
N/A

>  <Target> (358)
lipoxygenase

>  <Form> (358)
free base

>  <CAS> (358)
500-38-9

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

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/09132414022D

 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> (359)
384

>  <Formula> (359)
C6H13NO4

>  <MolWeight> (359)
163.17172

>  <Cat> (359)
S3839

>  <Name> (359)
1-Deoxynojirimycin

>  <Synonyms> (359)
duvoglustat, moranolin

>  <Target> (359)
¦Á-glucosidase

>  <Form> (359)
free base

>  <CAS> (359)
19130-96-2

>  <URL> (359)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/09132414022D

 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> (360)
385

>  <Formula> (360)
C13H13ClN2O

>  <MolWeight> (360)
248.70812

>  <Cat> (360)
S3817

>  <Name> (360)
Harmine hydrochloride

>  <Synonyms> (360)
telepathine hydrochloride

>  <Target> (360)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (360)
hydrochloride

>  <CAS> (360)
343-27-1

>  <URL> (360)
http://www.selleckchem.com/products/harmine-hydrochloride.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2615    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    4.8534    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8657    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2615    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8657    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    2.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9660    7.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1018    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2136    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
  8 10  1  1  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 18  3  2  0  0  0  0
 19 12  2  0  0  0  0
 20 15  2  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
  7 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (361)
386

>  <Formula> (361)
C19H20O5

>  <MolWeight> (361)
328.3591

>  <Cat> (361)
S3819

>  <Name> (361)
Decursinol angelate

>  <Synonyms> (361)
N/A

>  <Target> (361)
PKC

>  <Form> (361)
free base

>  <CAS> (361)
130848-06-5

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

$$$$
S3824 Quercitrin.cdx
csChFnd80/09132414022D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    6.9967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4927    8.3967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    6.2935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7070    9.0935    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2821    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9138    6.9902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9175    8.3902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7107   10.4935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1318    9.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
 12  6  1  1  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  6  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  6  0  0  0
 26 31  1  6  0  0  0
 26 29  1  0  0  0  0
 29 32  1  1  0  0  0
M  END
>  <Mol_ID> (362)
387

>  <Formula> (362)
C21H20O11

>  <MolWeight> (362)
448.3769

>  <Cat> (362)
S3824

>  <Name> (362)
Quercitrin

>  <Synonyms> (362)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (362)
Others

>  <Form> (362)
free base

>  <CAS> (362)
522-12-3

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

$$$$
S3836 6-Gingerol.cdx
csChFnd80/09132414022D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.8540    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4914    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    4.8939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9162    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1287    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3411    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5535    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7660    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    2.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    2.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    4.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    4.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
  1 12  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (363)
388

>  <Formula> (363)
C17H26O4

>  <MolWeight> (363)
294.38594

>  <Cat> (363)
S3836

>  <Name> (363)
6-Gingerol

>  <Synonyms> (363)
CI-1011

>  <Target> (363)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (363)
free base

>  <CAS> (363)
23513-14-6

>  <URL> (363)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/09132414022D

 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
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 10  3  1  0  0  0  0
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 11  7  1  0  0  0  0
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 20  8  2  0  0  0  0
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M  END
>  <Mol_ID> (364)
389

>  <Formula> (364)
C19H17NaO6S

>  <MolWeight> (364)
396.38945

>  <Cat> (364)
S3766

>  <Name> (364)
Tanshinone IIA sulfonate (sodium)

>  <Synonyms> (364)
N/A

>  <Target> (364)
CYP3A4

>  <Form> (364)
sodium salt

>  <CAS> (364)
69659-80-9

>  <URL> (364)
http://www.selleckchem.com/products/tanshinone-iia-sulfonate-sodium.html

$$$$
S3759 Norcantharidin.cdx
csChFnd80/09132414022D

 12 14  0  0  0  0  0  0  0  0999 V2000
    0.2182    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    1.4028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5609    1.7635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5640    3.1635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2213    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.8028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.5026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7168    2.4587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444    3.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4040    4.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  9 10  1  0  0  0  0
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  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (365)
390

>  <Formula> (365)
C8H8O4

>  <MolWeight> (365)
168.14672

>  <Cat> (365)
S3759

>  <Name> (365)
Norcantharidin

>  <Synonyms> (365)
Endothall anhydride

>  <Target> (365)
c-Met,EGFR

>  <Form> (365)
free base

>  <CAS> (365)
29745-04-8

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

$$$$
S3783 Echinacoside.cdx
csChFnd80/09132414022D

 55 59  0  0  0  0  0  0  0  0999 V2000
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   11.9140    1.2133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.4000    9.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8912   10.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.2912   10.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 32  1  0  0  0  0
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 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
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 33 39  1  0  0  0  0
 35 42  2  0  0  0  0
 36 43  1  0  0  0  0
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M  END
>  <Mol_ID> (366)
391

>  <Formula> (366)
C35H46O20

>  <MolWeight> (366)
786.72774

>  <Cat> (366)
S3783

>  <Name> (366)
Echinacoside

>  <Synonyms> (366)
N/A

>  <Target> (366)
Others

>  <Form> (366)
free base

>  <CAS> (366)
82854-37-3

>  <URL> (366)
http://www.selleckchem.com/products/echinacoside.html

$$$$
S3784 Obacunone.cdx
csChFnd80/09132414022D

 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
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    8.1413    6.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    3.4920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
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M  END
>  <Mol_ID> (367)
392

>  <Formula> (367)
C26H30O7

>  <MolWeight> (367)
454.5122

>  <Cat> (367)
S3784

>  <Name> (367)
Obacunone

>  <Synonyms> (367)
N/A

>  <Target> (367)
Nrf2,Aromatase

>  <Form> (367)
free base

>  <CAS> (367)
751-03-1

>  <URL> (367)
http://www.selleckchem.com/products/obacunone.html

$$$$
S3786 Glabridin.cdx
csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.8248    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347    3.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6150    3.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2747    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6150    0.6478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1241    6.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3392    7.6773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0395    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (368)
393

>  <Formula> (368)
C20H20O4

>  <MolWeight> (368)
324.3704

>  <Cat> (368)
S3786

>  <Name> (368)
Glabridin

>  <Synonyms> (368)
Q-100692, KB-289522, LS-176045

>  <Target> (368)
PPAR¦Ã,¦Á1¦Â2¦Ã2,¦Á1¦Â3¦Ã2,¦Á1¦Â2,¦Á1¦Â1¦Ã2

>  <Form> (368)
free base

>  <CAS> (368)
59870-68-7

>  <URL> (368)
http://www.selleckchem.com/products/glabridin.html

$$$$
S3787 Picroside I.cdx
csChFnd80/09132414022D

 38 42  0  0  0  0  0  0  0  0999 V2000
   15.8873    5.8563    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7069    6.9896    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5571    6.2863    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.2798    5.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5998    4.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8844    8.1151    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5571    7.6825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3438    5.5857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.3143    9.4475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3495    8.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3438    4.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1261    6.2888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1468    7.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 11  1  6  0  0  0
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 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 19  1  6  0  0  0
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 14 28  1  6  0  0  0
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 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
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 37 38  2  0  0  0  0
 38 33  1  0  0  0  0
M  END
>  <Mol_ID> (369)
394

>  <Formula> (369)
C24H28O11

>  <MolWeight> (369)
492.47252

>  <Cat> (369)
S3787

>  <Name> (369)
Picroside I

>  <Synonyms> (369)
6'-Cinnamoylcatalpol

>  <Target> (369)
Antifection

>  <Form> (369)
free base

>  <CAS> (369)
27409-30-9

>  <URL> (369)
http://www.selleckchem.com/products/picroside-i.html

$$$$
S3918 4',7-Dimethoxy-5-Hydroxyflavone.cdx
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  2  0  0  0  0
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (370)
395

>  <Formula> (370)
C17H14O5

>  <MolWeight> (370)
298.29006

>  <Cat> (370)
S3918

>  <Name> (370)
4',7-Dimethoxy-5-Hydroxyflavone

>  <Synonyms> (370)
apigenin dimethylether; apigenin 7,4'-dimethyl ether; genkwanin 4'-methyl ether

>  <Target> (370)
Others

>  <Form> (370)
free base

>  <CAS> (370)
5128-44-9

>  <URL> (370)
http://www.selleckchem.com/products/4-7-dimethoxy-5-hydroxyflavone.html

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/09132414022D

 72 78  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (371)
396

>  <Formula> (371)
C48H82O18

>  <MolWeight> (371)
947.15388

>  <Cat> (371)
S3811

>  <Name> (371)
Ginsenoside Re

>  <Synonyms> (371)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (371)
Others

>  <Form> (371)
free base

>  <CAS> (371)
52286-59-6

>  <URL> (371)
http://www.selleckchem.com/products/ginsenoside-re.html

$$$$
S3881 Scopoletin.cdx
csChFnd80/09132414022D

 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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    3.6532    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4241    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    2.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (372)
397

>  <Formula> (372)
C10H8O4

>  <MolWeight> (372)
192.16812

>  <Cat> (372)
S3881

>  <Name> (372)
Scopoletin

>  <Synonyms> (372)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (372)
Immunology & Inflammation related

>  <Form> (372)
free base

>  <CAS> (372)
92-61-5

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

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/09132414022D

 58 65  0  0  0  0  0  0  0  0999 V2000
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   13.4215    4.2517    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   15.9085   13.8162    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.4317    2.8980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2474    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6339    4.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0266   14.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (373)
398

>  <Formula> (373)
C41H68O14

>  <MolWeight> (373)
784.97022

>  <Cat> (373)
S3901

>  <Name> (373)
Astragaloside IV

>  <Synonyms> (373)
AST-IV, AS-IV

>  <Target> (373)
Others

>  <Form> (373)
free base

>  <CAS> (373)
84687-43-4

>  <URL> (373)
http://www.selleckchem.com/products/sastragaloside-iv.html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/09132414022D

 32 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (374)
399

>  <Formula> (374)
C20H24O11

>  <MolWeight> (374)
440.39796

>  <Cat> (374)
S3781

>  <Name> (374)
Ginkgolide C

>  <Synonyms> (374)
BN-52022

>  <Target> (374)
Others

>  <Form> (374)
free base

>  <CAS> (374)
15291-76-6

>  <URL> (374)
http://www.selleckchem.com/products/ginkgolide-c.html

$$$$
S3799 Gentisic acid.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (375)
400

>  <Formula> (375)
C7H6O4

>  <MolWeight> (375)
154.12014

>  <Cat> (375)
S3799

>  <Name> (375)
Gentisic acid

>  <Synonyms> (375)
 DHB; 2,5-dihydroxybenzoic acid; 5-Hydroxysalicylic acid; Gentianic acid; Carboxyhydroquinone

>  <Target> (375)
Immunology & Inflammation related

>  <Form> (375)
free base

>  <CAS> (375)
490-79-9

>  <URL> (375)
http://www.selleckchem.com/products/gentisic-acid.html

$$$$
S3926 Forsythin.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (376)
401

>  <Formula> (376)
C27H34O11

>  <MolWeight> (376)
534.55226

>  <Cat> (376)
S3926

>  <Name> (376)
Forsythin

>  <Synonyms> (376)
Phillyrin

>  <Target> (376)
Others

>  <Form> (376)
free base

>  <CAS> (376)
487-41-2

>  <URL> (376)
http://www.selleckchem.com/products/forsythin.html

$$$$
LY2109761.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (377)
402

>  <Formula> (377)
C26H27N5O2

>  <MolWeight> (377)
441.52488

>  <Cat> (377)
S2704

>  <Name> (377)
LY2109761

>  <Synonyms> (377)
N/A

>  <Target> (377)
TGF-beta/Smad

>  <Form> (377)
Free Base

>  <CAS> (377)
700874-71-1 

>  <URL> (377)
http://www.selleckchem.com/products/ly2109761.html

$$$$
INCB28060.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (378)
403

>  <Formula> (378)
C23H17FN6O

>  <MolWeight> (378)
412.4190832

>  <Cat> (378)
S2788

>  <Name> (378)
Capmatinib (INCB28060)

>  <Synonyms> (378)
N/A

>  <Target> (378)
c-Met 

>  <Form> (378)
Free Base

>  <CAS> (378)
1029712-80-8

>  <URL> (378)
http://www.selleckchem.com/products/incb28060.html

$$$$
LY364947.cdx
csChFnd80/09132414022D

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172889-27-9

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EGFR

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Free Base

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194423-15-9

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https://www.selleckchem.com/products/pd168393.html

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N/A

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Syk

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1370261-97-4,1370261-96-3(free base)

>  <URL> (385)
https://www.selleckchem.com/products/prt062607-p505-15-hcl.html

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c-Myc

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403811-55-2

>  <URL> (386)
https://www.selleckchem.com/products/10058-f4.html

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CDK

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HCl

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920113-03-7

>  <URL> (387)
https://www.selleckchem.com/products/p276-00.html

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M  END
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417

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C11H17N5O2

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NU6027

>  <Synonyms> (392)
N/A

>  <Target> (392)
CDK

>  <Form> (392)
Free Base

>  <CAS> (392)
220036-08-8

>  <URL> (392)
http://www.selleckchem.com/products/nu6027.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/09132414022D

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418

>  <Formula> (393)
C18H32ClN3O8P2

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>  <Cat> (393)
S4157

>  <Name> (393)
Chloroquine Phosphate

>  <Synonyms> (393)
N/A

>  <Target> (393)
Others

>  <Form> (393)
Diphosphate

>  <CAS> (393)
50-63-5

>  <URL> (393)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
CNX-2006.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (394)
419

>  <Formula> (394)
C26H27F4N7O2

>  <MolWeight> (394)
545.5318928

>  <Cat> (394)
S7206

>  <Name> (394)
CNX-2006

>  <Synonyms> (394)
N/A

>  <Target> (394)
EGFR

>  <Form> (394)
Free Base

>  <CAS> (394)
1375465-09-0

>  <URL> (394)
http://www.selleckchem.com/products/cnx-2006.html

$$$$
GZD824.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (395)
420

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C31H35F3N6O7S2

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>  <Name> (395)
GZD824 Dimesylate 

>  <Synonyms> (395)
N/A

>  <Target> (395)
Bcr-Abl

>  <Form> (395)
Mesylate

>  <CAS> (395)
1421783-64-3

>  <URL> (395)
http://www.selleckchem.com/products/gzd824.html

$$$$
RKI-1447.cdx
csChFnd80/09132414022D

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csChFnd80/09132414022D

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    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
    7.0112    3.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8022    0.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8238    2.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0983    0.1451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.5527    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5494    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1355    2.4085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4087    0.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1357    0.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1867    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  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> (399)
424

>  <Formula> (399)
C13H12N2O

>  <MolWeight> (399)
212.24718

>  <Cat> (399)
S3868

>  <Name> (399)
Harmine

>  <Synonyms> (399)
telepathine

>  <Target> (399)
PPAR¦Ã,MAO-A

>  <Form> (399)
free base

>  <CAS> (399)
442-51-3

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

$$$$
S3980 Pyridoxine.cdx
csChFnd80/09132414022D

 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
    3.6436    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8380    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0317    2.7911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    4.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6074    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0505    0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  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
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
>  <Mol_ID> (400)
425

>  <Formula> (400)
C8H11NO3

>  <MolWeight> (400)
169.17784

>  <Cat> (400)
S3980

>  <Name> (400)
Pyridoxine

>  <Synonyms> (400)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (400)
Others

>  <Form> (400)
free base

>  <CAS> (400)
65-23-6

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

$$$$
S4990 TBHQ.cdx
csChFnd80/09132414022D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8386    1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261    1.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5424    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510    0.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1423    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    3.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    1.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050    3.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8208    3.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    3.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (401)
426

>  <Formula> (401)
C10H14O2

>  <MolWeight> (401)
166.21696

>  <Cat> (401)
S4990

>  <Name> (401)
TBHQ

>  <Synonyms> (401)
Tert-butylhydroquinone

>  <Target> (401)
Nrf2

>  <Form> (401)
free base

>  <CAS> (401)
1948-33-0

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

$$$$
S4953 Usnic acid.cdx
csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0222    2.1098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6216    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0222    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6633    0.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6216    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    1.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218    4.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4264    2.1163    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2721    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    0.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4214    3.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6445    1.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    3.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    5.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6395    4.1825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6445    0.0130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    6.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    6.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6  8  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 15  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 17  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  2  0  0  0  0
M  END
>  <Mol_ID> (402)
427

>  <Formula> (402)
C18H16O7

>  <MolWeight> (402)
344.31544

>  <Cat> (402)
S4953

>  <Name> (402)
Usnic acid

>  <Synonyms> (402)
Usniacin

>  <Target> (402)
Others

>  <Form> (402)
free base

>  <CAS> (402)
125-46-2

>  <URL> (402)
http://selleckchem.com/products/usnic-acid.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/09132414022D

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.8389    5.3842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1564    4.1113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1771    3.9947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3358    3.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0022    2.4833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2089    1.7079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3626    2.7803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9317    4.1661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5939    5.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0264    6.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310    1.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1767    5.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8388    6.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0678    0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1773    5.2227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9461    6.8317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0420    2.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    3.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8852    1.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5843    1.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8088    7.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9298    0.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0746    7.5643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6074    0.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1933    1.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6965    3.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8857    3.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254    4.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8944    5.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0593    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5333    7.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639    2.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0867    5.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615    5.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777    2.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2701    1.2361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2780    3.1276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0636    5.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
 13  1  1  0  0  0  0
  1 16  1  1  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2 42  1  6  0  0  0
  3  9  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  3 43  1  6  0  0  0
 29  4  1  0  0  0  0
 30  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5 41  1  6  0  0  0
 20  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  6  0  0  0
 14  6  1  0  0  0  0
 21  6  1  0  0  0  0
  7 18  1  1  0  0  0
  8 17  1  1  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
 12 10  1  0  0  0  0
 24 10  2  0  0  0  0
 11 14  1  0  0  0  0
 31 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 33  1  1  0  0  0
 22 16  1  0  0  0  0
 19 17  1  0  0  0  0
 23 18  1  0  0  0  0
 25 19  2  0  0  0  0
 28 19  1  0  0  0  0
 20 21  1  0  0  0  0
 26 22  2  0  0  0  0
 35 22  1  0  0  0  0
 27 23  2  0  0  0  0
 34 23  1  0  0  0  0
 32 28  1  0  0  0  0
 36 32  2  0  0  0  0
 37 32  1  0  0  0  0
 39 36  1  0  0  0  0
 38 37  2  0  0  0  0
 40 38  1  0  0  0  0
 40 39  2  0  0  0  0
M  END
>  <Mol_ID> (403)
428

>  <Formula> (403)
C32H40O8

>  <MolWeight> (403)
552.6552

>  <Cat> (403)
S3832

>  <Name> (403)
Euphorbiasteroid

>  <Synonyms> (403)
Euphorbia factor L1

>  <Target> (403)
Others

>  <Form> (403)
free base

>  <CAS> (403)
28649-59-4

>  <URL> (403)
http://selleckchem.com/products/euphorbiasteroid.html

$$$$
S4861 Oxindole.cdx
csChFnd80/09132414022D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4520    2.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    0.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7822    2.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2258    2.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7770    0.2613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6015    1.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0015    1.3910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (404)
429

>  <Formula> (404)
C8H7NO

>  <MolWeight> (404)
133.14728

>  <Cat> (404)
S4861

>  <Name> (404)
Oxindole

>  <Synonyms> (404)
2-indolone, 2-Oxindole, Indolin-2-one

>  <Target> (404)
Others

>  <Form> (404)
free base

>  <CAS> (404)
59-48-3

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

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (405)
430

>  <Formula> (405)
C10H13N5O

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>  <Name> (405)
Trans-Zeatin

>  <Synonyms> (405)
(E)-Zeatin

>  <Target> (405)
Others

>  <CAS> (405)
1637-39-4

>  <URL> (405)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4959 Skatole.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (406)
431

>  <Formula> (406)
C9H9N

>  <MolWeight> (406)
131.17446

>  <Cat> (406)
S4959

>  <Name> (406)
Skatole

>  <Synonyms> (406)
3-methylindole, Scatole

>  <Target> (406)
Anti-infection

>  <CAS> (406)
83-34-1

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

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (407)
432

>  <Formula> (407)
C47H80O18

>  <MolWeight> (407)
933.1273

>  <Cat> (407)
S3785

>  <Name> (407)
Notoginsenoside R1

>  <Synonyms> (407)
Sanchinoside R1

>  <Target> (407)
Others

>  <Form> (407)
free base

>  <CAS> (407)
80418-24-2

>  <URL> (407)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
GW 5074.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (408)
433

>  <Formula> (408)
C15H8Br2INO2

>  <MolWeight> (408)
520.94199

>  <Cat> (408)
S2872

>  <Name> (408)
GW5074

>  <Synonyms> (408)
N/A

>  <Target> (408)
Raf

>  <Form> (408)
free base

>  <CAS> (408)
220904-83-6

>  <URL> (408)
http://selleckchem.com/products/gw5074.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/09132414022D

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 31 41  1  0  0  0  0
 30 42  1  0  0  0  0
 42 43  1  0  0  0  0
 39 44  1  0  0  0  0
M  END
>  <Mol_ID> (409)
434

>  <Formula> (409)
C29H36O15

>  <MolWeight> (409)
624.58714

>  <Cat> (409)
S2323

>  <Name> (409)
Methyl-Hesperidin

>  <Form> (409)
free base

>  <CAS> (409)
 11013-97-1

$$$$
SNS-314 Mesylate.cdx
csChFnd80/09132414022D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.1148    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3272    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    3.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  6 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  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  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
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 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 27 22  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
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M  END
>  <Mol_ID> (410)
435

>  <Formula> (410)
C19H19ClN6O4S3

>  <MolWeight> (410)
527.03996

>  <Cat> (410)
S1154

>  <Name> (410)
SNS-314 Mesylate

>  <Synonyms> (410)
N/A

>  <Target> (410)
Aurora Kinase

>  <Form> (410)
Mesylate

>  <CAS> (410)
1146618-41-8

>  <URL> (410)
http://www.selleckchem.com/products/SNS-314.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/09132414022D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.5054    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5054    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    2.0260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    2.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    6.2883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    6.2372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    2.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3538    2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6314    2.7969    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5771    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6314    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7749    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4211    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0509    2.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6124    7.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2423    7.0273    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
  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 13  1  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
 18 15  1  1  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  6  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  1  0  0  0
 25 30  1  1  0  0  0
 25 28  1  0  0  0  0
 28 31  1  6  0  0  0
 29 32  1  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (411)
436

>  <Formula> (411)
C21H18O12

>  <MolWeight> (411)
462.36042

>  <Cat> (411)
S3810

>  <Name> (411)
Scutellarin

>  <Synonyms> (411)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (411)
Others

>  <Form> (411)
free base

>  <CAS> (411)
27740-01-8

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

$$$$
untitled.cdx
csChFnd80/09132414022D

 34 37  0  0  0  0  0  0  0  0999 V2000
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3157    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3115    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9446    9.0879    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9446    6.2927    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
 10 11  1  0  0  0  0
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 12 13  2  0  0  0  0
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 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 14 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
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>  <Formula> (412)
C24H25ClFN5O3

>  <MolWeight> (412)
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>  <Cat> (412)
S1019

>  <Name> (412)
CI-1033 (Canertinib)

>  <Synonyms> (412)
PD-183805 

>  <Target> (412)
EGFR, HER2

>  <Form> (412)
Free Base

>  <CAS> (412)
267243-28-7

>  <URL> (412)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
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>  <Mol_ID> (413)
438

>  <Formula> (413)
C31H42N6O4

>  <MolWeight> (413)
562.70298

>  <Cat> (413)
S1043

>  <Name> (413)
Tandutinib (MLN518)

>  <Synonyms> (413)
CT53518

>  <Target> (413)
Flt

>  <Form> (413)
Free Base

>  <CAS> (413)
387867-13-2

>  <URL> (413)
http://www.selleckchem.com/products/Tandutinib-(MLN518).html

$$$$
untitled.cdx
csChFnd80/09132414022D

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439

>  <Formula> (414)
C22H24BrFN4O2

>  <MolWeight> (414)
475.3539632

>  <Cat> (414)
S1046

>  <Name> (414)
Vandetanib (ZD6474)

>  <Synonyms> (414)
N/A

>  <Target> (414)
VEGFR

>  <Form> (414)
Free Base

>  <CAS> (414)
443913-73-3

>  <URL> (414)
http://www.selleckchem.com/products/Vandetanib.html

$$$$
untitled.cdx
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440

>  <Formula> (415)
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>  <MolWeight> (415)
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>  <Cat> (415)
S3056

>  <Name> (415)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (415)
N/A

>  <Target> (415)
Akt

>  <Form> (415)
Free Base

>  <CAS> (415)
58066-85-6

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

$$$$
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csChFnd80/09132414022D

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441

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NU7026

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DNA-PK

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>  <CAS> (416)
154447-35-5

>  <URL> (416)
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$$$$
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>  <Mol_ID> (417)
442

>  <Formula> (417)
C22H26N2O2

>  <MolWeight> (417)
350.45404

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S2110

>  <Name> (417)
Vinpocetine (Cavinton)

>  <Synonyms> (417)
N/A

>  <Target> (417)
Sodium Channel

>  <Form> (417)
Free Base

>  <CAS> (417)
42971-09-5

>  <URL> (417)
http://www.selleckchem.com/products/vinpocetine-cavinton.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/09132414022D

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443

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C11H6F3NO2S

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S8005

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SMI-4a

>  <Synonyms> (418)
N/A

>  <Target> (418)
Pim

>  <Form> (418)
Free Base

>  <CAS> (418)
438190-29-5

>  <URL> (418)
http://www.selleckchem.com/products/smi-4a.html

$$$$
VE-821.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (419)
444

>  <Formula> (419)
C18H16N4O3S

>  <MolWeight> (419)
368.40964

>  <Cat> (419)
S8007

>  <Name> (419)
VE-821

>  <Synonyms> (419)
N/A

>  <Target> (419)
ATM/ATR

>  <Form> (419)
Free Base

>  <CAS> (419)
1232410-49-9

>  <URL> (419)
http://www.selleckchem.com/products/ve-821.html

$$$$
GSK2636771.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (420)
445

>  <Formula> (420)
C22H22F3N3O3

>  <MolWeight> (420)
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S8002

>  <Name> (420)
GSK2636771

>  <Synonyms> (420)
N/A

>  <Target> (420)
PI3K

>  <Form> (420)
Free Base

>  <CAS> (420)
1372540-25-4

>  <URL> (420)
http://www.selleckchem.com/products/gsk2636771.html

$$$$
PQ 401.cdx
csChFnd80/09132414022D

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>  <Synonyms> (421)
N/A

>  <Target> (421)
IGF-1R

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Free Base

>  <CAS> (421)
196868-63-0

>  <URL> (421)
http://www.selleckchem.com/products/pq-401.html

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>  <CAS> (423)
885101-89-3

>  <URL> (423)
http://www.selleckchem.com/products/gw9508.html

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1197958-12-5

>  <URL> (424)
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S8019

>  <Name> (425)
AZD5363

>  <Synonyms> (425)
N/A

>  <Target> (425)
Akt

>  <Form> (425)
Free Base

>  <CAS> (425)
1143532-39-1

>  <URL> (425)
http://www.selleckchem.com/products/azd5363.html

$$$$
AG-1296.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (426)
452

>  <Formula> (426)
C16H14N2O2

>  <MolWeight> (426)
266.29456

>  <Cat> (426)
S8024

>  <Name> (426)
Tyrphostin AG 1296 (AG 1296)

>  <Synonyms> (426)
N/A

>  <Target> (426)
PDGFR

>  <Form> (426)
Free Base

>  <CAS> (426)
146535-11-7

>  <URL> (426)
http://www.selleckchem.com/products/tyrphostin-ag-1296-ag-1296.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (427)
453

>  <Formula> (427)
C18H20N2O4S

>  <MolWeight> (427)
360.4274

>  <Cat> (427)
S8023

>  <Name> (427)
TCS 359

>  <Synonyms> (427)
N/A

>  <Target> (427)
FLT3

>  <Form> (427)
Free Base

>  <CAS> (427)
301305-73-7

>  <URL> (427)
http://www.selleckchem.com/products/tcs-359.html

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/09132414022D

  7  4  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (428)
454

>  <Formula> (428)
FNa2O3P

>  <MolWeight> (428)
143.9499042

>  <Cat> (428)
S4013

>  <Name> (428)
Sodium Monofluorophosphate

>  <Synonyms> (428)
Sodium Fluorophosphate

>  <Target> (428)
Others
phosphatase

>  <Form> (428)
Disodium salt

>  <CAS> (428)
10163-15-2

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

$$$$
IPI-145.cdx
csChFnd80/09132414022D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (429)
455

>  <Formula> (429)
C22H17ClN6O

>  <MolWeight> (429)
416.86298

>  <Cat> (429)
S7028

>  <Name> (429)
Duvelisib (IPI-145, INK1197)

>  <Synonyms> (429)
N/A

>  <Target> (429)
PI3K

>  <Form> (429)
Free Base

>  <CAS> (429)
1201438-56-3

>  <URL> (429)
http://www.selleckchem.com/products/ipi-145-ink1197.html

$$$$
Necrostatin-1.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (430)
456

>  <Formula> (430)
C13H13N3OS

>  <MolWeight> (430)
259.32682

>  <Cat> (430)
S8037

>  <Name> (430)
Necrostatin-1

>  <Synonyms> (430)
N/A

>  <Target> (430)
TNF-alpha

>  <Form> (430)
Free Base

>  <CAS> (430)
4311-88-0

>  <URL> (430)
http://www.selleckchem.com/products/necrostatin-1.html

$$$$
STATTIC.cdx
csChFnd80/09132414022D

 14 15  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (431)
457

>  <Formula> (431)
C8H5NO4S

>  <MolWeight> (431)
211.1946

>  <Cat> (431)
S7024

>  <Name> (431)
Stattic

>  <Synonyms> (431)
N/A

>  <Target> (431)
STAT

>  <Form> (431)
Free Base

>  <CAS> (431)
19983-44-9

>  <URL> (431)
http://www.selleckchem.com/products/stattic.html

$$$$
GW2580.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (432)
458

>  <Formula> (432)
C20H22N4O3

>  <MolWeight> (432)
366.41368

>  <Cat> (432)
S8042

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GW2580

>  <Synonyms> (432)
N/A

>  <Target> (432)
CSF-1R

>  <Form> (432)
Free Base

>  <CAS> (432)
870483-87-7

>  <URL> (432)
http://www.selleckchem.com/products/gw2580.html

$$$$
Butein.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (433)
459

>  <Formula> (433)
C15H12O5

>  <MolWeight> (433)
272.25278

>  <Cat> (433)
S8036

>  <Name> (433)
Butein

>  <Synonyms> (433)
N/A

>  <Target> (433)
EGFR

>  <Form> (433)
Free Base

>  <CAS> (433)
487-52-5

>  <URL> (433)
https://www.selleckchem.com/products/butein.html

$$$$
(-)-Blebbistatin.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (434)
460

>  <Formula> (434)
C18H16N2O2

>  <MolWeight> (434)
292.33184

>  <Cat> (434)
S7099

>  <Name> (434)
(-)-Blebbistatin

>  <Synonyms> (434)
N/A

>  <Target> (434)
ATPase

>  <Form> (434)
Free Base

>  <CAS> (434)
856925-71-8

>  <URL> (434)
https://www.selleckchem.com/products/blebbistatin.html

$$$$
GDC-0349.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (435)
461

>  <Formula> (435)
C24H32N6O3

>  <MolWeight> (435)
452.54928

>  <Cat> (435)
S8040

>  <Name> (435)
GDC-0349

>  <Synonyms> (435)
RG7603

>  <Target> (435)
mTOR

>  <Form> (435)
Free Base

>  <CAS> (435)
1207360-89-1

>  <URL> (435)
https://www.selleckchem.com/products/gdc-0349.html

$$$$
NVP-TAE684.cdx
csChFnd80/09132414022D

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>  <Target> (437)
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Free Base

>  <CAS> (437)
489415-96-5

>  <URL> (437)
http://www.selleckchem.com/products/sbc-115076.html

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c-Met 

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1022150-57-7

>  <URL> (438)
http://www.selleckchem.com/products/SGX-523.html

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>  <URL> (439)
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 10  5  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
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 21 28  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (440)
466

>  <Formula> (440)
C22H24ClN3O4

>  <MolWeight> (440)
429.89666

>  <Cat> (440)
S1023

>  <Name> (440)
Erlotinib(OSI-744)

>  <Synonyms> (440)
(CP358774, NSC 718781) HCl

>  <Target> (440)
EGFR

>  <Form> (440)
Hydrochloride

>  <CAS> (440)
183319-69-9

>  <URL> (440)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/09132414022D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (441)
467

>  <Formula> (441)
C16H15BrClN5O4S

>  <MolWeight> (441)
488.7434

>  <Cat> (441)
S1205

>  <Name> (441)
PIK-75 

>  <Synonyms> (441)
N/A

>  <Target> (441)
PI3K, DNA-PK

>  <Form> (441)
Hydrochloride

>  <CAS> (441)
372196-77-5

>  <URL> (441)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
S1037.cdx
csChFnd80/09132414022D

 31 31  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  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
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 16 17  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> (442)
468

>  <Formula> (442)
C25H52NO4P

>  <MolWeight> (442)
461.658441

>  <Cat> (442)
S1037

>  <Name> (442)
Perifosine (KRX-0401)

>  <Synonyms> (442)
NSC639966

>  <Target> (442)
Akt

>  <Form> (442)
Free Base

>  <CAS> (442)
157716-52-4

>  <URL> (442)
http://www.selleckchem.com/products/Perifosine.html

$$$$
Ellagic acid.cdx
csChFnd80/09132414022D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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 13  6  2  0  0  0  0
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 16  1  2  0  0  0  0
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M  END
>  <Mol_ID> (443)
469

>  <Formula> (443)
C14H6O8

>  <MolWeight> (443)
302.19264

>  <Cat> (443)
S1327

>  <Name> (443)
Ellagic acid

>  <Synonyms> (443)
N/A

>  <Target> (443)
Topoisomerases

>  <Form> (443)
Free Base

>  <CAS> (443)
476-66-4

>  <URL> (443)
http://www.selleckchem.com/products/Ellagic-acid.html

$$$$
bms-707035.cdx
csChFnd80/09132414022D

 24 27  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> (444)
470

>  <Formula> (444)
C18H11N3O2S

>  <MolWeight> (444)
333.36384

>  <Cat> (444)
S1360

>  <Name> (444)
GSK1059615

>  <Synonyms> (444)
N/A

>  <Target> (444)
PI3K, mTOR

>  <Form> (444)
Free Base

>  <CAS> (444)
958852-01-2

>  <URL> (444)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
LY2228820.cdx
csChFnd80/09132414022D

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N/A

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p38 MAPK

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Dimesylate

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862507-23-1

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http://www.selleckchem.com/products/LY2228820.html

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N/A

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Aurora Kinase

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Free Base

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942947-93-5

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http://www.selleckchem.com/products/CCT129202.html

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R935788 (Fostamatinib disodium)

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N/A 

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Syk

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Sodium Salt

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1025687-58-4

>  <URL> (447)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

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M  END
>  <Mol_ID> (448)
475

>  <Formula> (448)
C19H12F4N4O2

>  <MolWeight> (448)
404.3177928

>  <Cat> (448)
S6005

>  <Name> (448)
VX-702

>  <Synonyms> (448)
N/A

>  <Target> (448)
p38 MAPK 

>  <Form> (448)
Free Base

>  <CAS> (448)
745833-23-2

>  <URL> (448)
http://www.selleckchem.com/products/VX-702.html

$$$$
PK-1587.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (449)
476

>  <Formula> (449)
C32H41N9O4

>  <MolWeight> (449)
615.72584

>  <Cat> (449)
S2628

>  <Name> (449)
PF-05212384 (PKI-587)

>  <Synonyms> (449)
N/A 

>  <Target> (449)
mTOR, PI3K

>  <Form> (449)
Free Base

>  <CAS> (449)
1197160-78-3

>  <URL> (449)
http://www.selleckchem.com/products/pki587.html

$$$$
Amiloride hydrochloride dihydrate.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (450)
477

>  <Formula> (450)
C6H13Cl2N7O3

>  <MolWeight> (450)
302.11852

>  <Cat> (450)
S2560

>  <Name> (450)
Amiloride hydrochloride dihydrate

>  <Synonyms> (450)
MK-870

>  <Target> (450)
Sodium Channel

>  <Form> (450)
hydrochloride & dihydrate

>  <CAS> (450)
17440-83-4

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

$$$$
NU-7441(KU-57788).cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (451)
478

>  <Formula> (451)
C25H19NO3S

>  <MolWeight> (451)
413.48826

>  <Cat> (451)
S2638

>  <Name> (451)
NU7441(KU-57788)

>  <Synonyms> (451)
N/A 

>  <Target> (451)
DNA-PK, PI3K

>  <Form> (451)
Free Base

>  <CAS> (451)
503468-95-9 

>  <URL> (451)
http://www.selleckchem.com/products/nu7441.html

$$$$
SCH 900776.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (452)
479

>  <Formula> (452)
C15H18BrN7

>  <MolWeight> (452)
376.25432

>  <Cat> (452)
S2735

>  <Name> (452)
MK-8776 (SCH 900776)

>  <Synonyms> (452)
N/A

>  <Target> (452)
CHK

>  <Form> (452)
Free Base

>  <CAS> (452)
891494-63-6

>  <URL> (452)
http://www.selleckchem.com/products/sch-900776.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (453)
480

>  <Formula> (453)
C23H14Na2O11

>  <MolWeight> (453)
512.3302

>  <Cat> (453)
S1911

>  <Name> (453)
Disodium Cromoglycate

>  <Synonyms> (453)
Gynazole

>  <Target> (453)
Calcium Channel

>  <Form> (453)
Disodium Salt

>  <CAS> (453)
15826-37-6

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

$$$$
CCT137690.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (454)
481

>  <Formula> (454)
C26H31BrN8O

>  <MolWeight> (454)
551.48134

>  <Cat> (454)
S2744

>  <Name> (454)
CCT137690

>  <Synonyms> (454)
N/A

>  <Target> (454)
Aurora Kinase

>  <Form> (454)
Free Base

>  <CAS> (454)
1095382-05-0

>  <URL> (454)
http://www.selleckchem.com/products/cct137690.html

$$$$
PYR 41.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (455)
482

>  <Formula> (455)
C17H13N3O7

>  <MolWeight> (455)
371.30102

>  <Cat> (455)
S7129

>  <Name> (455)
PYR-41

>  <Synonyms> (455)
N/A

>  <Target> (455)
E1 Activating

>  <Form> (455)
Free Base

>  <CAS> (455)
418805-02-4

>  <URL> (455)
http://www.selleckchem.com/products/pyr-41.html

$$$$
BI-847325.cdx
csChFnd80/09132414022D

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Free Base

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1207293-36-4

>  <URL> (456)
http://www.selleckchem.com/products/bi-847325.html

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>  <Target> (457)
EGFR

>  <Form> (457)
Free Base

>  <CAS> (457)
1421373-98-9

>  <URL> (457)
http://www.selleckchem.com/products/az5104.html

$$$$
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>  <Form> (458)
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>  <CAS> (458)
1234480-84-2

>  <URL> (458)
http://www.selleckchem.com/products/lrrk2-in-1.html

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1221713-92-3

>  <URL> (459)
http://www.selleckchem.com/products/nps-1034.html

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C26H32ClN2O8PS

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KN-93 Phosphate

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>  <Target> (460)
CaMK

>  <Form> (460)
Free Base

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1188890-41-6

>  <URL> (460)
http://www.selleckchem.com/products/kn-93-phosphate.html

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GDC0623.cdx
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MEK

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1168091-68-6

>  <URL> (461)
http://www.selleckchem.com/products/gdc-0623.html

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>  <Target> (462)
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>  <Form> (462)
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>  <CAS> (462)
1627494-13-6

>  <URL> (462)
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M  END
>  <Mol_ID> (463)
492

>  <Formula> (463)
C18H23N5NaO8P

>  <MolWeight> (463)
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>  <Cat> (463)
S7858

>  <Name> (463)
Dibutyryl-cAMP (Bucladesine)

>  <Synonyms> (463)
dbcAMP

>  <Target> (463)
PKA

>  <Form> (463)
sodium salt

>  <CAS> (463)
16980-89-5

>  <URL> (463)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

$$$$
8-Bromo-cAMP.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (464)
493

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C10H10BrN5NaO6P

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>  <Cat> (464)
S7857

>  <Name> (464)
8-Bromo-cAMP

>  <Synonyms> (464)
N/A

>  <Target> (464)
PKA

>  <Form> (464)
sodium salt

>  <CAS> (464)
76939-46-3

>  <URL> (464)
http://www.selleckchem.com/products/8-bromo-camp.html

$$$$
BLU9931.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (465)
494

>  <Formula> (465)
C26H22Cl2N4O3

>  <MolWeight> (465)
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>  <Cat> (465)
S7819

>  <Name> (465)
BLU9931

>  <Synonyms> (465)
N/A

>  <Target> (465)
FGFR

>  <Form> (465)
Free Base

>  <CAS> (465)
1538604-68-0

>  <URL> (465)
http://www.selleckchem.com/products/blu9931.html

$$$$
TP-0903.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (466)
495

>  <Formula> (466)
C24H30ClN7O2S

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>  <Cat> (466)
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>  <Name> (466)
TP-0903

>  <Synonyms> (466)
N/A

>  <Target> (466)
TAM Receptor

>  <Form> (466)
Free Base

>  <CAS> (466)
1341200-45-0

>  <URL> (466)
http://www.selleckchem.com/products/tp-0903.html

$$$$
FLLL32.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (467)
496

>  <Formula> (467)
C28H32O6

>  <MolWeight> (467)
464.55008

>  <Cat> (467)
S7259

>  <Name> (467)
FLLL32

>  <Synonyms> (467)
N/A

>  <Target> (467)
JAK

>  <Form> (467)
Free Base

>  <CAS> (467)
1226895-15-3

>  <URL> (467)
http://www.selleckchem.com/products/flll32.html

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/09132414022D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (468)
497

>  <Formula> (468)
C5H6Na2O5

>  <MolWeight> (468)
192.07768

>  <Cat> (468)
S7873

>  <Name> (468)
Disodium (R)-2-Hydroxyglutarate

>  <Synonyms> (468)
N/A

>  <Target> (468)
Others

>  <Form> (468)
disodium salt

>  <CAS> (468)
103404-90-6

>  <URL> (468)
http://www.selleckchem.com/products/disodium-r-2-hydroxyglutarate.html

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/09132414022D

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 13 40  1  1  0  0  0
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M  END
>  <Mol_ID> (469)
498

>  <Formula> (469)
C26H44NNaO6S

>  <MolWeight> (469)
521.68543

>  <Cat> (469)
S7896

>  <Name> (469)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (469)
N/A

>  <Target> (469)
Antifection

>  <Form> (469)
sodium salt

>  <CAS> (469)
35807-85-3

>  <URL> (469)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/09132414022D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (470)
499

>  <Formula> (470)
C24H28N8O2

>  <MolWeight> (470)
460.53152

>  <Cat> (470)
S7103

>  <Name> (470)
GDC-0032

>  <Synonyms> (470)
RG7604

>  <Target> (470)
PI3K

>  <Form> (470)
Free Base

>  <CAS> (470)
1282512-48-4

>  <URL> (470)
http://www.selleckchem.com/products/gdc-0032.html

$$$$
ONO-4059.cdx
csChFnd80/09132414022D

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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> (477)
215543-92-3

>  <URL> (477)
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

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hydrochloride salt

>  <CAS> (478)
1429881-91-3

>  <URL> (478)
http://www.selleckchem.com/products/unc-2025.html

$$$$
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1616632-77-9

>  <URL> (479)
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http://www.selleck.cn/products/bio-acetoxime.html

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    2.3451    1.8032    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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 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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 17 22  1  0  0  0  0
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 26 17  1  0  0  0  0
 22 27  1  1  0  0  0
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M  END
>  <Mol_ID> (484)
513

>  <Formula> (484)
C20H22ClN7O

>  <MolWeight> (484)
411.88798

>  <Cat> (484)
S8666

>  <Name> (484)
BAY 1895344

>  <Synonyms> (484)
N/A

>  <Target> (484)
ATR

>  <Form> (484)
hydrochloride

>  <CAS> (484)
1876467-74-1(free base)

>  <URL> (484)
http://www.selleckchem.com/products/bay-1895344.html

$$$$
S3753 L-Leucine.cdx
csChFnd80/09132414022D

  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
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  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (485)
514

>  <Formula> (485)
C6H13NO2

>  <MolWeight> (485)
131.17292

>  <Cat> (485)
S3753

>  <Name> (485)
L-Leucine

>  <Synonyms> (485)
(S)-Leucine, Leu

>  <Target> (485)
Others

>  <Form> (485)
free base

>  <CAS> (485)
61-90-5

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

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/09132414022D

 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
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    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
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   11.4781    6.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
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 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
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 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
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 25 10  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (486)
515

>  <Formula> (486)
C17H15N9

>  <MolWeight> (486)
345.3613

>  <Cat> (486)
S7674

>  <Name> (486)
Savolitinib(AZD6094, HMPL-504)

>  <Synonyms> (486)
Volitinib

>  <Target> (486)
MET

>  <Form> (486)
free base

>  <CAS> (486)
1313725-88-0

>  <URL> (486)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
S3801 Sodium Houttuyfonate.cdx
csChFnd80/09132414022D

 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> (487)
516

>  <Formula> (487)
C14H27NaO5S

>  <MolWeight> (487)
330.41595

>  <Cat> (487)
S3801

>  <Name> (487)
Sodium Houttuyfonate

>  <Synonyms> (487)
N/A

>  <Target> (487)
Antifection

>  <Form> (487)
sodium salt

>  <CAS> (487)
1847-58-1

>  <URL> (487)
http://www.selleckchem.com/products/sodium-houttuyfonate.html

$$$$
S3813 Bakuchiol.cdx
csChFnd80/09132414022D

 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
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  1  2  1  0  0  0  0
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  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
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  6  8  2  0  0  0  0
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  7 10  2  0  0  0  0
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 10 13  1  0  0  0  0
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 15 16  1  0  0  0  0
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 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (488)
517

>  <Formula> (488)
C18H24O

>  <MolWeight> (488)
256.38256

>  <Cat> (488)
S3813

>  <Name> (488)
Bakuchiol

>  <Synonyms> (488)
(S)-(+)-Bakuchiol

>  <Target> (488)
Immunology & Inflammation related

>  <Form> (488)
free base

>  <CAS> (488)
10309-37-2

>  <URL> (488)
http://www.selleckchem.com/products/bakuchiol.html

$$$$
SKI II (SphK-I2).cdx
csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229    2.3451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229    0.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    0.5124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8870    2.7353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1660    2.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.2986    2.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3123    0.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5776    2.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5913    0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7239    1.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0029    0.4576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
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  6 10  2  0  0  0  0
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 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (489)
519

>  <Formula> (489)
C15H11ClN2OS

>  <MolWeight> (489)
302.77864

>  <Cat> (489)
S7176

>  <Name> (489)
SKI II

>  <Synonyms> (489)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (489)
S1P Receptor

>  <Form> (489)
Free Base

>  <CAS> (489)
312636-16-1

>  <URL> (489)
http://www.selleckchem.com/products/ski-ii.html

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/09132414022D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (490)
520

>  <Formula> (490)
C17H15BrF2N4O3

>  <MolWeight> (490)
441.2268064

>  <Cat> (490)
S7007

>  <Name> (490)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (490)
N/A

>  <Target> (490)
MEK

>  <Form> (490)
Free Base

>  <CAS> (490)
606143-89-9

>  <URL> (490)
http://www.selleckchem.com/products/mek162.html

$$$$
GSK2334470.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (491)
521

>  <Formula> (491)
C25H34N8O

>  <MolWeight> (491)
462.59046

>  <Cat> (491)
S7087

>  <Name> (491)
GSK2334470

>  <Synonyms> (491)
N/A

>  <Target> (491)
PDK-1

>  <Form> (491)
Free Base

>  <CAS> (491)
1227911-45-6

>  <URL> (491)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (492)
522

>  <Formula> (492)
C24H26N4O

>  <MolWeight> (492)
386.48944

>  <Cat> (492)
S7127

>  <Name> (492)
TIC10 analogue

>  <Synonyms> (492)
TRAIL-inducing Compound 10

>  <Target> (492)
Akt

>  <Form> (492)
Free Base

>  <CAS> (492)
41276-02-2

>  <URL> (492)
http://www.selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (493)
523

>  <Formula> (493)
C16H10BrN3O2

>  <MolWeight> (493)
356.1735

>  <Cat> (493)
S7198

>  <Name> (493)
BIO

>  <Synonyms> (493)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (493)
GSK-3

>  <Form> (493)
Free Base

>  <CAS> (493)
667463-62-9

>  <URL> (493)
http://www.selleckchem.com/products/bio.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/09132414022D

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Free Base

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446859-33-2

>  <URL> (494)
http://www.selleckchem.com/products/repsox.html

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GSK-3

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Free Base

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486424-20-8

>  <URL> (495)
http://www.selleckchem.com/products/azd2858.html

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ZM 39923 HCl

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N/A

>  <Target> (496)
JAK

>  <Form> (496)
HCl

>  <CAS> (496)
1021868-92-7

>  <URL> (496)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
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>  <Name> (497)
Ro 31-8220 Mesylate

>  <Synonyms> (497)
Bisindolylmaleimide IX Mesylate

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PKC

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Mesylate

>  <CAS> (497)
138489-18-6

>  <URL> (497)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

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218156-96-8

>  <URL> (499)
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mTOR

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1251156-08-7

>  <URL> (500)
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M  END
>  <Mol_ID> (502)
534

>  <Formula> (502)
C24H27Cl2N5O

>  <MolWeight> (502)
472.41008

>  <Cat> (502)
S7306

>  <Name> (502)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (502)
BML-275,Compound C

>  <Target> (502)
AMPK

>  <Form> (502)
Dihydrochloride

>  <CAS> (502)
1219168-18-9

>  <URL> (502)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EHop-016.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (503)
535

>  <Formula> (503)
C25H30N6O

>  <MolWeight> (503)
430.5453

>  <Cat> (503)
S7319

>  <Name> (503)
EHop-016

>  <Synonyms> (503)
N/A

>  <Target> (503)
Rac

>  <Form> (503)
Free Base

>  <CAS> (503)
1380432-32-5

>  <URL> (503)
http://www.selleckchem.com/products/ehop-016.html

$$$$
Skepinone-L.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (504)
536

>  <Formula> (504)
C24H21F2NO4

>  <MolWeight> (504)
425.4246464

>  <Cat> (504)
S7214

>  <Name> (504)
Skepinone-L

>  <Synonyms> (504)
N/A

>  <Target> (504)
p38 MAPK

>  <Form> (504)
Free Base

>  <CAS> (504)
1221485-83-1

>  <URL> (504)
http://www.selleckchem.com/products/skepinone-l.html

$$$$
bms-345541.cdx
csChFnd80/09132414022D

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537

>  <Formula> (505)
C14H17N5

>  <MolWeight> (505)
255.31828

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bms-345541

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N/A

>  <Target> (505)
I¦ÊB/IKK

>  <Form> (505)
Free Base

>  <CAS> (505)
445430-58-0

>  <URL> (505)
http://www.selleckchem.com/products/bms-345541.html

$$$$
XL019.cdx
csChFnd80/09132414022D

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XL019

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JAK

>  <Form> (506)
Free Base

>  <CAS> (506)
945755-56-6

>  <URL> (506)
http://www.selleckchem.com/products/xl019.html

$$$$
SSR128129E (SSR).cdx
csChFnd80/09132414022D

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DYRK

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http://www.selleckchem.com/products/az191.html

$$$$
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JAK

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937272-79-2

>  <URL> (512)
http://www.selleckchem.com/products/pacritinib-sb1518.html

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Raf

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Free Base

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284461-73-0

>  <URL> (513)
http://www.selleckchem.com/products/sorafenib.html

$$$$
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300801-52-9

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http://www.selleckchem.com/products/tg003.html

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AMPK

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1214265-58-3

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M  END
>  <Mol_ID> (528)
561

>  <Formula> (528)
C18H12Cl2N4O4S

>  <MolWeight> (528)
451.28328

>  <Cat> (528)
S7369

>  <Name> (528)
4EGI-1

>  <Synonyms> (528)
N/A

>  <Target> (528)
Others

>  <Form> (528)
Free Base

>  <CAS> (528)
315706-13-9

>  <URL> (528)
http://www.selleckchem.com/products/4egi-1.html

$$$$
LEE011-2.cdx
csChFnd80/09132414022D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (529)
562

>  <Formula> (529)
C23H30N8O

>  <MolWeight> (529)
434.5373

>  <Cat> (529)
S7440

>  <Name> (529)
Ribociclib (LEE011)

>  <Synonyms> (529)
N/A

>  <Target> (529)
CDK

>  <Form> (529)
Free Base

>  <CAS> (529)
1211441-98-3

>  <URL> (529)
http://www.selleckchem.com/products/lee011.html

$$$$
LM-3230 NH125.cdx
csChFnd80/09132414022D

 30 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (530)
563

>  <Formula> (530)
C27H45IN2

>  <MolWeight> (530)
524.56407

>  <Cat> (530)
S7436

>  <Name> (530)
NH125

>  <Synonyms> (530)
N/A

>  <Target> (530)
CaMK

>  <Form> (530)
iodide

>  <CAS> (530)
278603-08-0

>  <URL> (530)
http://www.selleckchem.com/products/nh125.html

$$$$
1164470-53-4.cdx
csChFnd80/09132414022D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (531)
564

>  <Formula> (531)
C18H15Cl4N3OS

>  <MolWeight> (531)
463.2082

>  <Cat> (531)
S7437

>  <Name> (531)
Sal003

>  <Synonyms> (531)
N/A

>  <Target> (531)
phosphatase

>  <Form> (531)
Free Base

>  <CAS> (531)
1164470-53-4

>  <URL> (531)
http://www.selleckchem.com/products/sal003.html

$$$$
LDN193189 HCl.cdx
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1062368-62-0

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1225451-84-2

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676596-65-9

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http://www.selleckchem.com/products/isrib-trans-isomer.html

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csChFnd80/09132414022D

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N/A

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Others

>  <Form> (537)
Free Base

>  <CAS> (537)
252017-04-2

>  <URL> (537)
http://www.selleckchem.com/products/azd7545.html

$$$$
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csChFnd80/09132414022D

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571

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C19H17N3O3

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335.35658

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S7509

>  <Name> (538)
ML167

>  <Synonyms> (538)
CID 44968231

>  <Target> (538)
CDK

>  <Form> (538)
Free Base

>  <CAS> (538)
1285702-20-6

>  <URL> (538)
http://www.selleckchem.com/products/ml167.html

$$$$
ML347.cdx
csChFnd80/09132414022D

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572

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C22H16N4O

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352.38864

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ML347

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N/A

>  <Target> (539)
TGF-beta/Smad

>  <Form> (539)
Free Base

>  <CAS> (539)
1062368-49-3

>  <URL> (539)
http://www.selleckchem.com/products/ml347.html

$$$$
GS-9973.cdx
csChFnd80/09132414022D

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C23H21N7O

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N/A

>  <Target> (540)
Syk

>  <Form> (540)
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>  <CAS> (540)
1229208-44-9

>  <URL> (540)
http://www.selleckchem.com/products/gs-9973.html

$$$$
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csChFnd80/09132414022D

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Rho

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Free Base

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No

>  <URL> (541)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-6.html

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DMH1

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TGF-beta/Smad

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Free Base

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1206711-16-1

>  <URL> (542)
http://www.selleckchem.com/products/dmh1.html

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BMP Inhibitor III

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TGF-beta/Smad

>  <Form> (543)
Free Base

>  <CAS> (543)
1432597-26-6

>  <URL> (543)
http://www.selleckchem.com/products/ldn-212854.html

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MNK

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522629-08-9

>  <URL> (544)
http://www.selleckchem.com/products/cgp57380.html

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1246529-32-7

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http://www.selleckchem.com/products/gnf-5.html

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PI3K

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Free Base

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1276110-06-5

>  <URL> (550)
http://www.selleckchem.com/products/hs-173.html

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N/A

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TAM Receptor

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Free Base

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1493764-08-1

>  <URL> (551)
http://www.selleckchem.com/products/unc2881.html

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1415562-82-1

>  <URL> (552)
http://www.selleckchem.com/products/pf-543.html

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    4.5021    9.3291    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
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 13  8  1  0  0  0  0
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 25 21  1  0  0  0  0
 22 26  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (553)
588

>  <Formula> (553)
C21H21N3O2S

>  <MolWeight> (553)
379.47534

>  <Cat> (553)
S7104

>  <Name> (553)
AZD1208

>  <Synonyms> (553)
N/A

>  <Target> (553)
Pim

>  <Form> (553)
Free Base

>  <CAS> (553)
1204144-28-4

>  <URL> (553)
http://www.selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/09132414022D

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    5.5195    3.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5195    1.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320    1.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9444    1.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9444    3.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320    3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071    3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0947    3.2964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379    4.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6001    3.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7886    1.1567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730    0.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4358    3.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3726    4.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2420    6.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8517    9.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7191   10.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2803    8.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7129    7.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0823    7.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7761    6.3017    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1832    9.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9013    1.2195    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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  1  7  1  0  0  0  0
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 14  8  1  0  0  0  0
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 31 27  1  0  0  0  0
 30 32  1  0  0  0  0
 24 33  2  0  0  0  0
M  END
>  <Mol_ID> (554)
589

>  <Formula> (554)
C26H25Cl2N3O3

>  <MolWeight> (554)
498.401

>  <Cat> (554)
S7041

>  <Name> (554)
CX-6258 HCl

>  <Synonyms> (554)
N/A

>  <Target> (554)
Pim

>  <Form> (554)
Hydrochloride

>  <CAS> (554)
1353859-00-3

>  <URL> (554)
http://www.selleckchem.com/products/CX-6258.html

$$$$
EHT 1864.cdx
csChFnd80/09132414022D

 37 38  0  0  0  0  0  0  0  0999 V2000
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   21.7689    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9815    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3436    0.7006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1306    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9226    2.1008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 22  1  0  0  0  0
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 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (555)
590

>  <Formula> (555)
C25H29Cl2F3N2O4S

>  <MolWeight> (555)
581.4749696

>  <Cat> (555)
S7482

>  <Name> (555)
EHT 1864 2HCl

>  <Synonyms> (555)
N/A

>  <Target> (555)
Rho

>  <Form> (555)
Dihydrochloride

>  <CAS> (555)
754240-09-0

>  <URL> (555)
http://www.selleckchem.com/products/eht-1864.html

$$$$
LDC000067.cdx
csChFnd80/09132414022D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4 10  1  0  0  0  0
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  8 25  2  0  0  0  0
  8 26  2  0  0  0  0
M  END
>  <Mol_ID> (556)
592

>  <Formula> (556)
C18H18N4O3S

>  <MolWeight> (556)
370.42552

>  <Cat> (556)
S7461

>  <Name> (556)
LDC000067

>  <Synonyms> (556)
LDC067

>  <Target> (556)
CDK

>  <Form> (556)
Free Base

>  <CAS> (556)
1073485-20-7

>  <URL> (556)
http://www.selleckchem.com/products/ldc000067.html

$$$$
XMD8-92.cdx
csChFnd80/09132414022D

 35 39  0  0  0  0  0  0  0  0999 V2000
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686770-61-6

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910232-84-7

>  <URL> (559)
http://www.selleckchem.com/products/cgi1746.html

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M  END
>  <Mol_ID> (565)
601

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C21H18Cl2N4OS

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>  <Cat> (565)
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PD173955

>  <Synonyms> (565)
N/A 

>  <Target> (565)
Bcr-Abl

>  <Form> (565)
Free Base

>  <CAS> (565)
260415-63-2

>  <URL> (565)
http://www.selleckchem.com/products/pd173955.html

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (566)
602

>  <Formula> (566)
C16H21ClIN3O4S

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513.77811

>  <Cat> (566)
S7332

>  <Name> (566)
K-Ras(G12C) inhibitor 9

>  <Synonyms> (566)
N/A

>  <Target> (566)
Rho

>  <Form> (566)
Free Base

>  <CAS> (566)
1469337-91-4

>  <URL> (566)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

$$$$
SH-4-54.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (567)
603

>  <Formula> (567)
C29H27F5N2O5S

>  <MolWeight> (567)
610.592096

>  <Cat> (567)
S7337

>  <Name> (567)
SH-4-54

>  <Synonyms> (567)
N/A

>  <Target> (567)
STAT

>  <Form> (567)
Free Base

>  <CAS> (567)
1456632-40-8

>  <URL> (567)
http://www.selleckchem.com/products/sh-4-54.html

$$$$
Zotarolimus.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (568)
604

>  <Formula> (568)
C52H79N5O12

>  <MolWeight> (568)
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>  <Cat> (568)
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>  <Name> (568)
Zotarolimus (ABT-578)

>  <Synonyms> (568)
N/A

>  <Target> (568)
mTOR

>  <Form> (568)
Free Base

>  <CAS> (568)
221877-54-9

>  <URL> (568)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

$$$$
WH-4-023.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (569)
606

>  <Formula> (569)
C32H36N6O4

>  <MolWeight> (569)
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>  <Cat> (569)
S7565

>  <Name> (569)
WH-4-023

>  <Synonyms> (569)
KIN001-112

>  <Target> (569)
Src

>  <Form> (569)
Free Base

>  <CAS> (569)
837422-57-8

>  <URL> (569)
http://www.selleckchem.com/products/wh-4-023.html

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (570)
607

>  <Formula> (570)
C19H17NO3

>  <MolWeight> (570)
307.34318

>  <Cat> (570)
S7310

>  <Name> (570)
SF1670 (PTEN inhibitor)

>  <Synonyms> (570)
N/A

>  <Target> (570)
PTEN

>  <Form> (570)
Free Base

>  <CAS> (570)
345630-40-2

>  <URL> (570)
http://www.selleckchem.com/products/sf1670.html

$$$$
IM-12.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (571)
608

>  <Formula> (571)
C22H20FN3O2

>  <MolWeight> (571)
377.4115032

>  <Cat> (571)
S7566

>  <Name> (571)
IM-12

>  <Synonyms> (571)
N/A

>  <Target> (571)
GSK-3

>  <Form> (571)
Free Base

>  <CAS> (571)
1129669-05-1

>  <URL> (571)
http://www.selleckchem.com/products/im-12.html

$$$$
deltarasin.cdx
csChFnd80/09132414022D

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PDE

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Free Base

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1440898-61-2

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

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Rho

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Free Base

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No

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http://www.selleckchem.com/products/6h05.html

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1034616-18-6

>  <URL> (574)
http://www.selleckchem.com/products/nms-p937-nms1286937.html

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  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> (575)
612

>  <Formula> (575)
C17H20ClF4N7O

>  <MolWeight> (575)
449.8336128

>  <Cat> (575)
S7368

>  <Name> (575)
GNE-9605

>  <Synonyms> (575)
N/A

>  <Target> (575)
LRRK2

>  <Form> (575)
Free Base

>  <CAS> (575)
1536200-31-3

>  <URL> (575)
http://www.selleckchem.com/products/gne-9605.html

$$$$
filgotinib.cdx
csChFnd80/09132414022D

 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> (576)
613

>  <Formula> (576)
C21H23N5O3S

>  <MolWeight> (576)
425.50402

>  <Cat> (576)
S7605

>  <Name> (576)
Filgotinib£¨GLPG0643)

>  <Synonyms> (576)
N/A

>  <Target> (576)
JAK

>  <Form> (576)
Free Base

>  <CAS> (576)
1206161-97-8

>  <URL> (576)
http://www.selleckchem.com/products/filgotinib.html

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/09132414022D

 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> (577)
614

>  <Formula> (577)
C15H17ClIN3O3

>  <MolWeight> (577)
449.67125

>  <Cat> (577)
S7331

>  <Name> (577)
K-Ras(G12C) inhibitor 12

>  <Synonyms> (577)
N/A

>  <Target> (577)
Rho

>  <Form> (577)
Free Base

>  <CAS> (577)
1469337-95-8

>  <URL> (577)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

$$$$
Anacardic Acid.cdx
csChFnd80/09132414022D

 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> (578)
615

>  <Formula> (578)
C22H36O3

>  <MolWeight> (578)
348.51944

>  <Cat> (578)
S7582

>  <Name> (578)
Anacardic Acid

>  <Synonyms> (578)
6-pentadecylsalicylic Acid

>  <Target> (578)
Histone Acetyltransferase

>  <Form> (578)
Free Base

>  <CAS> (578)
16611-84-0

>  <URL> (578)
http://www.selleckchem.com/products/anacardic-acid.html

$$$$
GNF5837.cdx
csChFnd80/09132414022D

 39 43  0  0  0  0  0  0  0  0999 V2000
    9.6702    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8826    2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8826    5.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4652    4.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4652    3.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6776    2.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8901    3.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8901    4.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6776    5.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3075    5.4371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3075    2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2216    2.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0445    4.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2216    5.1668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4445    4.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6542    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0236    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    5.4371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    5.4371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    3.3371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7371    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.8298    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.1322    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0495    2.6395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   20.5930    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9853    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2764    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0640    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  5 19  1  0  0  0  0
  4 20  1  0  0  0  0
 19 13  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 22 24  2  0  0  0  0
 21 25  2  0  0  0  0
 25 26  1  0  0  0  0
  1 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 11 29  1  0  0  0  0
  7 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 10 35  1  0  0  0  0
 26 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 26  2  0  0  0  0
M  END
>  <Mol_ID> (579)
616

>  <Formula> (579)
C28H21F4N5O2

>  <MolWeight> (579)
535.4922528

>  <Cat> (579)
S7519

>  <Name> (579)
GNF-5837

>  <Synonyms> (579)
N/A

>  <Target> (579)
Trk receptor

>  <Form> (579)
Free Base

>  <CAS> (579)
1033769-28-6

>  <URL> (579)
http://www.selleckchem.com/products/gnf-5837.html

$$$$
WS6 .cdx
csChFnd80/09132414022D

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>  <URL> (587)
http://www.selleckchem.com/products/gf109203x.html

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1062243-51-9

>  <URL> (588)
http://www.selleckchem.com/products/ro3280.html

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Free Base

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1421227-52-2

>  <URL> (589)
http://www.selleckchem.com/products/ws3.html

$$$$
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>  <CAS> (590)
1369761-01-2

>  <URL> (590)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

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no

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71203-35-5

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477-47-4

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377090-84-1

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http://www.selleckchem.com/products/su9516.html

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20069-09-4

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1056901-62-2

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SR-2156

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FAK

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Free Base

>  <CAS> (600)
1061353-68-1

>  <URL> (600)
http://www.selleckchem.com/products/pnd-1186-vs-4718.html

$$$$
Defactinib.cdx
csChFnd80/09132414022D

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>  <Formula> (601)
C20H21F3N8O3S

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S7654

>  <Name> (601)
Defactinib (VS-6063, PF-04554878)

>  <Synonyms> (601)
VS-6063, PF-04554878

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FAK

>  <Form> (601)
Free Base

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1073154-85-4

>  <URL> (601)
http://www.selleckchem.com/products/defactinib.html

$$$$
GSK2578215A.cdx
csChFnd80/09132414022D

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643

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C24H18FN3O2

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GSK2578215A

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N/A

>  <Target> (602)
LRRK2

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Free Base

>  <CAS> (602)
1285515-21-0

>  <URL> (602)
http://www.selleckchem.com/products/gsk2578215a.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/09132414022D

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EGFR

>  <Form> (603)
Free Base

>  <CAS> (603)
1092364-38-9

>  <URL> (603)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
LY2584702.cdx
csChFnd80/09132414022D

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S6 Kinase

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Free Base

>  <CAS> (604)
1082949-67-4

>  <URL> (604)
http://www.selleckchem.com/products/ly2584702.html

$$$$
PI-3065.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (605)
646

>  <Formula> (605)
C27H31FN6OS

>  <MolWeight> (605)
506.6380432

>  <Cat> (605)
S7623

>  <Name> (605)
PI-3065

>  <Synonyms> (605)
N/A

>  <Target> (605)
PI3K

>  <Form> (605)
Free Base

>  <CAS> (605)
955977-50-1

>  <URL> (605)
http://www.selleckchem.com/products/pi-3065.html

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/09132414022D

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647

>  <Formula> (606)
C24H28Cl2N2O4

>  <MolWeight> (606)
479.39612

>  <Cat> (606)
S7720

>  <Name> (606)
SBE 13 HCl

>  <Synonyms> (606)
N/A

>  <Target> (606)
PLK

>  <Form> (606)
Hydrochloride

>  <CAS> (606)
1052532-15-6

>  <URL> (606)
http://www.selleckchem.com/products/sbe-13-hcl.html

$$$$
Bikinin.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (607)
648

>  <Formula> (607)
C9H9BrN2O3

>  <MolWeight> (607)
273.08336

>  <Cat> (607)
S7722

>  <Name> (607)
Bikinin

>  <Synonyms> (607)
N/A

>  <Target> (607)
GSK-3

>  <Form> (607)
Free Base

>  <CAS> (607)
188011-69-0

>  <URL> (607)
http://www.selleckchem.com/products/bikinin.html

$$$$
Salirasib.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (608)
649

>  <Formula> (608)
C22H30O2S

>  <MolWeight> (608)
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>  <Cat> (608)
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Salirasib

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>  <Target> (608)
Rho

>  <Form> (608)
Free Base

>  <CAS> (608)
162520-00-5

>  <URL> (608)
http://www.selleckchem.com/products/salirasib.html

$$$$
SD208.cdx
csChFnd80/09132414022D

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LY2584702 tosylate

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>  <Target> (612)
S6 Kinase

>  <Form> (612)
Free Base

>  <CAS> (612)
1082949-68-5

>  <URL> (612)
http://www.selleckchem.com/products/ly2584702-tosylate.html

$$$$
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>  <Name> (613)
RN486

>  <Synonyms> (613)
N/A

>  <Target> (613)
BTK

>  <Form> (613)
Free Base

>  <CAS> (613)
no

>  <URL> (613)
http://www.selleckchem.com/products/rn486.html

$$$$
Dovitinib Lactate.cdx
csChFnd80/09132414022D

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656

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C24H27FN6O4

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>  <Name> (614)
Dovitinib (TKI258) Lactate

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N/A

>  <Target> (614)
FLT3

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Lactate

>  <CAS> (614)
915769-50-5

>  <URL> (614)
http://www.selleckchem.com/products/dovitinib-tki258-lactate.html

$$$$
BLZ945.cdx
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CSF-1R

>  <Form> (615)
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953769-46-5

>  <URL> (615)
http://www.selleckchem.com/products/blz945.html

$$$$
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 25 12  1  0  0  0  0
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M  END
>  <Mol_ID> (620)
663

>  <Formula> (620)
C22H27FN4O2

>  <MolWeight> (620)
398.4737832

>  <Cat> (620)
S7781

>  <Name> (620)
Sunitinib

>  <Synonyms> (620)
SU11248

>  <Target> (620)
PDGFR

>  <Form> (620)
Free Base

>  <CAS> (620)
557795-19-4

>  <URL> (620)
http://www.selleckchem.com/products/sunitinib.html

$$$$
Erlotinib free Base.cdx
csChFnd80/09132414022D

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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (621)
664

>  <Formula> (621)
C22H23N3O4

>  <MolWeight> (621)
393.43572

>  <Cat> (621)
S7786

>  <Name> (621)
Erlotinib

>  <Synonyms> (621)
CP358774, NSC 718781

>  <Target> (621)
EGFR

>  <Form> (621)
Free Base

>  <CAS> (621)
183321-74-6

>  <URL> (621)
http://www.selleckchem.com/products/erlotinib.html

$$$$
CL-387785.cdx
csChFnd80/09132414022D

 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
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 18  2  2  0  0  0  0
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M  END
>  <Mol_ID> (622)
665

>  <Formula> (622)
C18H13BrN4O

>  <MolWeight> (622)
381.22602

>  <Cat> (622)
S7557

>  <Name> (622)
CL-387785 (EKI-785)

>  <Synonyms> (622)
N/A

>  <Target> (622)
EGFR

>  <Form> (622)
Free Base

>  <CAS> (622)
194423-06-8

>  <URL> (622)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (623)
666

>  <Formula> (623)
C24H30ClN7O2

>  <MolWeight> (623)
483.9937

>  <Cat> (623)
S1116

>  <Name> (623)
PD 0332991 (Palbociclib) HCl

>  <Synonyms> (623)
N/A

>  <Target> (623)
CDK

>  <Form> (623)
Hydrochloride

>  <CAS> (623)
827022-32-2, 571190-30-2 (free base)

>  <URL> (623)
http://www.selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/09132414022D

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C26H35N7O6S

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>  <Name> (624)
PD 0332991 (Palbociclib) Isethionate

>  <Synonyms> (624)
N/A

>  <Target> (624)
CDK

>  <Form> (624)
Isethionate

>  <CAS> (624)
827022-33-3, 571190-30-2(free base)

>  <URL> (624)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
STF-083010.cdx
csChFnd80/09132414022D

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668

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C15H11NO3S2

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STF-083010

>  <Synonyms> (625)
N/A

>  <Target> (625)
Others

>  <Form> (625)
Free Base

>  <CAS> (625)
307543-71-1

>  <URL> (625)
http://www.selleckchem.com/products/stf-083010.html

$$$$
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>  <Mol_ID> (626)
669

>  <Formula> (626)
C29H28ClN7OS

>  <MolWeight> (626)
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>  <Cat> (626)
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>  <Name> (626)
FRAX597

>  <Synonyms> (626)
N/A

>  <Target> (626)
PAK

>  <Form> (626)
Free Base

>  <CAS> (626)
1286739-19-2

>  <URL> (626)
http://www.selleckchem.com/products/frax597.html

$$$$
Ro-3306.cdx
csChFnd80/09132414022D

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>  <Formula> (627)
C18H13N3OS2

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>  <Cat> (627)
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>  <Name> (627)
Ro-3306

>  <Synonyms> (627)
N/A

>  <Target> (627)
CDK

>  <Form> (627)
Free Base

>  <CAS> (627)
872573-93-8

>  <URL> (627)
http://www.selleckchem.com/products/ro-3306.html

$$$$
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EGFR

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850140-73-7

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946518-60-1

>  <URL> (629)
http://www.selleckchem.com/products/ly2409881.html

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    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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 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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 N   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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  7 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  7  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
 12 28  1  0  0  0  0
 28 29  1  0  0  0  0
 11 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (632)
675

>  <Formula> (632)
C25H29N3O3

>  <MolWeight> (632)
419.51606

>  <Cat> (632)
S7627

>  <Name> (632)
LDN-214117

>  <Synonyms> (632)
N/A

>  <Target> (632)
TGF-beta/Smad

>  <Form> (632)
Free Base

>  <CAS> (632)
1627503-67-6

>  <URL> (632)
http://www.selleckchem.com/products/ldn-214117.html

$$$$
Purvalanol A.cdx
csChFnd80/09132414022D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.6371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3045    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8045    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 15 17  1  0  0  0  0
  7 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 22 26  1  6  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (633)
676

>  <Formula> (633)
C19H25ClN6O

>  <MolWeight> (633)
388.8944

>  <Cat> (633)
S7793

>  <Name> (633)
Purvalanol A

>  <Synonyms> (633)
N/A

>  <Target> (633)
CDK

>  <Form> (633)
Free Base

>  <CAS> (633)
212844-53-6

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

$$$$
AZD2932.cdx
csChFnd80/09132414022D

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
    8.4871    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6956    4.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0650    4.6166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    5.8290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8282    6.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1573    5.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9964    4.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7175    7.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 26  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (634)
677

>  <Formula> (634)
C24H25N5O4

>  <MolWeight> (634)
447.4864

>  <Cat> (634)
S7003

>  <Name> (634)
AZD2932

>  <Synonyms> (634)
N/A

>  <Target> (634)
PDGFR

>  <Form> (634)
Free Base

>  <CAS> (634)
883986-34-3

>  <URL> (634)
http://www.selleckchem.com/products/azd2932.html

$$$$
Anisomycin.cdx
csChFnd80/09132414022D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.6458    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6359    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8463    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0627    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0726    2.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2851    2.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5005    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4235    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2080    0.7121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0746    2.1138    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7069    2.4127    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9309    0.1585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1222    3.0425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8318    5.4041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8418    4.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4895    4.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1447    3.6948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  6  0  0  0
 12 19  1  1  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (635)
678

>  <Formula> (635)
C14H19NO4

>  <MolWeight> (635)
265.30496

>  <Cat> (635)
S7409

>  <Name> (635)
Anisomycin

>  <Synonyms> (635)
Flagecidin 

>  <Target> (635)
JNK

>  <Form> (635)
Free Base

>  <CAS> (635)
22862-76-6

>  <URL> (635)
http://www.selleckchem.com/products/anisomycin.html

$$$$
MHY1485.cdx
csChFnd80/09132414022D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0392    4.2374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0529    2.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8399    2.1298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6281    2.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6143    4.2221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125    4.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2611    2.1484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4734    2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4724    4.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6915    4.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8819    4.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8839    2.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6649    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0901    4.9759    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.0901    6.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3026    4.2759    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0019    8.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0107    7.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7851    9.1248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (640)
683

>  <Formula> (640)
C25H25ClN6O4S

>  <MolWeight> (640)
541.0218

>  <Cat> (640)
S7645

>  <Name> (640)
Pilaralisib (XL147)

>  <Synonyms> (640)
N/A

>  <Target> (640)
PI3K

>  <Form> (640)
Free Base

>  <CAS> (640)
934526-89-3

>  <URL> (640)
http://www.selleckchem.com/products/pilaralisib-xl147.html

$$$$
AT7519 HCl.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (641)
684

>  <Formula> (641)
C16H18Cl3N5O2

>  <MolWeight> (641)
418.70542

>  <Cat> (641)
S7808

>  <Name> (641)
AT7519 HCl

>  <Synonyms> (641)
N/A

>  <Target> (641)
CDK

>  <Form> (641)
Hydrochloride

>  <CAS> (641)
902135-91-5

>  <URL> (641)
http://www.selleckchem.com/products/at7519-hcl.html

$$$$
ARRY-614.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (642)
685

>  <Formula> (642)
C31H33FN6O3

>  <MolWeight> (642)
556.6305232

>  <Cat> (642)
S7799

>  <Name> (642)
Pexmetinib (ARRY-614)

>  <Synonyms> (642)
N/A

>  <Target> (642)
p38 MAPK

>  <Form> (642)
Free Base

>  <CAS> (642)
945614-12-0

>  <URL> (642)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

$$$$
LY3009120.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (643)
686

>  <Formula> (643)
C23H29FN6O

>  <MolWeight> (643)
424.5143632

>  <Cat> (643)
S7842

>  <Name> (643)
LY3009120

>  <Synonyms> (643)
N/A

>  <Target> (643)
Raf

>  <Form> (643)
Free Base

>  <CAS> (643)
1454682-72-4

>  <URL> (643)
http://www.selleckchem.com/products/ly3009120.html

$$$$
HTH-01-015.cdx
csChFnd80/09132414022D

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AMPK

>  <Form> (644)
Free Base

>  <CAS> (644)
1613724-42-7

>  <URL> (644)
http://www.selleckchem.com/products/hth-01-015.html

$$$$
PLX3397.cdx
csChFnd80/09132414022D

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688

>  <Formula> (645)
C20H15ClF3N5

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S7818

>  <Name> (645)
Pexidartinib (PLX3397)

>  <Synonyms> (645)
N/A

>  <Target> (645)
CSF-1R

>  <Form> (645)
Free Base

>  <CAS> (645)
1029044-16-3

>  <URL> (645)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (646)
689

>  <Formula> (646)
C21H21F3IN3O2

>  <MolWeight> (646)
531.3100196

>  <Cat> (646)
S8041

>  <Name> (646)
Cobimetinib (GDC-0973, RG7420)

>  <Synonyms> (646)
XL518

>  <Target> (646)
MEK

>  <Form> (646)
Free Base

>  <CAS> (646)
934660-93-2

>  <URL> (646)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BVD-523.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (647)
690

>  <Formula> (647)
C21H22Cl2N4O2

>  <MolWeight> (647)
433.33098

>  <Cat> (647)
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>  <Name> (647)
Ulixertinib (BVD-523, VRT752271)

>  <Synonyms> (647)
N/A

>  <Target> (647)
ERK

>  <Form> (647)
Free Base

>  <CAS> (647)
869886-67-9

>  <URL> (647)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
Dorsomorphin.cdx
csChFnd80/09132414022D

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C24H25N5O

>  <MolWeight> (648)
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Dorsomorphin (Compound C)

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Compound C, BML-275

>  <Target> (648)
AMPK

>  <Form> (648)
Free Base

>  <CAS> (648)
866405-64-3

>  <URL> (648)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$

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>  <Mol_ID> (649)
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C26H28N4O3

>  <MolWeight> (649)
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>  <Cat> (649)
S7921

>  <Name> (649)
DEL-22379

>  <Synonyms> (649)
N/A

>  <Target> (649)
ERK

>  <Form> (649)
Free Base

>  <CAS> (649)
181223-80-3

>  <URL> (649)
http://www.selleckchem.com/products/del-22379.html

$$$$
ASP015K.cdx
csChFnd80/09132414022D

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693

>  <Formula> (650)
C18H22N4O2

>  <MolWeight> (650)
326.39288

>  <Cat> (650)
S7650

>  <Name> (650)
Peficitinib (ASP015K, JNJ-54781532)

>  <Synonyms> (650)
N/A

>  <Target> (650)
JAK

>  <Form> (650)
Free Base

>  <CAS> (650)
944118-01-8

>  <URL> (650)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
Entrectinib (RXDX-101, NMS-E628).cdx
csChFnd80/09132414022D

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694

>  <Formula> (651)
C31H34F2N6O2

>  <MolWeight> (651)
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>  <Cat> (651)
S7998

>  <Name> (651)
Entrectinib (RXDX-101)

>  <Synonyms> (651)
NMS-E628

>  <Target> (651)
Trk receptor

>  <Form> (651)
Free Base

>  <CAS> (651)
1108743-60-7

>  <URL> (651)
http://www.selleckchem.com/products/entrectinib-rxdx-101.html

$$$$
CH5126766 (RO5126766).cdx
csChFnd80/09132414022D

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N/A

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FGFR

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Free Base

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1633044-56-0

>  <URL> (656)
http://www.selleckchem.com/products/fiin-2.html

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LM-3334 VX-509.cdx
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>  <Synonyms> (657)
N/A

>  <Target> (657)
JAK

>  <Form> (657)
Free Base

>  <CAS> (657)
944842-54-0

>  <URL> (657)
http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
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csChFnd80/09132414022D

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ERK

>  <Form> (658)
Free Base

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896720-20-0

>  <URL> (658)
http://www.selleckchem.com/products/vx-11e.html

$$$$
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http://www.selleckchem.com/products/azd3759.html

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934493-76-2

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http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

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431898-65-6

>  <URL> (661)
http://www.selleckchem.com/products/ps-1145.html

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1627709-94-7

>  <URL> (662)
http://www.selleckchem.com/products/lji308.html

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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 11 19  2  0  0  0  0
  1 20  1  0  0  0  0
M  END
>  <Mol_ID> (672)
719

>  <Formula> (672)
C16H11BrN2O

>  <MolWeight> (672)
327.17534

>  <Cat> (672)
S7917

>  <Name> (672)
Kenpaullone

>  <Synonyms> (672)
N/A

>  <Target> (672)
CDK

>  <Form> (672)
Free Base

>  <CAS> (672)
142273-20-9

>  <URL> (672)
http://www.selleckchem.com/products/kenpaullone.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/09132414022D

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.5273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.4273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9154    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3318    3.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  1  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
 15 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (673)
720

>  <Formula> (673)
C19H27N5O6S

>  <MolWeight> (673)
453.51258

>  <Cat> (673)
S8195

>  <Name> (673)
Oclacitinib maleate

>  <Synonyms> (673)
PF-03394197

>  <Target> (673)
JAK

>  <Form> (673)
Free Base

>  <CAS> (673)
1640292-55-2

>  <URL> (673)
http://www.selleckchem.com/products/oclacitinib-maleate.html

$$$$
MLN2480.cdx
csChFnd80/09132414022D

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.2124    8.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.3435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.4435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.4435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.6435    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.5435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.5435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.1435    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    2.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    1.0512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    0.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    3.0130    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4634    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0328    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2099    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7794    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4252    1.5716    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1717    3.9832    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
M  END
>  <Mol_ID> (674)
721

>  <Formula> (674)
C17H12Cl2F3N7O2S

>  <MolWeight> (674)
506.2890896

>  <Cat> (674)
S7121

>  <Name> (674)
MLN2480

>  <Synonyms> (674)
BIIB-024

>  <Target> (674)
Raf

>  <Form> (674)
Free Base

>  <CAS> (674)
1096708-71-2

>  <URL> (674)
http://www.selleckchem.com/products/mln2480.html

$$$$
Acalabrutinib.cdx
csChFnd80/09132414022D

 35 39  0  0  0  0  0  0  0  0999 V2000
    2.2264    8.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2264    7.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    6.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6512    7.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6512    8.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    9.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388   11.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2264   11.7414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.8692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9617    2.1544    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5291    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7943    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3617    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 18  1  0  0  0  0
 21 25  1  0  0  0  0
 17 18  1  0  0  0  0
 26 19  1  1  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 26  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  3  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (675)
722

>  <Formula> (675)
C26H23N7O2

>  <MolWeight> (675)
465.50652

>  <Cat> (675)
S8116

>  <Name> (675)
Acalabrutinib (ACP-196)

>  <Synonyms> (675)
N/A

>  <Target> (675)
BTK

>  <Form> (675)
Free Base

>  <CAS> (675)
1420477-60-6

>  <URL> (675)
http://www.selleckchem.com/products/acalabrutinib.html

$$$$
PIK-III.cdx
csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
  7 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 19  7  1  0  0  0  0
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 17 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
>  <Mol_ID> (676)
723

>  <Formula> (676)
C17H17N7

>  <MolWeight> (676)
319.36378

>  <Cat> (676)
S7683

>  <Name> (676)
PIK-III

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>  <Synonyms> (680)
N/A

>  <Target> (680)
ERK

>  <Form> (680)
Free Base

>  <CAS> (680)
839707-37-8

>  <URL> (680)
http://www.selleckchem.com/products/pluripotin-sc1.html

$$$$

csChFnd80/09132414022D

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729

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C22H20N4O

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356.4204

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S1058

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BI-1347

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N/A

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CDK

>  <Form> (681)
Free Base

>  <CAS> (681)
2163056-91-3

>  <URL> (681)
http://www.selleck.cn/products/bi-1347.html

$$$$
PLX7904.cdx
csChFnd80/09132414022D

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730

>  <Formula> (682)
C24H22F2N6O3S

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>  <Cat> (682)
S7964

>  <Name> (682)
PLX7904

>  <Synonyms> (682)
PB04

>  <Target> (682)
Raf

>  <Form> (682)
Free Base

>  <CAS> (682)
1393465-84-3

>  <URL> (682)
http://www.selleckchem.com/products/plx7904.html

$$$$
Dihydrostreptomycin sulfate.cdx
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M  END
>  <Mol_ID> (683)
731

>  <Formula> (683)
C42H88N14O36S3

>  <MolWeight> (683)
1461.41532

>  <Cat> (683)
S4523

>  <Name> (683)
Dihydrostreptomycin sulfate

>  <Synonyms> (683)
N/A

>  <Target> (683)
Antifection

>  <Form> (683)
1.5Sulfate

>  <CAS> (683)
5490-27-7

>  <URL> (683)
http://www.selleckchem.com/products/dihydrostreptomycin-sulfate.html

$$$$
MRT68921.cdx
csChFnd80/09132414022D

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A   35
xHCl
M  END
>  <Mol_ID> (684)
732

>  <Formula> (684)
C26H36N6O2R

>  <MolWeight> (684)
464.60304

>  <Cat> (684)
S7948

>  <Name> (684)
MRT67307 HCl

>  <Synonyms> (684)
N/A

>  <Target> (684)
I¦ÊB/IKK

>  <Form> (684)
hydrochloride

>  <CAS> (684)
1190378-57-4 (free-base)

>  <URL> (684)
http://www.selleckchem.com/products/mrt67307.html

$$$$
MRT67307.cdx
csChFnd80/09132414022D

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A   33
XHCl
M  END
>  <Mol_ID> (685)
733

>  <Formula> (685)
C25H34N6OR

>  <MolWeight> (685)
434.57706

>  <Cat> (685)
S7949

>  <Name> (685)
MRT68921 HCl

>  <Synonyms> (685)
N/A

>  <Target> (685)
Autophagy

>  <Form> (685)
hydrochloride

>  <CAS> (685)
1190379-70-4 (free base)

>  <URL> (685)
http://www.selleckchem.com/products/mrt68921.html

$$$$
BI-78D3.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (686)
734

>  <Formula> (686)
C13H9N5O5S2

>  <MolWeight> (686)
379.37106

>  <Cat> (686)
S8201

>  <Name> (686)
BI-78D3

>  <Synonyms> (686)
N/A

>  <Target> (686)
JNK

>  <Form> (686)
Free Base

>  <CAS> (686)
883065-90-5

>  <URL> (686)
http://www.selleckchem.com/products/bi-78d3.html

$$$$
IC261.cdx
csChFnd80/09132414022D

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NQDI-1

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N/A

>  <Target> (691)
Caspase

>  <Form> (691)
Free Base

>  <CAS> (691)
175026-96-7

>  <URL> (691)
http://www.selleckchem.com/products/nqdi-1.html

$$$$
Kobe0065.cdx
csChFnd80/09132414022D

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740

>  <Formula> (692)
C15H11ClF3N5O4S

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449.7921496

>  <Cat> (692)
S8303

>  <Name> (692)
Kobe0065

>  <Synonyms> (692)
N/A

>  <Target> (692)
Rho

>  <Form> (692)
Free Base

>  <CAS> (692)
436133-68-5

>  <URL> (692)
http://www.selleckchem.com/products/kobe0065.html

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (693)
741

>  <Formula> (693)
C26H26N6O2S

>  <MolWeight> (693)
486.58864

>  <Cat> (693)
S8294

>  <Name> (693)
Olmutinib (HM61713, BI 1482694)

>  <Synonyms> (693)
BI 1482694, HM61713, HM71224

>  <Target> (693)
EGFR

>  <Form> (693)
Free Base

>  <CAS> (693)
1353550-13-6

>  <URL> (693)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
5-Iodotubercidin.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (694)
742

>  <Formula> (694)
C11H13IN4O4

>  <MolWeight> (694)
392.14979

>  <Cat> (694)
S8314

>  <Name> (694)
5-Iodotubercidin

>  <Synonyms> (694)
NSC 113939, 5-ITu

>  <Target> (694)
Adenosine Receptor

>  <Form> (694)
Free Base

>  <CAS> (694)
24386-93-4

>  <URL> (694)
http://www.selleckchem.com/products/5-iodotubercidin.html

$$$$
S4690 Vitamin E.cdx
csChFnd80/09132414022D

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743

>  <Formula> (695)
C29H50O2

>  <MolWeight> (695)
430.7061

>  <Cat> (695)
S4686

>  <Name> (695)
Vitamin E

>  <Synonyms> (695)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (695)
COX,VEGFR

>  <Form> (695)
Free Base

>  <CAS> (695)
21590

>  <URL> (695)
http://www.selleckchem.com/products/vitamin-e.html

$$$$
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csChFnd80/09132414022D

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>  <Mol_ID> (696)
744

>  <Formula> (696)
C16H19N3O4S

>  <MolWeight> (696)
349.40476

>  <Cat> (696)
S4671

>  <Name> (696)
Cefradine

>  <Synonyms> (696)
Cephradine, Sefril, Anspor, Cephradin, Velosef

>  <Target> (696)
Antifection

>  <Form> (696)
Free Base

>  <CAS> (696)
38821-53-3

>  <URL> (696)
http://www.selleckchem.com/products/cefradine.html

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (697)
745

>  <Formula> (697)
C15H10O4

>  <MolWeight> (697)
254.2375

>  <Cat> (697)
S8319

>  <Name> (697)
7,8-Dihydroxyflavone

>  <Synonyms> (697)
7,8-DHF

>  <Target> (697)
Trk receptor

>  <Form> (697)
Free Base

>  <CAS> (697)
38183-03-8

>  <URL> (697)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

$$$$
MLR-1023.cdx
csChFnd80/09132414022D

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746

>  <Formula> (698)
C11H10N2O2

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202.2093

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S8321

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MLR-1023

>  <Synonyms> (698)
Tolimidone, CP-26154

>  <Target> (698)
Others

>  <Form> (698)
Free Base

>  <CAS> (698)
41964-07-2

>  <URL> (698)
http://www.selleckchem.com/products/mlr-1023.html

$$$$
LY3023414.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (699)
747

>  <Formula> (699)
C23H26N4O3

>  <MolWeight> (699)
406.47754

>  <Cat> (699)
S8322

>  <Name> (699)
LY3023414

>  <Synonyms> (699)
GTPL8918

>  <Target> (699)
Akt

>  <Form> (699)
Free Base

>  <CAS> (699)
1386874-06-1

>  <URL> (699)
http://www.selleckchem.com/products/ly3023414.html

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/09132414022D

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748

>  <Formula> (700)
C24H24FN7O

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>  <Name> (700)
Selonsertib (GS-4997)

>  <Synonyms> (700)
N/A

>  <Target> (700)
Caspase

>  <Form> (700)
Free Base

>  <CAS> (700)
1448428-04-3

>  <URL> (700)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

$$$$
LY333531.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (701)
749

>  <Formula> (701)
C28H29ClN4O3

>  <MolWeight> (701)
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>  <Cat> (701)
S7663

>  <Name> (701)
LY333531 HCl

>  <Synonyms> (701)
Ruboxistaurin

>  <Target> (701)
PKC

>  <Form> (701)
hydrochloride

>  <CAS> (701)
169939-93-9

>  <URL> (701)
http://www.selleckchem.com/products/ly333531.html

$$$$
FRAX486.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (702)
750

>  <Formula> (702)
C25H23Cl2FN6O

>  <MolWeight> (702)
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>  <Cat> (702)
S7807

>  <Name> (702)
FRAX486

>  <Synonyms> (702)
N/A

>  <Target> (702)
PAK

>  <Form> (702)
Free Base

>  <CAS> (702)
1232030-35-1

>  <URL> (702)
http://www.selleckchem.com/products/frax486.html

$$$$
VO-Ohpic.cdx
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>  <Mol_ID> (703)
751

>  <Formula> (703)
C12H15N2O11V

>  <MolWeight> (703)
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>  <Cat> (703)
S8174

>  <Name> (703)
VO-Ohpic trihydrate

>  <Synonyms> (703)
N/A

>  <Target> (703)
Others

>  <Form> (703)
trihydrate

>  <CAS> (703)
476310-60-8

>  <URL> (703)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
EAI045.cdx
csChFnd80/09132414022D

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1942114-09-1

>  <URL> (704)
http://www.selleckchem.com/products/eai045.html

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Shikonin.cdx
csChFnd80/09132414022D

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Shikonin

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N/A

>  <Target> (705)
Others

>  <Form> (705)
Free Base

>  <CAS> (705)
517-89-5

>  <URL> (705)
http://www.selleckchem.com/products/shikonin.html

$$$$
AZD8835.cdx
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N/A

>  <Target> (706)
PI3K

>  <Form> (706)
Free Base

>  <CAS> (706)
1620576-64-8

>  <URL> (706)
http://www.selleckchem.com/products/azd8835.html

$$$$
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csChFnd80/09132414022D

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C18H15N5O6S2

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Necrosulfonamide

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N/A

>  <Target> (707)
Others

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Free Base

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1360614-48-7

>  <URL> (707)
http://www.selleckchem.com/products/necrosulfonamide.html

$$$$
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BAY-61-3606

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Syk

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dihydrochloride

>  <CAS> (708)
648903-57-5

>  <URL> (708)
http://www.selleckchem.com/products/bay-61-3606.html

$$$$
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>  <Mol_ID> (709)
757

>  <Formula> (709)
C21H24F3N7O2

>  <MolWeight> (709)
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>  <Cat> (709)
S8358

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WNK463

>  <Synonyms> (709)
N/A

>  <Target> (709)
Others

>  <Form> (709)
Free Base

>  <CAS> (709)
2012607-27-9

>  <URL> (709)
http://www.selleckchem.com/products/wnk463.html

$$$$
LOXO-101.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (710)
758

>  <Formula> (710)
C21H24F2N6O6S

>  <MolWeight> (710)
526.5136664

>  <Cat> (710)
S7960

>  <Name> (710)
LOXO-101(sulfate)

>  <Synonyms> (710)
N/A

>  <Target> (710)
Trk receptor

>  <Form> (710)
sulfate

>  <CAS> (710)
1223405-08-0

>  <URL> (710)
http://www.selleckchem.com/products/loxo-101.html

$$$$
APS-2-79.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (711)
759

>  <Formula> (711)
C23H22ClN3O3

>  <MolWeight> (711)
423.89208

>  <Cat> (711)
S8355

>  <Name> (711)
APS-2-79 HCl

>  <Synonyms> (711)
N/A

>  <Target> (711)
MEK

>  <Form> (711)
hydrochloride

>  <CAS> (711)
2002381-31-7

>  <URL> (711)
http://www.selleckchem.com/products/aps-2-79.html

$$$$
NSC228155.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (712)
760

>  <Formula> (712)
C11H6N4O4S

>  <MolWeight> (712)
290.25474

>  <Cat> (712)
S8312

>  <Name> (712)
NSC228155

>  <Synonyms> (712)
N/A

>  <Target> (712)
EGFR

>  <Form> (712)
Free Base

>  <CAS> (712)
113104-25-9

>  <URL> (712)
http://www.selleckchem.com/products/nsc228155.html

$$$$
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M  END
>  <Mol_ID> (713)
761

>  <Formula> (713)
C23H28N8O

>  <MolWeight> (713)
432.52142

>  <Cat> (713)
S7144

>  <Name> (713)
BMS-911543

>  <Synonyms> (713)
N/A

>  <Target> (713)
JAK

>  <Form> (713)
Free Base

>  <CAS> (713)
1271022-90-2

>  <URL> (713)
http://www.selleckchem.com/products/bms-911543.html

$$$$
Deguelin.cdx
csChFnd80/09132414022D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (714)
762

>  <Formula> (714)
C23H22O6

>  <MolWeight> (714)
394.41718

>  <Cat> (714)
S8132

>  <Name> (714)
Deguelin

>  <Synonyms> (714)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (714)
Akt

>  <Form> (714)
Free Base

>  <CAS> (714)
522-17-8

>  <URL> (714)
http://www.selleckchem.com/products/deguelin.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/09132414022D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (715)
763

>  <Formula> (715)
C22H15F3N4O2

>  <MolWeight> (715)
424.3753096

>  <Cat> (715)
S8189

>  <Name> (715)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (715)
N/A

>  <Target> (715)
VEGFR

>  <Form> (715)
Free Base

>  <CAS> (715)
861875-60-7

>  <URL> (715)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/09132414022D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (716)
764

>  <Formula> (716)
C19H20F2N4O4

>  <MolWeight> (716)
406.3833064

>  <Cat> (716)
S8125

>  <Name> (716)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (716)
N/A

>  <Target> (716)
p38 MAPK

>  <Form> (716)
Free Base

>  <CAS> (716)
449811-01-2

>  <URL> (716)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
Alantolactone.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (717)
765

>  <Formula> (717)
C15H20O2

>  <MolWeight> (717)
232.3181

>  <Cat> (717)
S8318

>  <Name> (717)
Alantolactone

>  <Synonyms> (717)
helenin, helenine, Eupatal

>  <Target> (717)
Others

>  <Form> (717)
Free Base

>  <CAS> (717)
546-43-0

>  <URL> (717)
http://www.selleckchem.com/products/alantolactone.html

$$$$
OICR-9429.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (718)
766

>  <Formula> (718)
C29H32F3N5O3

>  <MolWeight> (718)
555.5912896

>  <Cat> (718)
S7833

>  <Name> (718)
OICR-9429

>  <Synonyms> (718)
N/A

>  <Target> (718)
Histone Methyltransferase

>  <Form> (718)
Free Base

>  <CAS> (718)
1801787-56-3

>  <URL> (718)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
BFH772.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (719)
767

>  <Formula> (719)
C23H16F3N3O3

>  <MolWeight> (719)
439.3866496

>  <Cat> (719)
S8188

>  <Name> (719)
BFH772

>  <Synonyms> (719)
BFH 772, BFH-772

>  <Target> (719)
VEGFR

>  <Form> (719)
Free Base

>  <CAS> (719)
890128-81-1

>  <URL> (719)
http://www.selleckchem.com/products/bfh772.html

$$$$
GSK269962.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (720)
768

>  <Formula> (720)
C29H31ClN8O5

>  <MolWeight> (720)
607.06004

>  <Cat> (720)
S7687

>  <Name> (720)
GSK269962 HCl

>  <Synonyms> (720)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (720)
ROCK

>  <Form> (720)
hydrochloride

>  <CAS> (720)
850664-21-0(free base)

>  <URL> (720)
http://www.selleckchem.com/products/gsk269962.html

$$$$
NT157.cdx
csChFnd80/09132414022D

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1384426-12-3

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csChFnd80/09132414022D

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1446790-62-0

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http://www.selleckchem.com/products/ro9021.html

$$$$
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HER2

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937263-43-9

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http://www.selleckchem.com/products/arry-380-ont-380.html

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PI3K

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1382979-44-3

>  <URL> (725)
http://www.selleckchem.com/products/gdc-0084.html

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csChFnd80/09132414022D

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N/A

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hydrochloride

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110448-33-4

>  <URL> (726)
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>  <Synonyms> (727)
N/A

>  <Target> (727)
DNA-PK

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Free Base

>  <CAS> (727)
1228013-15-7

>  <URL> (727)
http://www.selleckchem.com/products/cc-115.html

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mTOR

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>  <CAS> (728)
1429639-50-8

>  <URL> (728)
http://www.selleckchem.com/products/cz415.html

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 30  8  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (729)
777

>  <Formula> (729)
C23H24N6O2

>  <MolWeight> (729)
416.47566

>  <Cat> (729)
S8273

>  <Name> (729)
XMD16-5

>  <Synonyms> (729)
N/A

>  <Target> (729)
ACK

>  <Form> (729)
Free Base

>  <CAS> (729)
1345098-78-3

>  <URL> (729)
http://www.selleckchem.com/products/xmd16-5.html

$$$$
XMD8-87.cdx
csChFnd80/09132414022D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (730)
778

>  <Formula> (730)
C24H27N7O2

>  <MolWeight> (730)
445.51688

>  <Cat> (730)
S8272

>  <Name> (730)
XMD8-87

>  <Synonyms> (730)
N/A

>  <Target> (730)
ACK

>  <Form> (730)
Free Base

>  <CAS> (730)
1234480-46-6

>  <URL> (730)
http://www.selleckchem.com/products/xmd8-87.html

$$$$
JNJ-42756493 (Erdafitinib).cdx
csChFnd80/09132414022D

 33 36  0  0  0  0  0  0  0  0999 V2000
    4.8205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (731)
779

>  <Formula> (731)
C25H30N6O2

>  <MolWeight> (731)
446.5447

>  <Cat> (731)
S8401

>  <Name> (731)
JNJ-42756493 (Erdafitinib)

>  <Synonyms> (731)
N/A

>  <Target> (731)
FGFR

>  <Form> (731)
Free Base

>  <CAS> (731)
1346242-81-6

>  <URL> (731)
http://www.selleckchem.com/products/jnj-42756493-erdafitinib.html

$$$$
Y-39983 HCl.cdx
csChFnd80/09132414022D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (732)
780

>  <Formula> (732)
C16H18Cl2N4O

>  <MolWeight> (732)
353.24632

>  <Cat> (732)
S7935

>  <Name> (732)
Y-39983 HCl

>  <Synonyms> (732)
Y-33075 HCl

>  <Target> (732)
ROCK

>  <Form> (732)
dihydrochloride

>  <CAS> (732)
173897-44-4

>  <URL> (732)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/09132414022D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 13  8  1  0  0  0  0
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 14 15  1  0  0  0  0
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 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (733)
781

>  <Formula> (733)
C21H20N2O3S

>  <MolWeight> (733)
380.4601

>  <Cat> (733)
S8448

>  <Name> (733)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (733)
N/A

>  <Target> (733)
ROCK

>  <Form> (733)
Free Base

>  <CAS> (733)
557782-81-7

>  <URL> (733)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
STO-609.cdx
csChFnd80/09132414022D

 24 28  0  0  0  0  0  0  0  0999 V2000
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CaMK

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52029-86-4

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http://www.selleckchem.com/products/sto-609.html

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>  <Synonyms> (735)
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>  <Target> (735)
FGFR

>  <Form> (735)
Free Base

>  <CAS> (735)
102586-30-1

>  <URL> (735)
http://www.selleckchem.com/products/nsc12.html

$$$$
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>  <Formula> (736)
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THZ1 2HCl

>  <Synonyms> (736)
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CDK

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dihydrochloride

>  <CAS> (736)
1604810-83-4(free base)

>  <URL> (736)
http://www.selleckchem.com/products/thz1.html

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Nemiralisib

>  <Target> (737)
PI3K

>  <Form> (737)
Free Base

>  <CAS> (737)
1254036-71-9

>  <URL> (737)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
S4740 Ferulic acid (sodium).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (738)
786

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C10H9NaO4

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S4740

>  <Name> (738)
Sodium ferulate

>  <Synonyms> (738)
Ferulic acid sodium salt

>  <Target> (738)
Thrombin

>  <Form> (738)
Sodium salt

>  <CAS> (738)
24276-84-4

>  <URL> (738)
http://www.selleckchem.com/products/ferulic-acid-sodium.html

$$$$
S49076.cdx
csChFnd80/09132414022D

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787

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C22H22N4O4S

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438.49948

>  <Cat> (739)
S8404

>  <Name> (739)
S49076

>  <Synonyms> (739)
N/A

>  <Target> (739)
c-Met  & FGFR

>  <Form> (739)
Free Base

>  <CAS> (739)
1265965-22-7

>  <URL> (739)
http://www.selleckchem.com/products/s49076.html

$$$$
GSK583.cdx
csChFnd80/09132414022D

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788

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C20H19FN4O2S

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>  <Cat> (740)
S8261

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GSK583

>  <Synonyms> (740)
N/A

>  <Target> (740)
NF-¦ÊB

>  <Form> (740)
Free Base

>  <CAS> (740)
1346547-00-9

>  <URL> (740)
http://www.selleckchem.com/products/gsk583.html

$$$$
ARQ 092.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (741)
789

>  <Formula> (741)
C27H25ClN6

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>  <Cat> (741)
S8339

>  <Name> (741)
Miransertib (ARQ 092)HCl

>  <Synonyms> (741)
Miransertib

>  <Target> (741)
Akt

>  <Form> (741)
hydrochloride

>  <CAS> (741)
1313883-00-9

>  <URL> (741)
http://www.selleckchem.com/products/arq-092.html

$$$$
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M  END
>  <Mol_ID> (742)
790

>  <Formula> (742)
C21H25N7O

>  <MolWeight> (742)
391.4695

>  <Cat> (742)
S8456

>  <Name> (742)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (742)
N/A

>  <Target> (742)
PI3K

>  <Form> (742)
Free Base

>  <CAS> (742)
1383716-46-8

>  <URL> (742)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
BP-1-102.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (743)
791

>  <Formula> (743)
C29H27F5N2O6S

>  <MolWeight> (743)
626.591496

>  <Cat> (743)
S7769

>  <Name> (743)
BP-1-102

>  <Synonyms> (743)
N/A

>  <Target> (743)
STAT

>  <Form> (743)
Free Base

>  <CAS> (743)
1334493-07-0

>  <URL> (743)
http://www.selleckchem.com/products/bp-1-102.html

$$$$
OTS514.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (744)
792

>  <Formula> (744)
C21H21ClN2O2S

>  <MolWeight> (744)
400.92164

>  <Cat> (744)
S7652

>  <Name> (744)
OTS514 hydrochloride

>  <Synonyms> (744)
N/A

>  <Target> (744)
TOPK

>  <Form> (744)
hydrochloride

>  <CAS> (744)
1338540-63-8(free base)

>  <URL> (744)
http://www.selleckchem.com/products/ots514.html

$$$$
S8275-eFT-508.cdx
csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (745)
794

>  <Formula> (745)
C17H20N6O2

>  <MolWeight> (745)
340.3797

>  <Cat> (745)
S8275

>  <Name> (745)
eFT-508 (eFT508)

>  <Synonyms> (745)
N/A

>  <Target> (745)
MNK

>  <Form> (745)
Free Base

>  <CAS> (745)
1849590-01-7

>  <URL> (745)
http://www.selleckchem.com/products/eft-508.html

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/09132414022D

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1163719-56-9

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http://www.selleckchem.com/products/bay-1217389.html

$$$$
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$$$$
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1453834-21-3

>  <URL> (752)
http://www.selleckchem.com/products/ldc4297-ldc044297.html

$$$$
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M  END
>  <Mol_ID> (753)
802

>  <Formula> (753)
C25H23ClN6O3

>  <MolWeight> (753)
490.94152

>  <Cat> (753)
S8166

>  <Name> (753)
ONO-4059 (GS-4059) hydrochloride

>  <Synonyms> (753)
N/A

>  <Target> (753)
BTK

>  <Form> (753)
hydrochloride

>  <CAS> (753)
1439901-97-9

>  <URL> (753)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 13  8  2  0  0  0  0
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M  END
>  <Mol_ID> (754)
803

>  <Formula> (754)
C19H15N3O2

>  <MolWeight> (754)
317.3413

>  <Cat> (754)
S7954

>  <Name> (754)
CP21R7 (CP21)

>  <Synonyms> (754)
N/A

>  <Target> (754)
Wnt/beta-catenin

>  <Form> (754)
Free Base

>  <CAS> (754)
125314-13-8

>  <URL> (754)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/09132414022D

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 14  4  1  0  0  0  0
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M  END
>  <Mol_ID> (755)
804

>  <Formula> (755)
C15H18O2

>  <MolWeight> (755)
230.30222

>  <Cat> (755)
S8291

>  <Name> (755)
Atractylenolide I

>  <Synonyms> (755)
N/A

>  <Target> (755)
Immunology & Inflammation related

>  <Form> (755)
Free Base

>  <CAS> (755)
73069-13-3
73069-13-3

>  <URL> (755)
http://www.selleckchem.com/products/atractylenolide-i.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/09132414022D

 23 23  0  0  0  0  0  0  0  0999 V2000
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A   23
xH2O
M  END
>  <Mol_ID> (756)
805

>  <Formula> (756)
C14H18ClN3O3RS

>  <MolWeight> (756)
343.82902

>  <Cat> (756)
S8208

>  <Name> (756)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (756)
N/A

>  <Target> (756)
ROCK

>  <Form> (756)
hydrochloride

>  <CAS> (756)
155558-32-0 (HCl salt)

>  <URL> (756)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$

csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (757)
806

>  <Formula> (757)
C21H18F3N5O

>  <MolWeight> (757)
413.3957296

>  <Cat> (757)
S2931

>  <Name> (757)
Aurora Kinase Inhibitor III

>  <Synonyms> (757)
N/A

>  <Target> (757)
Aurora Kinase

>  <Form> (757)
Free Base

>  <CAS> (757)
879127-16-9

>  <URL> (757)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

$$$$
SUN11602.cdx
csChFnd80/09132414022D

 33 35  0  0  0  0  0  0  0  0999 V2000
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FGFR

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704869-38-5

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http://www.selleckchem.com/products/sun11602.html

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PI3K

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Free Base

>  <CAS> (759)
1532533-67-7

>  <URL> (759)
http://www.selleckchem.com/products/tgr-1202.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/09132414022D

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>  <Formula> (760)
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>  <MolWeight> (760)
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>  <Cat> (760)
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>  <Name> (760)
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>  <Synonyms> (760)
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>  <Target> (760)
EGFR

>  <Form> (760)
Free Base

>  <CAS> (760)
1508250-71-2

>  <URL> (760)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
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M  END
>  <Mol_ID> (761)
810

>  <Formula> (761)
C23H26Cl2N2O2S

>  <MolWeight> (761)
465.43574

>  <Cat> (761)
S7648

>  <Name> (761)
OTS964

>  <Synonyms> (761)
N/A

>  <Target> (761)
Others

>  <Form> (761)
dihydrochloride

>  <CAS> (761)
1338545-07-5(HCl salt)

>  <URL> (761)
http://www.selleckchem.com/products/ots964.html

$$$$
CC-930.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (762)
811

>  <Formula> (762)
C21H24ClF3N6O2

>  <MolWeight> (762)
484.9024696

>  <Cat> (762)
S8490

>  <Name> (762)
Tanzisertib(CC-930)

>  <Synonyms> (762)
JNK-930|JNKI-1

>  <Target> (762)
JNK

>  <Form> (762)
hydrochloride

>  <CAS> (762)
899805-25-5 (free base)

>  <URL> (762)
http://www.selleckchem.com/products/cc-930.html

$$$$
PD-166866.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (763)
812

>  <Formula> (763)
C20H24N6O3

>  <MolWeight> (763)
396.44296

>  <Cat> (763)
S8493

>  <Name> (763)
PD-166866

>  <Synonyms> (763)
N/A

>  <Target> (763)
FGFR

>  <Form> (763)
Free Base

>  <CAS> (763)
192705-79-6

>  <URL> (763)
http://www.selleckchem.com/products/pd-166866.html

$$$$
BLU-554.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (764)
813

>  <Formula> (764)
C24H24Cl2N4O4

>  <MolWeight> (764)
503.37776

>  <Cat> (764)
S8503

>  <Name> (764)
BLU-554

>  <Synonyms> (764)
N/A

>  <Target> (764)
FGFR

>  <Form> (764)
Free Base

>  <CAS> (764)
1707289-21-1

>  <URL> (764)
http://www.selleckchem.com/products/blu-554.html

$$$$
GSK180736A.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (765)
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>  <MolWeight> (765)
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1224887-10-8

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hydrochloride salt

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1194961-19-7 (free base)

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1883545-60-5

>  <URL> (771)
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free base

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1879887-96-3

>  <URL> (772)
http://www.selleckchem.com/products/lturm34.html

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free base

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1384071-99-1

>  <URL> (773)
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free base

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1437321-24-8

>  <URL> (774)
http://www.selleckchem.com/products/rxdx-106-cep-40783.html

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free base

>  <CAS> (775)
1282514-88-8

>  <URL> (775)
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MSC2530818.cdx
csChFnd80/09132414022D

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>  <Synonyms> (776)
N/A

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free base

>  <CAS> (776)
1883423-59-3

>  <URL> (776)
http://www.selleckchem.com/products/msc2530818.html

$$$$
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>  <Mol_ID> (777)
827

>  <Formula> (777)
C33H29F2N5O4S

>  <MolWeight> (777)
629.6762664

>  <Cat> (777)
S8573

>  <Name> (777)
Sitravatinib (MGCD516)

>  <Synonyms> (777)
MG-516

>  <Target> (777)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (777)
free base

>  <CAS> (777)
1123837-84-2

>  <URL> (777)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

$$$$
3BDO.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (778)
828

>  <Formula> (778)
C18H17NO5

>  <MolWeight> (778)
327.33128

>  <Cat> (778)
S8317

>  <Name> (778)
3BDO

>  <Synonyms> (778)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (778)
FKBP1A

>  <Form> (778)
free base

>  <CAS> (778)
890405-51-3

>  <URL> (778)
http://www.selleckchem.com/products/3bdo.html

$$$$
TPX-0005.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (779)
829

>  <Formula> (779)
C18H18FN5O2

>  <MolWeight> (779)
355.3662232

>  <Cat> (779)
S8583

>  <Name> (779)
TPX-0005

>  <Synonyms> (779)
N/A

>  <Target> (779)
 ALK,ALK(L1196M),ALK(G1202R),Src 

>  <Form> (779)
free base

>  <CAS> (779)
no

>  <URL> (779)
http://www.selleckchem.com/products/tpx-0005.html

$$$$
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csChFnd80/09132414022D

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>  <Mol_ID> (780)
830

>  <Formula> (780)
C20H19N5O3

>  <MolWeight> (780)
377.39656

>  <Cat> (780)
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>  <Name> (780)
GSK2982772

>  <Synonyms> (780)
N/A

>  <Target> (780)
human RIP1

>  <Form> (780)
free base

>  <CAS> (780)
1622848-92-3

>  <URL> (780)
http://www.selleckchem.com/products/gsk2982772.html

$$$$
Amcasertib (BBI503).cdx
csChFnd80/09132414022D

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PI3K¦Ã

>  <CAS> (783)
1693758-51-8

>  <URL> (783)
http://www.selleckchem.com/products/ipi-549.html

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>  <URL> (784)
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N/A

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TrkC,TrkB,TrkA

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free base

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1402438-74-7

>  <URL> (785)
http://www.selleckchem.com/products/pf-06273340.html

$$$$
GSK'872 (GSK2399872A).cdx
csChFnd80/09132414022D

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836

>  <Formula> (786)
C19H17N3O2S2

>  <MolWeight> (786)
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S8465

>  <Name> (786)
GSK'872 (GSK2399872A)

>  <Synonyms> (786)
N/A

>  <Target> (786)
RIP3K

>  <Form> (786)
Free base

>  <CAS> (786)
1346546-69-7

>  <URL> (786)
http://www.selleckchem.com/products/GSK872-GSK2399872A.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/09132414022D

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837

>  <Formula> (787)
C19H17N5O3

>  <MolWeight> (787)
363.36998

>  <Cat> (787)
S8581

>  <Name> (787)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Synonyms> (787)
N/A

>  <Target> (787)
PI3K¦Á 

>  <Form> (787)
Free base

>  <CAS> (787)
1268454-23-4

>  <URL> (787)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/09132414022D

  7  6  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (788)
838

>  <Formula> (788)
C2HCl2NaO2

>  <MolWeight> (788)
150.92391

>  <Cat> (788)
S8615

>  <Name> (788)
Sodium dichloroacetate (DCA)

>  <Synonyms> (788)
bichloroacetic acid, BCA

>  <Target> (788)
PDK

>  <Form> (788)
sodium salt

>  <CAS> (788)
2156-56-1

>  <URL> (788)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (789)
839

>  <Formula> (789)
C33H44FN5O3

>  <MolWeight> (789)
577.7325632

>  <Cat> (789)
S8511

>  <Name> (789)
Belizatinib (TSR-011)

>  <Synonyms> (789)
N/A

>  <Target> (789)
ALK,TRK

>  <Form> (789)
free base

>  <CAS> (789)
1357920-84-3

>  <URL> (789)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

$$$$
Autophinib.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (790)
840

>  <Formula> (790)
C14H11ClN6O3

>  <MolWeight> (790)
346.72854

>  <Cat> (790)
S8596

>  <Name> (790)
Autophinib

>  <Synonyms> (790)
N/A

>  <Target> (790)
autophagy

>  <Form> (790)
free base

>  <CAS> (790)
1644443-47-9

>  <URL> (790)
http://www.selleckchem.com/products/autophinib.html

$$$$
PRN1371.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (791)
841

>  <Formula> (791)
C26H30Cl2N6O4

>  <MolWeight> (791)
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>  <Cat> (791)
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>  <Name> (791)
PRN1371

>  <Synonyms> (791)
N/A

>  <Target> (791)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (791)
free base

>  <CAS> (791)
1802929-43-6

>  <URL> (791)
http://www.selleckchem.com/products/prn1371.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (792)
842

>  <Formula> (792)
C22H25FN6O4S

>  <MolWeight> (792)
488.5351032

>  <Cat> (792)
S2002

>  <Name> (792)
CZC-25146

>  <Synonyms> (792)
N/A

>  <Target> (792)
LRRK2

>  <Form> (792)
Free Base

>  <CAS> (792)
1191911-26-8

>  <URL> (792)
http://www.selleck.cn/products/czc-25146.html

$$$$
Gilteritinib (ASP2215).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (793)
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>  <Formula> (793)
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>  <MolWeight> (793)
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>  <Cat> (793)
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>  <Name> (793)
Gilteritinib (ASP2215)

>  <Synonyms> (793)
N/A

>  <Target> (793)
FLT3,Axl 

>  <Form> (793)
free base

>  <CAS> (793)
1254053-43-4

>  <URL> (793)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

$$$$
NCT-503.cdx
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>  <Mol_ID> (794)
844

>  <Formula> (794)
C20H23F3N4S

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S8619

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NCT-503

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N/A

>  <Target> (794)
PHGDH

>  <Form> (794)
free base

>  <CAS> (794)
1916571-90-8

>  <URL> (794)
http://www.selleckchem.com/products/nct-503.html

$$$$
Azoramide.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (795)
845

>  <Formula> (795)
C15H17ClN2OS

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308.82628

>  <Cat> (795)
S8304

>  <Name> (795)
Azoramide

>  <Synonyms> (795)
N/A

>  <Target> (795)
UPR

>  <Form> (795)
free base

>  <CAS> (795)
932986-18-0

>  <URL> (795)
http://www.selleckchem.com/products/azoramide.html

$$$$
R-IMPP.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (796)
846

>  <Formula> (796)
C24H27N3O2

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389.49008

>  <Cat> (796)
S8420

>  <Name> (796)
R-IMPP

>  <Synonyms> (796)
N/A

>  <Target> (796)
PCSK9 

>  <Form> (796)
free base

>  <CAS> (796)
no cas

>  <URL> (796)
http://www.selleckchem.com/products/r-impp.html

$$$$
Chk2 Inhibitor II (BML-277).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (797)
847

>  <Formula> (797)
C20H14ClN3O2

>  <MolWeight> (797)
363.79706

>  <Cat> (797)
S8632

>  <Name> (797)
Chk2 Inhibitor II (BML-277)

>  <Synonyms> (797)
N/A

>  <Target> (797)
Chk2

>  <Form> (797)
free base

>  <CAS> (797)
516480-79-8

>  <URL> (797)
http://www.selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
LY3214996.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (798)
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ERK1,ERK2

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1951483-29-6

>  <URL> (798)
http://www.selleckchem.com/products/ly3214996.html

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AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

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free base

>  <CAS> (799)
1467057-23-3

>  <URL> (799)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
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CCG-203971

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N/A

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SRE.L

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free base

>  <CAS> (800)
1443437-74-8

>  <URL> (800)
http://www.selleckchem.com/products/ccg-203971.html

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/09132414022D

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851

>  <Formula> (801)
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>  <Cat> (801)
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>  <Name> (801)
PKM2 inhibitor(compound 3k)

>  <Synonyms> (801)
N/A

>  <Target> (801)
PKM2

>  <Form> (801)
free base

>  <CAS> (801)
94164-88-2

>  <URL> (801)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

$$$$
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csChFnd80/09132414022D

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>  <Cat> (802)
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MKC-3946

>  <Synonyms> (802)
N/A

>  <Target> (802)
IRE1¦Á endoribonuclease

>  <Form> (802)
free base

>  <CAS> (802)
1093119-54-0

>  <URL> (802)
http://www.selleckchem.com/products/mkc-3946.html

$$$$
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csChFnd80/09132414022D

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N/A

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ULK1

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dihydrochloride

>  <CAS> (803)
2088939-99-3(free base)

>  <URL> (803)
http://www.selleckchem.com/products/lyn-1604.html

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N/A

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IRAK4

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free base

>  <CAS> (804)
1801343-74-7

>  <URL> (804)
http://www.selleckchem.com/products/ca-4948.html

$$$$
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free base

>  <CAS> (805)
545-47-1

>  <URL> (805)
http://www.selleckchem.com/products/lupeol.html

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>  <MolWeight> (806)
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>  <Synonyms> (806)
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>  <Target> (806)
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>  <Form> (806)
free base

>  <CAS> (806)
432001-19-9

>  <URL> (806)
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M  END
>  <Mol_ID> (807)
858

>  <Formula> (807)
C13H10N2O

>  <MolWeight> (807)
210.2313

>  <Cat> (807)
S7639

>  <Name> (807)
3PO

>  <Synonyms> (807)
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one

>  <Target> (807)
PFKFB3

>  <Form> (807)
free base

>  <CAS> (807)
18550-98-6

>  <URL> (807)
http://www.selleckchem.com/products/3po.html

$$$$
H3B-6527.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (808)
859

>  <Formula> (808)
C29H34Cl2N8O4

>  <MolWeight> (808)
629.53746

>  <Cat> (808)
S8675

>  <Name> (808)
H3B-6527

>  <Synonyms> (808)
N/A

>  <Target> (808)
FGFR4

>  <Form> (808)
free base

>  <CAS> (808)
1702259-66-2

>  <URL> (808)
http://www.selleckchem.com/products/h3b-6527.html

$$$$
S5144 Neferine.cdx
csChFnd80/09132414022D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (809)
860

>  <Formula> (809)
C38H44N2O6

>  <MolWeight> (809)
624.76576

>  <Cat> (809)
S5144

>  <Name> (809)
Neferine

>  <Synonyms> (809)
(R)-1,2-Dimethoxyaporphine

>  <Target> (809)
Others

>  <Form> (809)
free base

>  <CAS> (809)
2292-16-2

>  <URL> (809)
http://www.selleckchem.com/products/neferine.html

$$$$
Takinib.cdx
csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (810)
861

>  <Formula> (810)
C18H18N4O2

>  <MolWeight> (810)
322.36112

>  <Cat> (810)
S8663

>  <Name> (810)
Takinib

>  <Synonyms> (810)
EDHS-206

>  <Target> (810)
TAK1,IRAK4,IRAK1

>  <Form> (810)
free base

>  <CAS> (810)
1111556-37-6

>  <URL> (810)
http://www.selleckchem.com/products/takinib.html

$$$$
S4770 Creatine phosphate disodium salt.cdx
csChFnd80/09132414022D

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    7.1740    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8113    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5989    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1740    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9616    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7492    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5367    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.8367    0.8876    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3243    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2367    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.9252    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8210    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (811)
862

>  <Formula> (811)
C4H8N3Na2O5P

>  <MolWeight> (811)
255.076721

>  <Cat> (811)
S4770

>  <Name> (811)
Creatine phosphate disodium salt

>  <Synonyms> (811)
Phosphocreatine disodium salt

>  <Target> (811)
Others

>  <Form> (811)
disodium salt

>  <CAS> (811)
922-32-7

>  <URL> (811)
http://www.selleckchem.com/products/creatine-phosphate-disodium-salt.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/09132414022D

 20 17  0  0  0  0  0  0  0  0999 V2000
    4.7611    3.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3521    3.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2131    5.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
    4.4104    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2700    0.6897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3514    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    4.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    7.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5820    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6829    0.6064    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5646    6.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 14 16  1  0  0  0  0
  5 20  1  6  0  0  0
M  END
>  <Mol_ID> (812)
864

>  <Formula> (812)
C6H6Na3O9P

>  <MolWeight> (812)
322.049511

>  <Cat> (812)
S5115

>  <Name> (812)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (812)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (812)
Others

>  <Form> (812)
sodium salt

>  <CAS> (812)
66170-10-3

>  <URL> (812)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
PF-06651600.cdx
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4290    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  1  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (813)
865

>  <Formula> (813)
C15H19N5O

>  <MolWeight> (813)
285.34426

>  <Cat> (813)
S8538

>  <Name> (813)
PF-06651600

>  <Synonyms> (813)
N/A

>  <Target> (813)
JAK3 

>  <Form> (813)
free base

>  <CAS> (813)
1792180-81-4

>  <URL> (813)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
2-D08.cdx
csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  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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 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (814)
866

>  <Formula> (814)
C15H10O5

>  <MolWeight> (814)
270.2369

>  <Cat> (814)
S8696

>  <Name> (814)
2-D08
2-D08

>  <Synonyms> (814)
2',3',4'-trihydroxy flavone

>  <Target> (814)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (814)
free base

>  <CAS> (814)
144707-18-6

>  <URL> (814)
http://selleckchem.com/products/2-d08.html

$$$$
S5045 Nomilin.cdx
csChFnd80/09132414022D

 39 44  0  0  0  0  0  0  0  0999 V2000
    8.1413    4.3026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9215    3.6125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1413    5.7122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3566    3.6125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1413    2.8930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7113    4.3269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9215    2.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5763    4.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3566    6.4072    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (815)
868

>  <Formula> (815)
C28H34O9

>  <MolWeight> (815)
514.56416

>  <Cat> (815)
S5045

>  <Name> (815)
Nomilin

>  <Synonyms> (815)
N/A

>  <Target> (815)
Others

>  <Form> (815)
free base

>  <CAS> (815)
1063-77-0

>  <URL> (815)
http://selleckchem.com/products/nomilin.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/09132414022D

 34 35  0  0  0  0  0  0  0  0999 V2000
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   12.1244    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6114    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0132    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  1  6  2  0  0  0  0
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  7  9  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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M  END
>  <Mol_ID> (816)
869

>  <Formula> (816)
C21H17ClF4N4O4

>  <MolWeight> (816)
500.8306928

>  <Cat> (816)
S5077

>  <Name> (816)
Regorafenib Monohydrate

>  <Synonyms> (816)
N/A

>  <Target> (816)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (816)
monohydrate

>  <CAS> (816)
1019206-88-2

>  <URL> (816)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
S5084 Carbazochrome.cdx
csChFnd80/09132414022D

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    7.2746    3.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0402    4.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2130    3.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    5.2705    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
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  8  1  0  0  0  0
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  7 10  1  0  0  0  0
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M  END
>  <Mol_ID> (817)
870

>  <Formula> (817)
C10H12N4O3

>  <MolWeight> (817)
236.22728

>  <Cat> (817)
S5084

>  <Name> (817)
Carbazochrome

>  <Synonyms> (817)
Adedolon, Adchnon, Adrenostazin, Cromadrenal, Adona, AC-17

>  <Target> (817)
Others

>  <Form> (817)
free base

>  <CAS> (817)
69-81-8

>  <URL> (817)
http://selleckchem.com/products/carbazochrome.html

$$$$
S5093 Rafoxanide.cdx
csChFnd80/09132414022D

 27 29  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (818)
871

>  <Formula> (818)
C19H11Cl2I2NO3

>  <MolWeight> (818)
626.01048

>  <Cat> (818)
S5093

>  <Name> (818)
Rafoxanide

>  <Synonyms> (818)
Disalan, Ranide, Flukanide, Bovanide

>  <Target> (818)
Anti-infection

>  <Form> (818)
free base

>  <CAS> (818)
22662-39-1

>  <URL> (818)
http://selleckchem.com/products/rafoxanide.html

$$$$
BGB-3111.cdx
csChFnd80/09132414022D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.7440    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7440    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9565    1.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1689    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1689    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9565    4.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5316    4.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3813    1.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5938    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8062    1.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0187    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (819)
872

>  <Formula> (819)
C24H25N5O3

>  <MolWeight> (819)
431.487

>  <Cat> (819)
S8542

>  <Name> (819)
Btk inhibitor 2

>  <Synonyms> (819)
N/A

>  <Target> (819)
BTK

>  <Form> (819)
free base

>  <CAS> (819)
1558036-85-3

>  <URL> (819)
http://selleckchem.com/products/btk-inhibitor-2.html

$$$$
kira6.cdx
csChFnd80/09132414022D

 38 42  0  0  0  0  0  0  0  0999 V2000
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    5.6378    1.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7975    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1898    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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  9 10  2  0  0  0  0
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 20 15  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 10 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 25  1  0  0  0  0
 26 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 27  1  0  0  0  0
 30 34  1  0  0  0  0
 28 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (820)
873

>  <Formula> (820)
C28H25F3N6O

>  <MolWeight> (820)
518.5329096

>  <Cat> (820)
S8658

>  <Name> (820)
kira6

>  <Synonyms> (820)
N/A

>  <Target> (820)
Others

>  <CAS> (820)
1589527-65-0

>  <URL> (820)
http://selleckchem.com/products/kira6.html

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/09132414022D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.9401    3.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
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  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
 10 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
 17 19  1  0  0  0  0
 13 20  1  0  0  0  0
  4 21  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
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (821)
874

>  <Formula> (821)
C18H13BrN2O4S2

>  <MolWeight> (821)
465.34082

>  <Cat> (821)
S8652

>  <Name> (821)
Skp2 inhibitor C1 (SKPin C1)

>  <Synonyms> (821)
N/A

>  <Target> (821)
CDK

>  <CAS> (821)
432001-69-9

>  <URL> (821)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

$$$$
SNS-314.cdx
csChFnd80/09132414022D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.1148    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    2.4623    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5552    5.2179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1226    3.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3026    2.8146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7446    4.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8162    6.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9771    5.6641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  6 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  2  0  0  0  0
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 15 18  1  0  0  0  0
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M  END
>  <Mol_ID> (822)
875

>  <Formula> (822)
C18H15ClN6OS2

>  <MolWeight> (822)
430.9343

>  <Cat> (822)
S8699

>  <Name> (822)
SNS-314 Mesylate

>  <Synonyms> (822)
N/A

>  <Target> (822)
Aurora Kinase

>  <CAS> (822)
1057249-41-8

>  <URL> (822)
http://selleckchem.com/products/sns-314.html

$$$$
BMS-935177.cdx
csChFnd80/09132414022D

 38 43  0  0  0  0  0  0  0  0999 V2000
    6.3314    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3314    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5438    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9999    8.8326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9999    6.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    7.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    6.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    5.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8229    6.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3923    7.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5438   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5438    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7562    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9687    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1811    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3935    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1811    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6060    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8184    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6060    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 11 14  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
  6 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
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 25 20  1  0  0  0  0
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 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
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 36 31  1  0  0  0  0
 32 37  2  0  0  0  0
 18 38  2  0  0  0  0
M  END
>  <Mol_ID> (823)
876

>  <Formula> (823)
C31H26N4O3

>  <MolWeight> (823)
502.56314

>  <Cat> (823)
S8348

>  <Name> (823)
BMS-935177

>  <Synonyms> (823)
N/A

>  <Target> (823)
BTK,Trk receptor,c-RET

>  <Form> (823)
free base

>  <CAS> (823)
1231889-53-4

>  <URL> (823)
http://selleckchem.com/products/bms-935177.html

$$$$
KPT-9274.cdx
csChFnd80/09132414022D

 45 50  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.4539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    3.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1643913-93-2

>  <URL> (824)
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$$$$
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csChFnd80/09132414022D

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N/A

>  <Target> (825)
Bcr-Abl

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free base

>  <CAS> (825)
1492952-76-7

>  <URL> (825)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
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N/A

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PI3K

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free base

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1639417-53-0

>  <URL> (826)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
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STAT

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free base

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919486-40-1

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http://selleckchem.com/products/as1517499.html

$$$$
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   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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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  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  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
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  7  1  0  0  0  0
  9 21  2  0  0  0  0
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 25 26  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <Mol_ID> (828)
881

>  <Formula> (828)
C28H29F3N4O4

>  <MolWeight> (828)
542.5494696

>  <Cat> (828)
S8690

>  <Name> (828)
RAF709

>  <Synonyms> (828)
N/A

>  <Target> (828)
Raf

>  <Form> (828)
free base

>  <CAS> (828)
1628838-42-5

>  <URL> (828)
http://selleckchem.com/products/raf709.html

$$$$
S5060 Metadoxine.cdx
csChFnd80/09132414022D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.6360    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  8  1  1  0  0  0  0
  5  2  2  0  0  0  0
  7  2  1  0  0  0  0
  6  3  2  0  0  0  0
  3  5  1  0  0  0  0
  9  4  1  0  0  0  0
  6  4  1  0  0  0  0
 12  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 18 14  2  0  0  0  0
 20 14  1  0  0  0  0
 15 16  1  6  0  0  0
 19 15  1  0  0  0  0
 17 16  2  0  0  0  0
 21 16  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (829)
883

>  <Formula> (829)
C13H18N2O6

>  <MolWeight> (829)
298.29182

>  <Cat> (829)
S5060

>  <Name> (829)
 Metadoxine

>  <Synonyms> (829)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (829)
Others

>  <Form> (829)
salt

>  <CAS> (829)
74536-44-0

>  <URL> (829)
http://selleckchem.com/products/metadoxine.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/09132414022D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  1  0  0  0
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (830)
884

>  <Formula> (830)
C10H16N5O8P

>  <MolWeight> (830)
365.236501

>  <Cat> (830)
S5284

>  <Name> (830)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (830)
5'-Adenylic acid, 5'-AMP

>  <Target> (830)
AMPK

>  <Form> (830)
hydrate 

>  <CAS> (830)
18422-05-4

>  <URL> (830)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5321 Y15.cdx
csChFnd80/09132414022D

 14 10  0  0  0  0  0  0  0  0999 V2000
    7.1296    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1296    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9158    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200    2.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9158    2.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7510    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7510    2.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.8001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   11.8001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   10.4001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (831)
885

>  <Formula> (831)
C6H14Cl4N4

>  <MolWeight> (831)
284.01416

>  <Cat> (831)
S5321

>  <Name> (831)
Y15

>  <Synonyms> (831)
1,2,4,5-Benzenetetraamine tetrahydrochloride

>  <Target> (831)
FAK

>  <Form> (831)
tetrahydrochloride 

>  <CAS> (831)
4506-66-5

>  <URL> (831)
http://selleckchem.com/products/y15.html

$$$$
S5313 SC66.cdx
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  8  1  0  0  0  0
 13 14  2  0  0  0  0
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 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (832)
887

>  <Formula> (832)
C18H16N2O

>  <MolWeight> (832)
276.33244

>  <Cat> (832)
S5313

>  <Name> (832)
SC66

>  <Synonyms> (832)
N/A

>  <Target> (832)
Akt

>  <Form> (832)
free base

>  <CAS> (832)
871361-88-5

>  <URL> (832)
http://selleckchem.com/products/sc66.html

$$$$
S5316 NU2058.cdx
csChFnd80/09132414022D

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    4.8434    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1918    1.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    4.2006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4216    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (833)
888

>  <Formula> (833)
C12H17N5O

>  <MolWeight> (833)
247.29628

>  <Cat> (833)
S5316

>  <Name> (833)
NU2058

>  <Synonyms> (833)
O(6)-Cyclohexylmethylguanine

>  <Target> (833)
CDK

>  <Form> (833)
free base

>  <CAS> (833)
161058-83-9

>  <URL> (833)
http://selleckchem.com/products/nu2058.html

$$$$
AZD1390.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (834)
889

>  <Formula> (834)
C27H32FN5O2

>  <MolWeight> (834)
477.5736832

>  <Cat> (834)
S8680

>  <Name> (834)
AZD1390

>  <Synonyms> (834)
N/A

>  <Target> (834)
ATM/ATR

>  <Form> (834)
free base

>  <CAS> (834)
2089288-03-7

>  <URL> (834)
http://selleckchem.com/products/azd1390.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (835)
890

>  <Formula> (835)
C22H25Cl2FN4O3

>  <MolWeight> (835)
483.3633032

>  <Cat> (835)
S5098

>  <Name> (835)
Gefitinib hydrochloride

>  <Synonyms> (835)
ZD1839 hydrochloride

>  <Target> (835)
EGFR

>  <Form> (835)
hydrochloride 

>  <CAS> (835)
184475-55-6

>  <URL> (835)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (836)
891

>  <Formula> (836)
C23H26ClN

>  <MolWeight> (836)
351.91224

>  <Cat> (836)
S5279

>  <Name> (836)
Fendiline hydrochloride

>  <Synonyms> (836)
N/A

>  <Target> (836)
Calcium Channel,Ras

>  <Form> (836)
hydrochloride 

>  <CAS> (836)
13636-18-5

>  <URL> (836)
http://selleckchem.com/products/fendiline-hydrochloride.html

$$$$
GSK'963.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (837)
892

>  <Formula> (837)
C14H18N2O

>  <MolWeight> (837)
230.30552

>  <Cat> (837)
S8642

>  <Name> (837)
GSK'963

>  <Synonyms> (837)
N/A

>  <Target> (837)
NF-¦ÊB,TNF-alpha

>  <Form> (837)
free base

>  <CAS> (837)
2049868-46-2

>  <URL> (837)
http://selleckchem.com/products/gsk963.html

$$$$
bpV (HOpic).cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (838)
893

>  <Formula> (838)
C6H4K2NO8V

>  <MolWeight> (838)
347.23596

>  <Cat> (838)
S8651

>  <Name> (838)
bpV (HOpic)

>  <Synonyms> (838)
Bisperoxovanadium(HOpic)

>  <Target> (838)
PTEN

>  <Form> (838)
potassium 

>  <CAS> (838)
722494-26-0

>  <URL> (838)
http://selleckchem.com/products/bpv-hopic.html

$$$$
Anlotinib (AL3818).cdx
csChFnd80/09132414022D

 32 34  0  0  0  0  0  0  0  0999 V2000
   11.4375    3.3124    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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 20 21  2  0  0  0  0
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 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 17 26  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 27  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (839)
894

>  <Formula> (839)
C23H24Cl2FN3O3

>  <MolWeight> (839)
480.3593632

>  <Cat> (839)
S8726

>  <Name> (839)
Anlotinib (AL3818) dihydrochloride

>  <Synonyms> (839)
N/A

>  <Target> (839)
VEGFR

>  <Form> (839)
dihydrochloride 

>  <CAS> (839)
1360460-82-7

>  <URL> (839)
http://selleckchem.com/products/anlotinib-al3818.html

$$$$
DCC-2618.cdx
csChFnd80/09132414022D

 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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   14.5200    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5200    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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 35  7  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (840)
895

>  <Formula> (840)
C26H21F2N5O3

>  <MolWeight> (840)
489.4734464

>  <Cat> (840)
S8721

>  <Name> (840)
DCC-2618

>  <Synonyms> (840)
N/A

>  <Target> (840)
c-Kit

>  <CAS> (840)
 1225278-16-9

>  <URL> (840)
http://selleckchem.com/products/dcc-2618.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/09132414022D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 C   0  0  2  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> (841)
897

>  <Formula> (841)
C21H28O2

>  <MolWeight> (841)
312.44582

>  <Cat> (841)
S3792

>  <Name> (841)
Guggulsterone E&Z

>  <Synonyms> (841)
N/A

>  <Target> (841)
FXR

>  <Form> (841)
free base

>  <CAS> (841)
95975-55-6

>  <URL> (841)
http://selleckchem.com/products/guggulsterone.html

$$$$
S4955 Acetosyringone.cdx
csChFnd80/09132414022D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4434    2.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (842)
898

>  <Formula> (842)
C10H12O4

>  <MolWeight> (842)
196.19988

>  <Cat> (842)
S4955

>  <Name> (842)
Acetosyringone

>  <Synonyms> (842)
Acetosyringenin

>  <Target> (842)
Others

>  <Form> (842)
free base

>  <CAS> (842)
2478-38-8

>  <URL> (842)
http://selleckchem.com/products/acetosyringone.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/09132414022D

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.9777    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.1777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.3777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    5.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    2.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.6777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.0777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784    4.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    5.1486    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    6.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    6.0700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7847    7.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    7.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1470    8.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7947    8.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5202    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8517    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8921    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6010    2.3062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2236    0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7938    3.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    3.4356    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    4.8356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5938    3.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    2.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  8  1  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 21 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 33 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
M  END
>  <Mol_ID> (843)
899

>  <Formula> (843)
C24H24F3N5O5S3

>  <MolWeight> (843)
615.6680696

>  <Cat> (843)
S5069

>  <Name> (843)
Dabrafenib Mesylate

>  <Synonyms> (843)
GSK2118436 Mesylate

>  <Target> (843)
Raf

>  <Form> (843)
mesylate

>  <CAS> (843)
1195768-06-9

>  <URL> (843)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/09132414022D

 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
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    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (844)
900

>  <Formula> (844)
C33H39N5O7S

>  <MolWeight> (844)
649.75706

>  <Cat> (844)
S5234

>  <Name> (844)
Nintedanib Ethanesulfonate Salt

>  <Synonyms> (844)
Intedanib, BIBF 1120

>  <Target> (844)
VEGFR,FGFR,PDGFR

>  <Form> (844)
ethanesulfonate 

>  <CAS> (844)
656247-18-6

>  <URL> (844)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/09132414022D

 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
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   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> (845)
901

>  <Formula> (845)
C29H31FN4O7

>  <MolWeight> (845)
566.5774432

>  <Cat> (845)
S5242

>  <Name> (845)
Cediranib Maleate

>  <Synonyms> (845)
AZD-2171 maleate

>  <Target> (845)
VEGFR

>  <Form> (845)
maleate

>  <CAS> (845)
 857036-77-2

>  <URL> (845)
http://selleckchem.com/products/cediranib-maleate.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/09132414022D

 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> (846)
902

>  <Formula> (846)
C22H42O2

>  <MolWeight> (846)
338.56768

>  <Cat> (846)
S5383

>  <Name> (846)
Erucic acid

>  <Synonyms> (846)
cis-13-docosenoic acid

>  <Target> (846)
Others

>  <Form> (846)
free base

>  <CAS> (846)
112-86-7

>  <URL> (846)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/09132414022D

  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> (847)
903

>  <Formula> (847)
C3H3BrO3

>  <MolWeight> (847)
166.95812

>  <Cat> (847)
S5426

>  <Name> (847)
Bromopyruvic acid

>  <Synonyms> (847)
3-Bromopyruvic acid, 3-Bromopyruvate

>  <Target> (847)
Others

>  <Form> (847)
free base

>  <CAS> (847)
1113-59-3

>  <URL> (847)
http://selleckchem.com/products/bromopyruvic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/09132414022D

 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> (848)
904

>  <Formula> (848)
C8H6BrN

>  <MolWeight> (848)
196.04394

>  <Cat> (848)
S5439

>  <Name> (848)
5-Bromoindole

>  <Synonyms> (848)
N/A

>  <Target> (848)
GSK-3

>  <Form> (848)
free base

>  <CAS> (848)
10075-50-0

>  <URL> (848)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/09132414022D

 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> (849)
905

>  <Formula> (849)
C11H12O4

>  <MolWeight> (849)
208.21058

>  <Cat> (849)
S5451

>  <Name> (849)
Ferulic acid methyl ester

>  <Synonyms> (849)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (849)
Immunology & Inflammation related

>  <Form> (849)
free base

>  <CAS> (849)
149567

>  <URL> (849)
http://selleckchem.com/products/ferulic-acid-methylester.html

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/09132414022D

 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> (850)
906

>  <Formula> (850)
C20H14ClNO4

>  <MolWeight> (850)
367.78246

>  <Cat> (850)
S5452

>  <Name> (850)
Sanguinarine chloride

>  <Synonyms> (850)
N/A

>  <Target> (850)
phosphatase

>  <Form> (850)
chloride 

>  <CAS> (850)
5578-73-4

>  <URL> (850)
http://selleckchem.com/products/sanguinarine-chloride.html

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/09132414022D

 60 67  0  0  0  0  0  0  0  0999 V2000
    1.2167    4.1933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2167    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4269    2.0966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    4.9015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8429    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2668    2.0888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4745    2.7842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4801    4.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2673    4.8862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0491    4.1881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6808    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1046    2.0888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1052    4.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8871    4.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3178    4.1841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3070    2.7913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5011    2.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7137    2.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5227    4.8751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7241    4.1635    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7523    6.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5316    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9537    6.2395    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9338    4.8373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1318    4.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3568    4.8031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1711    6.9274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3735    6.1992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5985    6.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6319    8.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4295    9.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1937    8.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    4.8891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    6.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    2.0877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    0.6942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2651    0.6864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4626    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2931    1.3954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5115    3.4778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9199    3.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5613    4.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2705    6.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3074    5.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7156    5.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7768    5.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7118    5.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1677    7.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2160    9.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6314    9.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1031    0.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 36  1  0  0  0  0
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  2  3  1  0  0  0  0
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 30 48  1  6  0  0  0
 22 24  1  0  0  0  0
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 23 24  1  0  0  0  0
 16 50  1  1  0  0  0
  5  6  1  0  0  0  0
 19 51  1  1  0  0  0
  8 13  1  0  0  0  0
 24 52  1  1  0  0  0
  9 10  1  0  0  0  0
 27 53  1  1  0  0  0
 10 11  1  0  0  0  0
 32 54  1  1  0  0  0
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 31 55  1  1  0  0  0
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 27 25  1  0  0  0  0
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 11 12  1  0  0  0  0
 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (851)
907

>  <Formula> (851)
C42H68O13

>  <MolWeight> (851)
780.98152

>  <Cat> (851)
S5454

>  <Name> (851)
Saikosaponin D

>  <Synonyms> (851)
N/A

>  <Target> (851)
ATPase

>  <Form> (851)
free base

>  <CAS> (851)
20874-52-6

>  <URL> (851)
http://selleckchem.com/products/saikosaponin-d.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/09132414022D

 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
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   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
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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
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  3  7  1  0  0  0  0
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  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
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  7 10  2  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
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M  END
>  <Mol_ID> (852)
908

>  <Formula> (852)
C20H20O4

>  <MolWeight> (852)
324.3704

>  <Cat> (852)
S5456

>  <Name> (852)
Isobavachalcone

>  <Synonyms> (852)
Corylifolinin

>  <Target> (852)
Anti-infection

>  <Form> (852)
free base

>  <CAS> (852)
20784-50-3

>  <URL> (852)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/09132414022D

 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
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    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   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
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  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
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 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
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 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> (853)
909

>  <Formula> (853)
C22H26O11

>  <MolWeight> (853)
466.43524

>  <Cat> (853)
S5457

>  <Name> (853)
Curculigoside

>  <Synonyms> (853)
Curculigoside A

>  <Target> (853)
Immunology & Inflammation related

>  <Form> (853)
free base

>  <CAS> (853)
85643-19-2

>  <URL> (853)
http://selleckchem.com/products/curculigoside.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/09132414022D

 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
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    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
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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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    6.0592    4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    9.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002   10.5080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9127    4.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3387    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5510    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7635    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9759    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    6.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    7.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1886    8.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9782    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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
  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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 14 19  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 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
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 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> (854)
910

>  <Formula> (854)
C29H36O15

>  <MolWeight> (854)
624.58714

>  <Cat> (854)
S5458

>  <Name> (854)
Verbascoside

>  <Synonyms> (854)
Acteoside, Kusaginin

>  <Target> (854)
Immunology & Inflammation related

>  <Form> (854)
free base

>  <CAS> (854)
61276-17-3

>  <URL> (854)
http://selleckchem.com/products/verbascoside.html

$$$$
S5464 Psoralidin.cdx
csChFnd80/09132414022D

 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
    3.6373    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7998    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
    1.2124    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> (855)
911

>  <Formula> (855)
C20H16O5

>  <MolWeight> (855)
336.33804

>  <Cat> (855)
S5464

>  <Name> (855)
Psoralidin

>  <Synonyms> (855)
N/A

>  <Target> (855)
Estrogen/progestogen Receptor

>  <Form> (855)
free base

>  <CAS> (855)
18642-23-4

>  <URL> (855)
http://selleckchem.com/products/psoralidin.html

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/09132414022D

 42 46  0  0  0  0  0  0  0  0999 V2000
    1.2084    7.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2073    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    5.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492    7.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    8.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    5.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0710    6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0711    7.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8544    8.4091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    4.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    8.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4960    7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7140    8.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7129    9.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4961   10.5164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2784    9.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9213   10.5191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    4.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (856)
912

>  <Formula> (856)
C27H30O15

>  <MolWeight> (856)
594.5181

>  <Cat> (856)
S5468

>  <Name> (856)
Kaempferol-3-O-glucorhamnoside

>  <Synonyms> (856)
Kaempferol 3-neohesperidoside

>  <Target> (856)
Others

>  <Form> (856)
salt

>  <CAS> (856)
40437-72-7

>  <URL> (856)
http://selleckchem.com/products/kaempferol-3-o-glucorhamnoside.html

$$$$
S5516 Ellagic Acid, Dihydrate.cdx
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6391    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    4.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    3.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    5.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    2.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671    6.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0030    4.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    5.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    3.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4900    6.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7064    0.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  2  0  0  0  0
  9 11  1  0  0  0  0
 10 15  2  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (857)
913

>  <Formula> (857)
C14H8O9

>  <MolWeight> (857)
320.20792

>  <Cat> (857)
S5516

>  <Name> (857)
Ellagic Acid hydrate

>  <Synonyms> (857)
N/A

>  <Target> (857)
Casein Kinase

>  <Form> (857)
monohydrate 

>  <CAS> (857)
 314041-08-2

>  <URL> (857)
http://selleckchem.com/products/ellagic-acid-hydrate.html

$$$$
S5529 Galangin.cdx
csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6432    4.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    2.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    4.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    2.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    2.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    4.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    6.2592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    4.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    6.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0533    2.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2590    4.8593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2658    2.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832    0.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4718    2.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6858    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7180    0.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (858)
914

>  <Formula> (858)
C15H10O5

>  <MolWeight> (858)
270.2369

>  <Cat> (858)
S5529

>  <Name> (858)
Galangin

>  <Synonyms> (858)
3,5,7-trihydroxyflavone; Norizalpinin

>  <Target> (858)
P450 (e.g. CYP17)

>  <Form> (858)
free base

>  <CAS> (858)
548-83-4

>  <URL> (858)
http://selleckchem.com/products/galangin.html

$$$$
S5545 DL-Serine.cdx
csChFnd80/09132414022D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (859)
915

>  <Formula> (859)
C3H7NO3

>  <MolWeight> (859)
105.09258

>  <Cat> (859)
S5545

>  <Name> (859)
DL-Serine

>  <Synonyms> (859)
N/A

>  <Target> (859)
PKM

>  <CAS> (859)
302-84-1

>  <URL> (859)
http://selleckchem.com/products/dl-serine.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/09132414022D

 72 80  0  0  0  0  0  0  0  0999 V2000
   27.7632   15.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.7632   16.8217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.5586   14.7207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.0955   14.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9166   14.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0955   17.2577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   17.5267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.9166   18.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3415   15.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   13.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9155   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5309   18.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3288   16.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5717   18.9228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   14.7207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.3415   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (860)
916

>  <Formula> (860)
C49H76O20

>  <MolWeight> (860)
985.11574

>  <Cat> (860)
S5554

>  <Name> (860)
Lanatoside C

>  <Synonyms> (860)
N/A

>  <Target> (860)
ATPase

>  <Form> (860)
free base

>  <CAS> (860)
17575-22-3

>  <URL> (860)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5584 Citronellol.cdx
csChFnd80/09132414022D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (861)
917

>  <Formula> (861)
C10H20O

>  <MolWeight> (861)
156.2652

>  <Cat> (861)
S5584

>  <Name> (861)
Citronellol

>  <Synonyms> (861)
dihydrogeraniol, (¡À)-¦Â-Citronellol

>  <Target> (861)
Others

>  <Form> (861)
free base

>  <CAS> (861)
106-22-9

>  <URL> (861)
http://selleckchem.com/products/citronellol.html

$$$$
S5588 Creatine.cdx
csChFnd80/09132414022D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (862)
918

>  <Formula> (862)
C4H9N3O2

>  <MolWeight> (862)
131.13316

>  <Cat> (862)
S5588

>  <Name> (862)
Creatine

>  <Synonyms> (862)
Methylguanidoacetic acid

>  <Target> (862)
Others

>  <Form> (862)
free base

>  <CAS> (862)
57-00-1

>  <URL> (862)
http://selleckchem.com/products/creatine.html

$$$$
UM-164.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (863)
919

>  <Formula> (863)
C30H31F3N8O3S

>  <MolWeight> (863)
640.6791496

>  <Cat> (863)
S8706

>  <Name> (863)
UM-164

>  <Synonyms> (863)
N/A

>  <Target> (863)
Src,p38 MAPK

>  <Form> (863)
free base

>  <CAS> (863)
903564-48-7

>  <URL> (863)
http://selleckchem.com/products/um-164.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/09132414022D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (864)
920

>  <Formula> (864)
C28H23ClF3N7O

>  <MolWeight> (864)
565.9767296

>  <Cat> (864)
S5205

>  <Name> (864)
Nilotinib hydrochloride

>  <Synonyms> (864)
AMN-107 HCl

>  <Target> (864)
Bcr-Abl

>  <Form> (864)
hydrochloride 

>  <CAS> (864)
923288-95-3

>  <URL> (864)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/09132414022D

 35 37  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> (865)
921

>  <Formula> (865)
C22H23ClN4O7S

>  <MolWeight> (865)
522.95862

>  <Cat> (865)
S5240

>  <Name> (865)
lenvatinib Mesylate

>  <Synonyms> (865)
N/A

>  <Target> (865)
VEGFR

>  <Form> (865)
Mesylate

>  <CAS> (865)
 857890-39-2

>  <URL> (865)
http://selleckchem.com/products/lenvatinib-mesylate.html

$$$$
S5265 TBB.cdx
csChFnd80/09132414022D

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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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  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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 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
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M  END
>  <Mol_ID> (866)
922

>  <Formula> (866)
C6HBr4N3

>  <MolWeight> (866)
434.70824

>  <Cat> (866)
S5265

>  <Name> (866)
TBB

>  <Synonyms> (866)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (866)
Casein Kinase

>  <CAS> (866)
17374-26-4

>  <URL> (866)
http://selleckchem.com/products/tbb.html

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/09132414022D

 34 36  0  0  0  0  0  0  0  0999 V2000
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 19 20  1  0  0  0  0
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 22 27  2  0  0  0  0
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 18 21  2  0  0  0  0
  5 18  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (867)
923

>  <Formula> (867)
C22H28FN4O6P

>  <MolWeight> (867)
494.4530842

>  <Cat> (867)
S5272

>  <Name> (867)
Toceranib phosphate

>  <Synonyms> (867)
SU11654

>  <Target> (867)
PDGFR¦Â

>  <Form> (867)
phosphate 

>  <CAS> (867)
874819-74-6

>  <URL> (867)
http://selleckchem.com/products/.html

$$$$
ARQ 531.cdx
csChFnd80/09132414022D

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    9.4290    7.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    8.7555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.8228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1228    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6373    2.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    5.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019    4.1183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    4.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8407    3.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2102    3.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1469    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7143    5.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3449    5.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    7.2395    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5163    3.9944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9490    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0122    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4448    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8142    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7510    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3184    2.3719    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
  3 10  1  0  0  0  0
 11 10  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 16  1  0  0  0  0
 16 11  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 14 20  1  1  0  0  0
 20 21  1  0  0  0  0
 19 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 19  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  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
M  END
>  <Mol_ID> (868)
924

>  <Formula> (868)
C25H23ClN4O4

>  <MolWeight> (868)
478.92752

>  <Cat> (868)
S8711

>  <Name> (868)
ARQ 531

>  <Synonyms> (868)
N/A

>  <Target> (868)
BTK

>  <Form> (868)
free base

>  <CAS> (868)
2095393-15-8

>  <URL> (868)
http://selleckchem.com/products/.html

$$$$
S5542 7-Nitroindazole.cdx
csChFnd80/09132414022D

 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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.3674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5792    3.5000    0.0000 N   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
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  5  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  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (869)
926

>  <Formula> (869)
C7H5N3O2

>  <MolWeight> (869)
163.1335

>  <Cat> (869)
S5542

>  <Name> (869)
7-Nitroindazole

>  <Synonyms> (869)
N/A

>  <Target> (869)
neuronal?nitric oxide synthase

>  <Form> (869)
free base

>  <CAS> (869)
2942-42-9

>  <URL> (869)
http://selleckchem.com/products/.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/09132414022D

 41 45  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    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
   12.1244    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4033    4.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6401    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2707    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2095    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3866    8.9950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9561   10.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9943    8.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7324    5.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3019    3.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6942    3.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5171    4.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9477    6.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5553    6.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
  8 12  1  0  0  0  0
 12 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37  8  1  0  0  0  0
  7 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
M  END
>  <Mol_ID> (870)
927

>  <Formula> (870)
C30H34N8O3

>  <MolWeight> (870)
554.64276

>  <Cat> (870)
S8724

>  <Name> (870)
Lazertinib (YH25448,GNS-1480)

>  <Form> (870)
free base

>  <CAS> (870)
1903008-80-9

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/09132414022D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6481    3.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    4.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6482    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8605    4.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0729    3.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8605    5.5826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0077    1.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4888    3.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  9  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (871)
928

>  <Formula> (871)
C9H10O5

>  <MolWeight> (871)
198.1727

>  <Cat> (871)
S5550

>  <Name> (871)
Ethyl gallate

>  <Synonyms> (871)
N/A

>  <Target> (871)
NF-¦ÊB

>  <CAS> (871)
831-61-8

>  <URL> (871)
http://selleckchem.com/products/.html

$$$$
S9361 Coumarin-3-carboxylic acid.cdx
csChFnd80/09132414022D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4354    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4302    0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    2.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    0.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    0.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0046    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595    2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0519    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    2.0808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595    4.1796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (872)
929

>  <Formula> (872)
C10H6O4

>  <MolWeight> (872)
190.15224

>  <Cat> (872)
S9361

>  <Name> (872)
Coumarin-3-carboxylic acid

>  <Form> (872)
free base

>  <CAS> (872)
531-81-7

$$$$
S9366 5'-Adenylic acid.cdx
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.8569    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5248    2.4646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0904    1.1338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9118    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6905    1.1359    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8660    0.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2597    2.4679    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3936    3.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9288    2.9024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6636    2.9057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0982    4.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018    6.6614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5018    6.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    5.4459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4981    4.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2488    2.3174    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.8885    3.6702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8960    1.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6017    2.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6092    0.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 12 18  2  0  0  0  0
  9 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
>  <Mol_ID> (873)
930

>  <Formula> (873)
C10H14N5O7P

>  <MolWeight> (873)
347.221221

>  <Cat> (873)
S9366

>  <Name> (873)
5'-Adenylic acid

>  <Form> (873)
free base

>  <CAS> (873)
61-19-8

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/09132414022D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (874)
931

>  <Formula> (874)
C8H8O3

>  <MolWeight> (874)
152.14732

>  <Cat> (874)
S9374

>  <Name> (874)
2',5'-Dihydroxyacetophenone

>  <CAS> (874)
490-78-8

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/09132414022D

 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> (875)
932

>  <Formula> (875)
C15H24N2O2

>  <MolWeight> (875)
264.36326

>  <Cat> (875)
S9384

>  <Name> (875)
Sophocarpine Monohydrate

>  <Form> (875)
free base

>  <CAS> (875)
 145572-44-7

$$$$
S9393 (4S)-4-Hydroxy-L-isoleucine.cdx
csChFnd80/09132414022D

 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> (876)
933

>  <Formula> (876)
C6H13NO3

>  <MolWeight> (876)
147.17232

>  <Cat> (876)
S9393

>  <Name> (876)
(4S)-4-Hydroxy-L-isoleucine

>  <Form> (876)
free base

>  <CAS> (876)
55399-93-4

$$$$
S9406 Sauchinone.cdx
csChFnd80/09132414022D

 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> (877)
934

>  <Formula> (877)
C20H20O6

>  <MolWeight> (877)
356.3692

>  <Cat> (877)
S9406

>  <Name> (877)
Sauchinone

>  <CAS> (877)
177931-17-8

$$$$
S9414 Cyasterone.cdx
csChFnd80/09132414022D

 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> (878)
935

>  <Formula> (878)
C29H44O8

>  <MolWeight> (878)
520.65486

>  <Cat> (878)
S9414

>  <Name> (878)
Cyasterone

>  <Form> (878)
free base

>  <CAS> (878)
17086-76-9

$$$$
S9417 Homoplantaginin.cdx
csChFnd80/09132414022D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.4869    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    2.1000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 10  4  2  0  0  0  0
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 12 13  1  0  0  0  0
  9 12  1  0  0  0  0
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 17 20  1  0  0  0  0
  1 14  1  0  0  0  0
 10 21  1  0  0  0  0
 23 24  1  0  0  0  0
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 26 27  1  1  0  0  0
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 28 29  1  6  0  0  0
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 32 33  1  0  0  0  0
 23 31  1  0  0  0  0
 23 22  1  1  0  0  0
  8 22  1  0  0  0  0
M  END
>  <Mol_ID> (879)
936

>  <Formula> (879)
C22H22O11

>  <MolWeight> (879)
462.40348

>  <Cat> (879)
S9417

>  <Name> (879)
Homoplantaginin

>  <Form> (879)
free base

>  <CAS> (879)
17680-84-1

$$$$
S9430 Tomatidine.cdx
csChFnd80/09132414022D

 37 41  0  0  0  0  0  0  0  0999 V2000
   10.7826    6.6746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5520    6.6746    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7711    5.5680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9994    5.9737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
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 24 36  1  6  0  0  0
 25 28  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
M  END
>  <Mol_ID> (880)
937

>  <Formula> (880)
C27H46ClNO2

>  <MolWeight> (880)
452.11264

>  <Cat> (880)
S9430

>  <Name> (880)
Tomatidine

>  <Form> (880)
free base

>  <CAS> (880)
6192-62-7

$$$$
S9431 Dehydrocorydalin.cdx
csChFnd80/09132414022D

 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
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   10.9020    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6813    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9020    6.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (881)
938

>  <Formula> (881)
C22H24NO4+

>  <MolWeight> (881)
366.43026

>  <Cat> (881)
S9431

>  <Name> (881)
Dehydrocorydalin

>  <Form> (881)
free base

>  <CAS> (881)
30045-16-0

$$$$

csChFnd80/09132414022D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (882)
939

>  <Formula> (882)
C6H6Br6

>  <MolWeight> (882)
557.53584

>  <Cat> (882)
S5902

>  <Name> (882)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (882)
NSC7908

>  <Target> (882)
JAK

>  <Form> (882)
Free Base

>  <CAS> (882)
1837-91-8

>  <URL> (882)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/09132414022D

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 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> (883)
940

>  <Formula> (883)
C16H15N3O3

>  <MolWeight> (883)
297.3086

>  <Cat> (883)
S5903

>  <Name> (883)
JANEX-1

>  <Synonyms> (883)
WHI-P131

>  <Target> (883)
JAK

>  <Form> (883)
Free Base

>  <CAS> (883)
202475-60-3

>  <URL> (883)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    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
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   10.9361    6.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
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 10 11  1  0  0  0  0
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 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> (884)
941

>  <Formula> (884)
C16H13Br2N3O3

>  <MolWeight> (884)
455.10072

>  <Cat> (884)
S5904

>  <Name> (884)
WHI-P97

>  <Synonyms> (884)
N/A

>  <Target> (884)
JAK

>  <Form> (884)
Free Base

>  <CAS> (884)
211555-05-4

>  <URL> (884)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/09132414022D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3125    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    8.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    5.3407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (885)
942

>  <Formula> (885)
C22H23N5O2

>  <MolWeight> (885)
389.45032

>  <Cat> (885)
S5917

>  <Name> (885)
Solcitinib

>  <Synonyms> (885)
GLPG0778, GSK2586184

>  <Target> (885)
JAK

>  <Form> (885)
Free Base

>  <CAS> (885)
1206163-45-2

>  <URL> (885)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/09132414022D

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.1249    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2752    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4927    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9176    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1922    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  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
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 11 14  1  0  0  0  0
  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> (886)
943

>  <Formula> (886)
C19H33NO2

>  <MolWeight> (886)
307.47082

>  <Cat> (886)
S5950

>  <Name> (886)
Fingolimod

>  <Form> (886)
Free Base

>  <CAS> (886)
162359-55-9

$$$$

csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.7472    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9596    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  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
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 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 17 24  1  0  0  0  0
 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (887)
944

>  <Formula> (887)
C17H16N4O2S2

>  <MolWeight> (887)
372.46454

>  <Cat> (887)
S7302

>  <Name> (887)
TEPP-46 (ML265, CID-44246499, NCGC00186528)

>  <Synonyms> (887)
N/A

>  <Target> (887)
PKM

>  <Form> (887)
Free Base

>  <CAS> (887)
1221186-53-3

>  <URL> (887)
http://www.selleckchem.com/products/tepp-46.html

$$$$

csChFnd80/09132414022D

 38 43  0  0  0  0  0  0  0  0999 V2000
    2.6082    5.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0332    3.9699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3978    4.2599    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (888)
945

>  <Formula> (888)
C25H21F3N6O3S

>  <MolWeight> (888)
542.5328496

>  <Cat> (888)
S7965

>  <Name> (888)
PLX8394

>  <Synonyms> (888)
N/A

>  <Target> (888)
Raf

>  <Form> (888)
Free Base

>  <CAS> (888)
1393466-87-9

>  <URL> (888)
http://www.selleckchem.com/products/plx8394.html

$$$$

csChFnd80/09132414022D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (889)
946

>  <Formula> (889)
C16H20BrN5O

>  <MolWeight> (889)
378.2669

>  <Cat> (889)
S8526

>  <Name> (889)
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>  <Synonyms> (889)
N/A

>  <Target> (889)
Chk

>  <Form> (889)
Free Base

>  <CAS> (889)
1196541-47-5

>  <URL> (889)
http://www.selleckchem.com/products/gdc-0575.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (890)
947

>  <Formula> (890)
C24H28N4O3

>  <MolWeight> (890)
420.50412

>  <Cat> (890)
S8556

>  <Name> (890)
AZ31

>  <Synonyms> (890)
N/A

>  <Target> (890)
ATM/ATR

>  <Form> (890)
Free Base

>  <CAS> (890)
2088113-98-6

>  <URL> (890)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/09132414022D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (891)
948

>  <Formula> (891)
C23H14ClF3N6O

>  <MolWeight> (891)
482.8450696

>  <Cat> (891)
S8560

>  <Name> (891)
Seletalisib (UCB-5857)

>  <Synonyms> (891)
N/A

>  <Target> (891)
PI3K

>  <Form> (891)
Free Base

>  <CAS> (891)
1362850-20-1

>  <URL> (891)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/09132414022D

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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 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> (892)
949

>  <Formula> (892)
C29H29FN4O

>  <MolWeight> (892)
468.5651632

>  <Cat> (892)
S8609

>  <Name> (892)
Derazantinib(ARQ-087)

>  <Synonyms> (892)
N/A

>  <Target> (892)
FGFR

>  <Form> (892)
Free Base

>  <CAS> (892)
1234356-69-4

>  <URL> (892)
http://www.selleckchem.com/products/derazantinib.html

$$$$

csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    5.5552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5988    4.6184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8112    5.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5201    6.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0902    4.7490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4569    7.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (893)
950

>  <Formula> (893)
C13H12ClN3O2

>  <MolWeight> (893)
277.70628

>  <Cat> (893)
S8641

>  <Name> (893)
Nec-1s (7-Cl-O-Nec1)

>  <Synonyms> (893)
Necrostatin-1 stable

>  <Target> (893)
TNF-alpha

>  <Form> (893)
Free Base

>  <CAS> (893)
852391-15-2

>  <URL> (893)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/09132414022D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3709    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7709    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4709    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8709    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8709    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4709    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5709    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    5.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 12 31  1  0  0  0  0
M  END
>  <Mol_ID> (894)
951

>  <Formula> (894)
C24H18ClN3O3

>  <MolWeight> (894)
431.87102

>  <Cat> (894)
S8654

>  <Name> (894)
ex229 (compound 991)

>  <Synonyms> (894)
N/A

>  <Target> (894)
AMPK

>  <Form> (894)
Free Base

>  <CAS> (894)
1219739-36-2

>  <URL> (894)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/09132414022D

 35 39  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    8.5306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    9.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779   10.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085   10.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    9.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4932   10.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2397    8.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0226    9.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0146    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3461    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3461    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0146    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4787    2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  7  1  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  9 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 30  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (895)
952

>  <Formula> (895)
C24H23FN8O2

>  <MolWeight> (895)
474.4902232

>  <Cat> (895)
S8679

>  <Name> (895)
BTK inhibitor 1 (Compound 27)

>  <Synonyms> (895)
N/A

>  <Target> (895)
BTK

>  <Form> (895)
Free Base

>  <CAS> (895)
2230724-66-8

>  <URL> (895)
http://www.selleckchem.com/products/btk-inhibitor-1-compound27.html

$$$$

csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.7374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1374    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7374    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0374    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3048    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5700    0.8229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2297    5.9380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5208    7.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3084    8.0074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2680    7.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291    8.6407    0.0000 N   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> (896)
953

>  <Formula> (896)
C14H11ClN4S2

>  <MolWeight> (896)
334.84694

>  <Cat> (896)
S8700

>  <Name> (896)
TP0427736 HCl

>  <Synonyms> (896)
N/A

>  <Target> (896)
ALK

>  <Form> (896)
hydrochloride

>  <CAS> (896)
864374-00-5

>  <URL> (896)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/09132414022D

 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
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  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
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  8  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
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 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (897)
954

>  <Formula> (897)
C28H30FN3O4

>  <MolWeight> (897)
491.5539032

>  <Cat> (897)
S8723

>  <Name> (897)
ABBV-744

>  <Synonyms> (897)
N/A

>  <Target> (897)
Epigenetic Reader Do

>  <Form> (897)
Free Base

>  <CAS> (897)
2138861-99-9

>  <URL> (897)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/09132414022D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 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> (898)
955

>  <Formula> (898)
C18H18FN5O2S

>  <MolWeight> (898)
387.4312232

>  <Cat> (898)
S8727

>  <Name> (898)
Atuveciclib (BAY-1143572)

>  <Synonyms> (898)
N/A

>  <Target> (898)
CDK

>  <Form> (898)
Free Base

>  <CAS> (898)
1414943-88-6

>  <URL> (898)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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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
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 22 24  2  0  0  0  0
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M  END
>  <Mol_ID> (899)
956

>  <Formula> (899)
C20H16N4O

>  <MolWeight> (899)
328.36724

>  <Cat> (899)
S8729

>  <Name> (899)
AZ32

>  <Synonyms> (899)
N/A

>  <Target> (899)
ATM/ATR

>  <Form> (899)
Free Base

>  <CAS> (899)
No CAS

>  <URL> (899)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/09132414022D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19  7  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 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> (900)
957

>  <Formula> (900)
C17H20F3N7O2

>  <MolWeight> (900)
411.3816096

>  <Cat> (900)
S8738

>  <Name> (900)
Bimiralisib (PQR309)

>  <Synonyms> (900)
N/A

>  <Target> (900)
PI3K

>  <Form> (900)
Free Base

>  <CAS> (900)
1225037-39-7

>  <URL> (900)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/09132414022D

 36 40  0  0  0  0  0  0  0  0999 V2000
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 35 30  1  0  0  0  0
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M  END
>  <Mol_ID> (901)
958

>  <Formula> (901)
C26H26FN7O2

>  <MolWeight> (901)
487.5287432

>  <Cat> (901)
S8741

>  <Name> (901)
Avitinib (AC0010)

>  <Synonyms> (901)
N/A

>  <Target> (901)
EGFR

>  <Form> (901)
Free Base

>  <CAS> (901)
1557267-42-1

>  <URL> (901)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/09132414022D

 36 39  0  0  0  0  0  0  0  0999 V2000
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 22 17  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 23  1  0  0  0  0
  6 33  1  0  0  0  0
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M  END
>  <Mol_ID> (902)
959

>  <Formula> (902)
C25H25F3N4O4

>  <MolWeight> (902)
502.4856096

>  <Cat> (902)
S8745

>  <Name> (902)
LXH254

>  <Synonyms> (902)
N/A

>  <Target> (902)
Raf

>  <Form> (902)
Free Base

>  <CAS> (902)
1800398-38-2

>  <URL> (902)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/09132414022D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13  8  1  0  0  0  0
  9 14  1  0  0  0  0
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M  END
>  <Mol_ID> (903)
960

>  <Formula> (903)
C22H18N4

>  <MolWeight> (903)
338.40512

>  <Cat> (903)
S8749

>  <Name> (903)
MBQ-167

>  <Synonyms> (903)
N/A

>  <Target> (903)
Rho

>  <Form> (903)
Free Base

>  <CAS> (903)
2097938-73-1

>  <URL> (903)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/09132414022D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  2 28  1  0  0  0  0
 28 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
M  END
>  <Mol_ID> (904)
961

>  <Formula> (904)
C21H25F3N6O2

>  <MolWeight> (904)
450.4574096

>  <Cat> (904)
S8752

>  <Name> (904)
leniolisib(CDZ 173)

>  <Synonyms> (904)
N/A

>  <Target> (904)
PI3K

>  <Form> (904)
Free Base

>  <CAS> (904)
1354690-24-6

>  <URL> (904)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/09132414022D

 29 31  0  0  0  0  0  0  0  0999 V2000
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   10.8909    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 10  1  0  0  0  0
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 26 11  1  0  0  0  0
 27 28  1  0  0  0  0
 27 20  1  0  0  0  0
 27 29  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (905)
962

>  <Formula> (905)
C19H15N3O6S

>  <MolWeight> (905)
413.4039

>  <Cat> (905)
S8754

>  <Name> (905)
Alofanib(RPT835)

>  <Synonyms> (905)
N/A

>  <Target> (905)
FGFR

>  <Form> (905)
Free Base

>  <CAS> (905)
1612888-66-0

>  <URL> (905)
http://www.selleckchem.com/products/alofanib-rpt835.html

$$$$

csChFnd80/09132414022D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    2.1000    0.0000 N   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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
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 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 11  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
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 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (906)
963

>  <Formula> (906)
C24H21BrFN5O2

>  <MolWeight> (906)
510.3582432

>  <Cat> (906)
S8757

>  <Name> (906)
Ripretinib (DCC-2618)

>  <Synonyms> (906)
N/A

>  <Target> (906)
c-Kit

>  <Form> (906)
Free Base

>  <CAS> (906)
1442472-39-0

>  <URL> (906)
http://www.selleckchem.com/products/ripretinib-dcc-2618.html

$$$$

csChFnd80/09132414022D

 36 41  0  0  0  0  0  0  0  0999 V2000
   10.3779    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
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  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 16  9  1  0  0  0  0
 11 17  2  0  0  0  0
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 21 11  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26  7  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 31 27  2  0  0  0  0
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 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 14 36  1  0  0  0  0
M  END
>  <Mol_ID> (907)
964

>  <Formula> (907)
C26H23FN8O

>  <MolWeight> (907)
482.5122232

>  <Cat> (907)
S8764

>  <Name> (907)
IITZ-01

>  <Synonyms> (907)
N/A

>  <Target> (907)
Autophagy

>  <Form> (907)
Free Base

>  <CAS> (907)
1807988-47-1

>  <URL> (907)
http://www.selleckchem.com/products/iitz-01.html

$$$$
S9023 20S-Ginsenoside Rh2.cdx
csChFnd80/09132414022D

 48 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (908)
965

>  <Formula> (908)
C36H62O8

>  <MolWeight> (908)
622.87268

>  <Cat> (908)
S9023

>  <Name> (908)
20S-Ginsenoside Rh2

>  <Form> (908)
free base

>  <CAS> (908)
78214-33-2

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/09132414022D

 46 50  0  0  0  0  0  0  0  0999 V2000
   12.1266    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1266    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3438    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5545    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9159    4.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3438    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7717    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9824    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0856    9.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0856   10.4715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2982    8.3714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
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  2  3  1  0  0  0  0
  5 23  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
M  END
>  <Mol_ID> (909)
966

>  <Formula> (909)
C38H46O8

>  <MolWeight> (909)
630.76704

>  <Cat> (909)
S9031

>  <Name> (909)
Gambogenic acid

>  <Form> (909)
free base

>  <CAS> (909)
173932-75-7

$$$$
S9071 Nootkatone.cdx
csChFnd80/09132414022D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6371    2.1020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6371    0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    2.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    2.8024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.2097    2.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2742    4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  5  1  1  0  0  0
  2  6  2  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  1  0  0  0
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  7 12  1  0  0  0  0
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  9 11  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <Mol_ID> (910)
967

>  <Formula> (910)
C15H22O

>  <MolWeight> (910)
218.33458

>  <Cat> (910)
S9071

>  <Name> (910)
Nootkatone

>  <Form> (910)
free base

>  <CAS> (910)
4674-50-4

$$$$
S9075 Mulberroside A.cdx
csChFnd80/09132414022D

 40 43  0  0  0  0  0  0  0  0999 V2000
    6.0621    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 O   0  0  0  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
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.1998    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
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  1  0  0  0  0
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  1 13  1  0  0  0  0
M  END
>  <Mol_ID> (911)
968

>  <Formula> (911)
C26H32O14

>  <MolWeight> (911)
568.52388

>  <Cat> (911)
S9075

>  <Name> (911)
Mulberroside A

>  <Form> (911)
free base

>  <CAS> (911)
102841-42-9

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (912)
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Anhydroicaritin

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free base

>  <CAS> (912)
118525-40-9

$$$$
S9084 Rhoifolin.cdx
csChFnd80/09132414022D

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970

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C27H30O14

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S9084

>  <Name> (913)
Rhoifolin

>  <Form> (913)
free base

>  <CAS> (913)
17306-46-6

$$$$
S9092 Norisoboldine.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (914)
971

>  <Formula> (914)
C18H19NO4

>  <MolWeight> (914)
313.34776

>  <Cat> (914)
S9092

>  <Name> (914)
Norisoboldine

>  <Form> (914)
free base

>  <CAS> (914)
23599-69-1

$$$$
S9100 Fraxinellone.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (915)
972

>  <Formula> (915)
C14H16O3

>  <MolWeight> (915)
232.27504

>  <Cat> (915)
S9100

>  <Name> (915)
Fraxinellone

>  <Form> (915)
free base

>  <CAS> (915)
28808-62-0

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (916)
973

>  <Formula> (916)
C20H28O5

>  <MolWeight> (916)
348.43332

>  <Cat> (916)
S9101

>  <Name> (916)
Ingenol

>  <Form> (916)
free base

>  <CAS> (916)
30220-46-3

$$$$
S9102 Magnolin.cdx
csChFnd80/09132414022D

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$$$$
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480-19-3

$$$$
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M  END
>  <Mol_ID> (920)
977

>  <Formula> (920)
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>  <MolWeight> (920)
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>  <Cat> (920)
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>  <Name> (920)
Kaempferitrin

>  <Form> (920)
free base

>  <CAS> (920)
482-38-2

$$$$
S9114 Polyphyllin I.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (921)
978

>  <Formula> (921)
C44H70O16

>  <MolWeight> (921)
855.017

>  <Cat> (921)
S9114

>  <Name> (921)
Polyphyllin I

>  <Form> (921)
free base

>  <CAS> (921)
50773-41-6

$$$$
S9118 Beta-Asarone.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (922)
979

>  <Formula> (922)
C12H16O3

>  <MolWeight> (922)
208.25364

>  <Cat> (922)
S9118

>  <Name> (922)
Beta-Asarone

>  <Form> (922)
free base

>  <CAS> (922)
5273-86-9

$$$$
S9120 Scutellarein.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (923)
980

>  <Formula> (923)
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>  <MolWeight> (923)
286.2363

>  <Cat> (923)
S9120

>  <Name> (923)
Scutellarein

>  <CAS> (923)
529-53-3

$$$$
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csChFnd80/09132414022D

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M  END
>  <Mol_ID> (924)
981

>  <Formula> (924)
C20H26O4

>  <MolWeight> (924)
330.41804

>  <Cat> (924)
S9127

>  <Name> (924)
Carnosol

>  <Form> (924)
free base

>  <CAS> (924)
5957-80-2

$$$$
S9141 Berbamine.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (925)
982

>  <Formula> (925)
C37H40N2O6

>  <MolWeight> (925)
608.7233

>  <Cat> (925)
S9141

>  <Name> (925)
Berbamine

>  <Form> (925)
free base

>  <CAS> (925)
478-61-5

$$$$
S9152 Epiberberine.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (926)
983

>  <Formula> (926)
C20H18NO4+

>  <MolWeight> (926)
336.36122

>  <Cat> (926)
S9152

>  <Name> (926)
Epiberberine

>  <Form> (926)
free base

>  <CAS> (926)
1816598

$$$$
S9159 Momordin Ic.cdx
csChFnd80/09132414022D

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>  <Formula> (927)
C41H64O13

>  <MolWeight> (927)
764.93906

>  <Cat> (927)
S9159

>  <Name> (927)
Momordin Ic

>  <Form> (927)
free base

>  <CAS> (927)
96990-18-0

$$$$
S9162 Rubimaillin.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (928)
985

>  <Formula> (928)
C17H16O4

>  <MolWeight> (928)
284.30654

>  <Cat> (928)
S9162

>  <Name> (928)
Rubimaillin

>  <CAS> (928)
55481-88-4

$$$$
S9172 Phellodendrine.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (929)
986

>  <Formula> (929)
C20H24NO4+

>  <MolWeight> (929)
342.40886

>  <Cat> (929)
S9172

>  <Name> (929)
Phellodendrine

>  <Form> (929)
free base

>  <CAS> (929)
6873-13-8

$$$$
S9184 Forsythoside B.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (930)
987

>  <Formula> (930)
C34H44O19

>  <MolWeight> (930)
756.70176

>  <Cat> (930)
S9184

>  <Name> (930)
Forsythoside B

>  <Form> (930)
free base

>  <CAS> (930)
81525-13-5

$$$$
S9190 Oroxin B.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (931)
988

>  <Formula> (931)
C27H30O15

>  <MolWeight> (931)
594.5181

>  <Cat> (931)
S9190

>  <Name> (931)
Oroxin B

>  <Form> (931)
free base

>  <CAS> (931)
114482-86-9

$$$$

csChFnd80/09132414022D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (932)
989

>  <Formula> (932)
C16H11N3O2

>  <MolWeight> (932)
277.27744

>  <Cat> (932)
S2009

>  <Name> (932)
Indirubin-3'-monoxime

>  <Synonyms> (932)
Indirubin-3'-oxime

>  <Target> (932)
CDK

>  <Form> (932)
Free Base

>  <CAS> (932)
160807-49-8

>  <URL> (932)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (933)
990

>  <Formula> (933)
C20H20N4O3S

>  <MolWeight> (933)
396.4628

>  <Cat> (933)
S2039

>  <Name> (933)
IRAK inhibitor 6

>  <Synonyms> (933)
N/A

>  <Target> (933)
IL Receptor

>  <Form> (933)
Free Base

>  <CAS> (933)
1042672-97-8

>  <URL> (933)
http://www.selleck.cn/products/irak-inhibitor-6.html

$$$$
S9230 Vaccarin.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (934)
991

>  <Formula> (934)
C32H38O19

>  <MolWeight> (934)
726.63272

>  <Cat> (934)
S9230

>  <Name> (934)
Vaccarin

>  <Form> (934)
free base

>  <CAS> (934)
53452-16-7

$$$$
S9240 Isofraxidin.cdx
csChFnd80/09132414022D

 16 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (935)
992

>  <Formula> (935)
C11H10O5

>  <MolWeight> (935)
222.1941

>  <Cat> (935)
S9240

>  <Name> (935)
Isofraxidin

>  <Form> (935)
free base

>  <CAS> (935)
486-21-5

$$$$
S9242 Narirutin.cdx
csChFnd80/09132414022D

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 21  6  2  0  0  0  0
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M  END
>  <Mol_ID> (936)
993

>  <Formula> (936)
C27H32O14

>  <MolWeight> (936)
580.53458

>  <Cat> (936)
S9242

>  <Name> (936)
Narirutin

>  <Form> (936)
free base

>  <CAS> (936)
14259-46-2

$$$$
S9275 Isoguanosine.cdx
csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (937)
994

>  <Formula> (937)
C10H13N5O5

>  <MolWeight> (937)
283.24072

>  <Cat> (937)
S9275

>  <Name> (937)
Isoguanosine

>  <Form> (937)
free base

>  <CAS> (937)
1818-71-9

$$$$

csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 19  3  2  0  0  0  0
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M  END
>  <Mol_ID> (938)
995

>  <Formula> (938)
C19H21N3O2S

>  <MolWeight> (938)
355.45394

>  <Cat> (938)
S2070

>  <Name> (938)
ISCK03

>  <Synonyms> (938)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (938)
c-Kit

>  <Form> (938)
Free Base

>  <CAS> (938)
945526-43-2

>  <URL> (938)
http://www.selleck.cn/products/isck03.html

$$$$
S9288 Casticin.cdx
csChFnd80/09132414022D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (939)
996

>  <Formula> (939)
C19H18O8

>  <MolWeight> (939)
374.34142

>  <Cat> (939)
S9288

>  <Name> (939)
Casticin

>  <Form> (939)
free base

>  <CAS> (939)
479-91-4

$$$$
S9314 Atractylenolide II.cdx
csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 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> (940)
997

>  <Formula> (940)
C15H20O2

>  <MolWeight> (940)
232.3181

>  <Cat> (940)
S9314

>  <Name> (940)
Atractylenolide II

>  <Form> (940)
free base

>  <CAS> (940)
73069-14-4

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/09132414022D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  4 10  1  0  0  0  0
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 10 14  2  0  0  0  0
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 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (941)
998

>  <Formula> (941)
C21H22O7

>  <MolWeight> (941)
386.39518

>  <Cat> (941)
S9315

>  <Name> (941)
Praeruptorin A

>  <Form> (941)
free base

>  <CAS> (941)
73069-25-7

$$$$
S5548 7-Hydroxy-4-chromone.cdx
csChFnd80/09132414022D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.6428    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (942)
999

>  <Formula> (942)
C9H6O3

>  <MolWeight> (942)
162.14214

>  <Cat> (942)
S5548

>  <Name> (942)
7-Hydroxy-4-chromone

>  <Target> (942)
Src

>  <Form> (942)
free base

>  <CAS> (942)
59887-89-7

>  <URL> (942)
http://selleckchem.com/products/.html

$$$$
S5617 Myristic Acid.cdx
csChFnd80/09132414022D

 16 15  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (943)
1000

>  <Formula> (943)
C14H28O2

>  <MolWeight> (943)
228.37092

>  <Cat> (943)
S5617

>  <Name> (943)
Myristic Acid

>  <Form> (943)
free base

>  <CAS> (943)
544-63-8

$$$$
S9041 Corosolic acid.cdx
csChFnd80/09132414022D

 37 41  0  0  0  0  0  0  0  0999 V2000
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 14  5  1  0  0  0  0
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 21  6  1  0  0  0  0
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 31  9  1  0  0  0  0
 32  9  1  0  0  0  0
 12  9  1  0  0  0  0
 18 10  1  0  0  0  0
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M  END
>  <Mol_ID> (944)
1001

>  <Formula> (944)
C30H48O4

>  <MolWeight> (944)
472.69972

>  <Cat> (944)
S9041

>  <Name> (944)
Corosolic acid

>  <Form> (944)
free base

>  <CAS> (944)
4547-24-4

$$$$
S9035 Isovitexin.cdx
csChFnd80/09132414022D

 31 34  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
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M  END
>  <Mol_ID> (945)
1002

>  <Formula> (945)
C21H20O10

>  <MolWeight> (945)
432.3775

>  <Cat> (945)
S9035

>  <Name> (945)
Isovitexin

>  <Form> (945)
free base

>  <CAS> (945)
29702-25-8

$$$$
S9042 Wedelolactone.cdx
csChFnd80/09132414022D

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1003

>  <Formula> (946)
C16H10O7

>  <MolWeight> (946)
314.2464

>  <Cat> (946)
S9042

>  <Name> (946)
Wedelolactone

>  <Form> (946)
free base

>  <CAS> (946)
524-12-9

$$$$
S9022 20S-Ginsenoside Rg3.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (947)
1004

>  <Formula> (947)
C42H72O13

>  <MolWeight> (947)
785.01328

>  <Cat> (947)
S9022

>  <Name> (947)
20S-Ginsenoside Rg3

>  <Form> (947)
free base

>  <CAS> (947)
14197-60-5

$$$$
S9359 Anthraquinone-2-carboxylic Acid.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (948)
1006

>  <Formula> (948)
C15H8O4

>  <MolWeight> (948)
252.22162

>  <Cat> (948)
S9359

>  <Name> (948)
Anthraquinone-2-carboxylic Acid

>  <Form> (948)
free base

>  <CAS> (948)
117-78-2

$$$$
S9376 Benzylacetone.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (949)
1007

>  <Formula> (949)
C10H12O

>  <MolWeight> (949)
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>  <Cat> (949)
S9376

>  <Name> (949)
Benzylacetone

>  <Form> (949)
free base

>  <CAS> (949)
2550-26-7

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (950)
1008

>  <Formula> (950)
C43H44ClFN4O11S3

>  <MolWeight> (950)
943.4760632

>  <Cat> (950)
S5241

>  <Name> (950)
Lapatinib ditosylate monohydrate

>  <Synonyms> (950)
Tykerb Ditosylate

>  <Target> (950)
Others

>  <Form> (950)
ditosylate monohydrate

>  <CAS> (950)
388082-78-8

>  <URL> (950)
http://selleckchem.com/products/.html

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (951)
1009

>  <Formula> (951)
C22H27Cl2N7O2S

>  <MolWeight> (951)
524.46648

>  <Cat> (951)
S5254

>  <Name> (951)
Dasatinib hydrochloride

>  <Synonyms> (951)
BMS 354825 hydrochloride

>  <Target> (951)
Abl/Src

>  <Form> (951)
hydrochloride 

>  <CAS> (951)
854001-07-3

>  <URL> (951)
http://selleckchem.com/products/.html

$$$$
S5716 Abemaciclib.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (952)
1010

>  <Formula> (952)
C27H32F2N8

>  <MolWeight> (952)
506.5933864

>  <Cat> (952)
S5716

>  <Name> (952)
Abemaciclib

>  <Synonyms> (952)
LY2835219

>  <Target> (952)
CDK

>  <Form> (952)
free base

>  <CAS> (952)
1231929-97-7 

>  <URL> (952)
http://selleckchem.com/products/abemaciclib.html

$$$$
S5667 Fruquintinib.cdx
csChFnd80/09132414022D

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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6  4  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  3 10  1  0  0  0  0
  2 13  1  0  0  0  0
 12 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 16 25  2  0  0  0  0
 20 25  1  0  0  0  0
 26 27  1  0  0  0  0
 23 26  1  0  0  0  0
 28 29  1  0  0  0  0
 22 28  1  0  0  0  0
 15 19  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (953)
1011

>  <Formula> (953)
C21H19N3O5

>  <MolWeight> (953)
393.39266

>  <Cat> (953)
S5667

>  <Name> (953)
Fruquintinib

>  <Target> (953)
VEGFRs

>  <CAS> (953)
1194506-26-7

>  <URL> (953)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

csChFnd80/09132414022D

 42 44  0  0  0  0  0  0  0  0999 V2000
    2.2264    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2264    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6513    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6513    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8637    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0761    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    8.4544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9259    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7134    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8637    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3465    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9589    9.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9800    5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    5.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    7.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7800    5.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
  9 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  9  1  0  0  0  0
 21 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 30 36  1  0  0  0  0
 11 37  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (954)
1013

>  <Formula> (954)
C29H37N7O5S

>  <MolWeight> (954)
595.71298

>  <Cat> (954)
S5078

>  <Name> (954)
Osimertinib mesylate

>  <Synonyms> (954)
AZD9291 mesylate

>  <Target> (954)
EGFR

>  <Form> (954)
mesylate

>  <CAS> (954)
1421373-66-1

>  <URL> (954)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/09132414022D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.2159    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    2.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6409    4.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1848    4.2158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8534    3.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8534    2.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1848    1.9505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1078    4.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1077    1.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5077    1.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2077    0.6579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6077    0.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3077    1.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6078    3.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2078    3.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5078    4.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3080    4.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7080    4.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6160    5.5426    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
  6  7  2  0  0  0  0
 14 15  1  0  0  0  0
  7 12  1  0  0  0  0
 15 16  2  0  0  0  0
  1  2  1  0  0  0  0
 15 17  1  0  0  0  0
 11  8  1  0  0  0  0
 17 18  1  0  0  0  0
  3  4  1  0  0  0  0
 18 19  2  0  0  0  0
  8  9  2  0  0  0  0
 19 20  1  0  0  0  0
  9  6  1  0  0  0  0
 20 21  2  0  0  0  0
 11 12  2  0  0  0  0
 21 22  1  0  0  0  0
  4  5  2  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
  5  1  1  0  0  0  0
 23 24  1  0  0  0  0
  2  3  2  0  0  0  0
 22 25  1  0  0  0  0
  1  6  1  0  0  0  0
 25 26  1  0  0  0  0
 10 27  1  0  0  0  0
M  END
>  <Mol_ID> (955)
1014

>  <Formula> (955)
C19H17N4NaO2S

>  <MolWeight> (955)
388.41865

>  <Cat> (955)
S5502

>  <Name> (955)
Ilaprazole sodium

>  <Synonyms> (955)
IY-81149 sodium

>  <Target> (955)
Proton Pump

>  <Form> (955)
Sodium Salt

>  <CAS> (955)
172152-50-0

>  <URL> (955)
http://www.selleckchem.com/products/iiaprazole-sodium.html

$$$$

csChFnd80/09132414022D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.2000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5000    4.8497    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    6.4294    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (956)
1015

>  <Formula> (956)
C16H21Cl2N3

>  <MolWeight> (956)
326.26404

>  <Cat> (956)
S5670

>  <Name> (956)
Chloropyramine hydrochloride

>  <Synonyms> (956)
Halopyramine hydrochloride

>  <Target> (956)
Histamine Receptor

>  <Form> (956)
hydrochloride

>  <CAS> (956)
6170-42-9

>  <URL> (956)
http://www.selleckchem.com/products/chloropyramine-hydrochloride.html

$$$$

csChFnd80/09132414022D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    1.2724    1.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4081    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    2.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8261    0.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6905    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5392    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8166    3.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8219    4.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1549    4.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9736    3.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1466    2.5899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3688    3.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4659    4.9234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1614    3.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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 12  8  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (957)
1017

>  <Formula> (957)
C22H21ClN2O3

>  <MolWeight> (957)
396.86674

>  <Cat> (957)
S5792

>  <Name> (957)
CID 2011756

>  <Synonyms> (957)
N/A

>  <Target> (957)
Serine/threonin kina

>  <Form> (957)
Free Base

>  <CAS> (957)
638156-11-3

>  <URL> (957)
http://www.selleckchem.com/products/cid-2011756.html

$$$$

csChFnd80/09132414022D

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  7  1  1  0  0  0  0
 15  1  2  0  0  0  0
  5  2  2  0  0  0  0
 19  2  1  0  0  0  0
  3  9  2  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
  6 11  2  0  0  0  0
  8  6  1  0  0  0  0
 12  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 14  8  1  0  0  0  0
  9 12  1  0  0  0  0
 18 10  1  0  0  0  0
 11 17  1  0  0  0  0
 17 12  2  0  0  0  0
 13 23  2  0  0  0  0
 16 25  2  0  0  0  0
 24 16  1  0  0  0  0
 20 18  1  0  0  0  0
 28 19  2  0  0  0  0
 26 20  1  0  0  0  0
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 23 28  1  0  0  0  0
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M  END
>  <Mol_ID> (958)
1018

>  <Formula> (958)
C22H23N5O

>  <MolWeight> (958)
373.45092

>  <Cat> (958)
S5793

>  <Name> (958)
Motesanib (AMG-706)

>  <Synonyms> (958)
N/A

>  <Target> (958)
VEGFR

>  <Form> (958)
Free Base

>  <CAS> (958)
453562-69-1

>  <URL> (958)
http://www.selleckchem.com/products/motesanib-amg-706.html

$$$$

csChFnd80/09132414022D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
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  4 27  1  0  0  0  0
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 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
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  5  7  1  0  0  0  0
 19 20  1  0  0  0  0
 13 10  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (959)
1019

>  <Formula> (959)
C20H18N2O4S

>  <MolWeight> (959)
382.43292

>  <Cat> (959)
S5807

>  <Name> (959)
HMN-176

>  <Synonyms> (959)
N/A

>  <Target> (959)
Others

>  <Form> (959)
Free Base

>  <CAS> (959)
173529-10-7

>  <URL> (959)
http://www.selleckchem.com/products/hmn-176.html

$$$$

csChFnd80/09132414022D

 30 34  0  0  0  0  0  0  0  0999 V2000
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
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M  END
>  <Mol_ID> (960)
1020

>  <Formula> (960)
C21H16FN7O

>  <MolWeight> (960)
401.3964432

>  <Cat> (960)
S5818

>  <Name> (960)
acalisib (GS-9820)

>  <Synonyms> (960)
CAL-120

>  <Target> (960)
PI3K

>  <Form> (960)
Free Base

>  <CAS> (960)
870281-34-8

>  <URL> (960)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/09132414022D

 32 36  0  0  0  0  0  0  0  0999 V2000
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1021

>  <Formula> (961)
C24H29N5O3

>  <MolWeight> (961)
435.51876

>  <Cat> (961)
S8772

>  <Name> (961)
LY 3200882 

>  <Synonyms> (961)
N/A

>  <Target> (961)
TGF-beta/Smad

>  <Form> (961)
Free Base

>  <CAS> (961)
1898283-02-7

>  <URL> (961)
http://www.selleckchem.com/products/ly3200882.html

$$$$

csChFnd80/09132414022D

 29 33  0  0  0  0  0  0  0  0999 V2000
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 16 29  1  0  0  0  0
M  END
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1022

>  <Formula> (962)
C24H24N4O

>  <MolWeight> (962)
384.47356

>  <Cat> (962)
S8775

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>  <Synonyms> (962)
N/A

>  <Target> (962)
Serine/threonin kina

>  <Form> (962)
Free Base

>  <CAS> (962)
2158197-70-5

>  <URL> (962)
http://www.selleckchem.com/products/hs-1371.html

$$$$

csChFnd80/09132414022D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (963)
1024

>  <Formula> (963)
C22H21F3N6O2

>  <MolWeight> (963)
458.4363496

>  <Cat> (963)
S8801

>  <Name> (963)
CC-90003

>  <Synonyms> (963)
N/A

>  <Target> (963)
ERK

>  <Form> (963)
Free Base

>  <CAS> (963)
1621999-82-3

>  <URL> (963)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/09132414022D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
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1025

>  <Formula> (964)
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>  <MolWeight> (964)
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>  <Cat> (964)
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>  <Synonyms> (964)
N/A

>  <Target> (964)
AMPK

>  <Form> (964)
Free Base

>  <CAS> (964)
1219737-12-8

>  <URL> (964)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/09132414022D

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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
  7 21  1  0  0  0  0
  5 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  6  0  0  0
 35 38  1  1  0  0  0
 34 39  1  6  0  0  0
 33 40  1  6  0  0  0
 32 30  1  1  0  0  0
 26 30  1  6  0  0  0
 41 42  1  0  0  0  0
 29 41  1  1  0  0  0
 28 43  1  6  0  0  0
 27 44  1  1  0  0  0
 23 25  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
>  <Mol_ID> (965)
1026

>  <Formula> (965)
C28H32O16

>  <MolWeight> (965)
624.54408

>  <Cat> (965)
S9455

>  <Name> (965)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (965)
N/A

>  <Target> (965)
Others

>  <Form> (965)
Free Base

>  <CAS> (965)
55033-90-4

>  <URL> (965)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/09132414022D

 38 42  0  0  0  0  0  0  0  0999 V2000
    7.3952    4.1882    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1465    3.4678    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3952    5.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974    3.4678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9460    4.1882    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5957    6.3009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6974    2.0752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8443    5.5809    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1465    2.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5957    7.6936    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5957    3.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1465    6.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460    5.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460    1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    1.3550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8443    4.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0448    6.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8443    8.4140    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0448    7.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    4.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3470    2.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1465    4.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974    4.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7889    4.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2484    2.0752    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3952    8.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2484    3.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5715    0.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0682    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8443    9.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974    0.6826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5957    4.9085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460    2.7956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6463    8.9823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1117    0.1519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7196    3.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0345    5.6104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  0  0  0  0
  1 21  1  6  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  2  1  0  0  0  0
  9  2  1  0  0  0  0
  2 22  1  1  0  0  0
  6  3  1  0  0  0  0
 12  3  2  0  0  0  0
  5  4  1  0  0  0  0
 20  4  1  0  0  0  0
  4 23  1  1  0  0  0
  7  4  1  0  0  0  0
 13  5  1  0  0  0  0
  5 33  1  6  0  0  0
 10  6  1  0  0  0  0
  8  6  1  0  0  0  0
  6 32  1  1  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
  7 31  1  6  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
  8 24  1  1  0  0  0
 14  9  1  0  0  0  0
 18 10  1  0  0  0  0
 10 26  1  1  0  0  0
 10 35  1  6  0  0  0
 16 11  1  0  0  0  0
 13 12  1  0  0  0  0
 25 15  1  0  0  0  0
 15 28  1  6  0  0  0
 15 29  1  1  0  0  0
 19 17  1  0  0  0  0
 18 30  1  6  0  0  0
 19 18  1  0  0  0  0
 27 20  1  0  0  0  0
 27 25  1  0  0  0  0
 25 34  1  1  0  0  0
 36 28  1  0  0  0  0
 24 37  2  0  0  0  0
 24 38  1  0  0  0  0
M  END
>  <Mol_ID> (966)
1027

>  <Formula> (966)
C30H48O5

>  <MolWeight> (966)
488.69912

>  <Cat> (966)
S9514

>  <Name> (966)
Rotundic acid

>  <Synonyms> (966)
Rutundic acid

>  <Target> (966)
Others

>  <Form> (966)
Free Base

>  <CAS> (966)
20137-37-5

>  <URL> (966)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/09132414022D

 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> (967)
1028

>  <Formula> (967)
C17H16O5

>  <MolWeight> (967)
300.30594

>  <Cat> (967)
S9552

>  <Name> (967)
Farrerol

>  <Synonyms> (967)
N/A

>  <Target> (967)
Others

>  <Form> (967)
Free Base

>  <CAS> (967)
24211-30-1

>  <URL> (967)
http://www.selleckchem.com/products/farrerol.html

$$$$

csChFnd80/09132414022D

 15 16  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
    3.6373    1.4000    0.0000 C   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
    3.6373    4.2000    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 O   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
    0.0000    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  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  2  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  2  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (968)
1029

>  <Formula> (968)
C10H8O5

>  <MolWeight> (968)
208.16752

>  <Cat> (968)
S9503

>  <Name> (968)
Fraxetin

>  <Synonyms> (968)
7,8-dihydroxy-6-methoxy coumarin

>  <Target> (968)
Others

>  <Form> (968)
free base

>  <CAS> (968)
574-84-5

>  <URL> (968)
http://selleckchem.com/products/.html

$$$$

csChFnd80/09132414022D

 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> (969)
1030

>  <Formula> (969)
C10H10O2

>  <MolWeight> (969)
162.1852

>  <Cat> (969)
S6221

>  <Name> (969)
Methyl cinnamate

>  <Synonyms> (969)
N/A

>  <Target> (969)
Others

>  <Form> (969)
free base

>  <CAS> (969)
103-26-4

>  <URL> (969)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/09132414022D

 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> (970)
1031

>  <Formula> (970)
C7H9N5

>  <MolWeight> (970)
163.17986

>  <Cat> (970)
S6088

>  <Name> (970)
6-(Dimethylamino)purine

>  <Synonyms> (970)
N,N-Dimethyladenine

>  <Target> (970)
Serine/threonin kina

>  <Form> (970)
free base

>  <CAS> (970)
938-55-6

>  <URL> (970)
http://www.selleck.cn/products/6-dimethylamino-purine.html

$$$$

csChFnd80/09132414022D

 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
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M  END
>  <Mol_ID> (971)
1032

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C9H10O4

>  <MolWeight> (971)
182.1733

>  <Cat> (971)
S6338

>  <Name> (971)
3,4-Dihydroxyhydrocinnamic acid

>  <Synonyms> (971)
Dihydrocaffeic acid

>  <Target> (971)
Others

>  <Form> (971)
free base

>  <CAS> (971)
1078-61-1

>  <URL> (971)
http://www.selleck.cn/products/3-4-dihydroxyhydrocinnamic-acid.html

$$$$

csChFnd80/09132414022D

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1033

>  <Formula> (972)
C25H23FN8O2S2

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550.6309232

>  <Cat> (972)
S7564

>  <Name> (972)
SAR125844

>  <Synonyms> (972)
N/A

>  <Target> (972)
c-Met

>  <Form> (972)
free base

>  <CAS> (972)
1116743-46-4

>  <URL> (972)
http://www.selleck.cn/products/sar125844.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (973)
1035

>  <Formula> (973)
C14H21N5O2S

>  <MolWeight> (973)
323.41384

>  <Cat> (973)
S8765

>  <Name> (973)
PF-04965842

>  <Synonyms> (973)
N/A

>  <Target> (973)
JAK

>  <Form> (973)
free base

>  <CAS> (973)
1622902-68-4

>  <URL> (973)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/09132414022D

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1036

>  <Formula> (974)
C24H26FN7O3

>  <MolWeight> (974)
479.5067432

>  <Cat> (974)
S8780

>  <Name> (974)
AZD3229

>  <Synonyms> (974)
N/A

>  <Target> (974)
c-Kit

>  <Form> (974)
free base

>  <CAS> (974)
2248003-60-1

>  <URL> (974)
http://www.selleck.cn/products/azd3229.html

$$$$

csChFnd80/09132414022D

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1038

>  <Formula> (975)
C18H11F3N2O

>  <MolWeight> (975)
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>  <Cat> (975)
S8807

>  <Name> (975)
PFK158

>  <Synonyms> (975)
N/A

>  <Target> (975)
Autophagy

>  <Form> (975)
free base

>  <CAS> (975)
1462249-75-7

>  <URL> (975)
http://www.selleck.cn/products/pfk158.html

$$$$

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1039

>  <Formula> (976)
C27H24F3N5O2

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507.5069696

>  <Cat> (976)
S8810

>  <Name> (976)
SPHINX31

>  <Synonyms> (976)
N/A

>  <Target> (976)
Serine/threonin kina

>  <Form> (976)
free base

>  <CAS> (976)
1818389-84-2

>  <URL> (976)
http://www.selleck.cn/products/sphinx31.html

$$$$

csChFnd80/09132414022D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (977)
1041

>  <Formula> (977)
C21H19ClNO4+

>  <MolWeight> (977)
384.83286

>  <Cat> (977)
S1292

>  <Name> (977)
Chelerythrine Chloride

>  <Synonyms> (977)
N/A

>  <Target> (977)
PKC

>  <Form> (977)
Chloride

>  <CAS> (977)
3895-92-9

>  <URL> (977)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/09132414022D

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1042

>  <Formula> (978)
C26H31Cl2N7O3

>  <MolWeight> (978)
560.47544

>  <Cat> (978)
S2183

>  <Name> (978)
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>  <Synonyms> (978)
N/A

>  <Target> (978)
FGFR

>  <Form> (978)
Free Base

>  <CAS> (978)
872511-34-7

>  <URL> (978)
http://www.selleck.cn/products/bgj398-nvp-bgj398.html

$$$$

csChFnd80/09132414022D

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M  END
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1043

>  <Formula> (979)
C18H21F2N7O

>  <MolWeight> (979)
389.4024464

>  <Cat> (979)
S8804

>  <Name> (979)
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>  <Synonyms> (979)
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>  <Target> (979)
JAK

>  <Form> (979)
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http://www.selleck.cn/products/pf-06700841.html

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1899921-05-1

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http://www.selleck.cn/products/hs-10296.html

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>  <Target> (981)
c-RET

>  <Form> (981)
Free Base

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1627856-64-7

>  <URL> (981)
http://www.selleck.cn/products/gsk3179106.html

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1609522-33-9

>  <URL> (982)
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518-17-2

>  <URL> (983)
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1048

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C23H21N5O3

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N/A

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Epigenetic Reader Do

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Free Base

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1300031-49-5

>  <URL> (984)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

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M  END
>  <Mol_ID> (985)
1049

>  <Formula> (985)
C7H9ClN2

>  <MolWeight> (985)
156.61276

>  <Cat> (985)
S4956

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Benzamidine HCl

>  <Synonyms> (985)
N/A

>  <Target> (985)
Serine/threonin kina

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HCl

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1670-14-0

>  <URL> (985)
http://www.selleck.cn/products/benzamidine-hcl.html

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csChFnd80/09132414022D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 12  4  1  0  0  0  0
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 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
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M  END
>  <Mol_ID> (986)
1050

>  <Formula> (986)
C23H26N6O2

>  <MolWeight> (986)
418.49154

>  <Cat> (986)
S6414

>  <Name> (986)
Apilimod

>  <Synonyms> (986)
STA-5326

>  <Target> (986)
PI3K

>  <Form> (986)
Free Base

>  <CAS> (986)
541550-19-0

>  <URL> (986)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/09132414022D

 30 32  0  0  0  0  0  0  0  0999 V2000
    8.4869    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  9  1  1  0  0  0
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1051

>  <Formula> (987)
C25H35N3O2

>  <MolWeight> (987)
409.5643

>  <Cat> (987)
S6418

>  <Name> (987)
PF 429242

>  <Synonyms> (987)
N/A

>  <Target> (987)
S1P Receptor

>  <Form> (987)
Free Base

>  <CAS> (987)
947303-87-9

>  <URL> (987)
http://www.selleck.cn/products/pf429242.html

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csChFnd80/09132414022D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 20  5  1  0  0  0  0
 23  6  1  0  0  0  0
 10  7  2  0  0  0  0
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 18 13  1  0  0  0  0
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1052

>  <Formula> (988)
C23H19NO3

>  <MolWeight> (988)
357.40186

>  <Cat> (988)
S6424

>  <Name> (988)
TAS-301

>  <Synonyms> (988)
N/A

>  <Target> (988)
Others

>  <Form> (988)
Free Base

>  <CAS> (988)
193620-69-8

>  <URL> (988)
http://www.selleck.cn/products/tas-301.html

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csChFnd80/09132414022D

 28 33  0  0  0  0  0  0  0  0999 V2000
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    4.8497    4.2000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   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
    6.0622    4.9000    0.0000 N   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    4.9000    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    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   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
    2.4249    7.0000    0.0000 N   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
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    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 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
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 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
    3.6373    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
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  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  8  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  2  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 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 16  1  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 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
  1 24  1  0  0  0  0
M  END
>  <Mol_ID> (989)
1053

>  <Formula> (989)
C18H12CrN3O6

>  <MolWeight> (989)
418.30048

>  <Cat> (989)
S6443

>  <Name> (989)
Chromium picolinate

>  <Synonyms> (989)
N/A

>  <Target> (989)
Others

>  <Form> (989)
Free Base

>  <CAS> (989)
14639-25-9

>  <URL> (989)
http://www.selleck.cn/products/chromium-picolinate.html

$$$$

csChFnd80/09132414022D

 40 44  0  0  0  0  0  0  0  0999 V2000
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    8.4871    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    8.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.2124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    2.4249    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
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  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 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
 13 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
  7 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  7  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
 24 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
M  END
>  <Mol_ID> (990)
1055

>  <Formula> (990)
C29H39ClN7O2P

>  <MolWeight> (990)
584.092421

>  <Cat> (990)
S8229

>  <Name> (990)
Brigatinib (AP26113)

>  <Synonyms> (990)
N/A

>  <Target> (990)
ALK

>  <Form> (990)
Free Base

>  <CAS> (990)
1197953-54-0

>  <URL> (990)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

csChFnd80/09132414022D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 N   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
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    9.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035   10.4694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    9.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7715   10.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2673    7.7142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0693    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 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
 17 21  1  0  0  0  0
 21 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
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (991)
1056

>  <Formula> (991)
C19H18N4O3

>  <MolWeight> (991)
350.37122

>  <Cat> (991)
S8684

>  <Name> (991)
Selective JAK3 inhibitor 1

>  <Synonyms> (991)
N/A

>  <Target> (991)
JAK

>  <Form> (991)
Free Base

>  <CAS> (991)
1443235-95-7

>  <URL> (991)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/09132414022D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8827    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0951    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5504    6.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6836    6.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9419    5.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1025    6.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0049    8.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7465    8.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5859    7.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
  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
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  7 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  7  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
>  <Mol_ID> (992)
1057

>  <Formula> (992)
C23H20FN7O

>  <MolWeight> (992)
429.4496032

>  <Cat> (992)
S8693

>  <Name> (992)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (992)
N/A

>  <Target> (992)
PI3K

>  <Form> (992)
Free Base

>  <CAS> (992)
2088525-31-7

>  <URL> (992)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/09132414022D

 50 56  0  0  0  0  0  0  0  0999 V2000
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ERK

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1184173-73-6

>  <URL> (993)
http://www.selleck.cn/products/mk-8353-sch900353.html

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>  <Formula> (994)
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INCB054329£¨INCB-054329,INCB-54329£©

>  <Synonyms> (994)
N/A

>  <Target> (994)
Epigenetic Reader Do

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Free Base

>  <CAS> (994)
1628607-64-6

>  <URL> (994)
http://www.selleck.cn/products/incb054329.html

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Trk receptor

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Free Base

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2095616-82-1

>  <URL> (995)
http://www.selleck.cn/products/ch7057288.html

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   11.2045    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2045    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6045    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5045    8.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2921    6.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045   10.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7169   10.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9294   10.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1418   10.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1418   12.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9294   12.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7169   12.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493    5.5584    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  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  3 10  1  6  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 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
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 17 10  1  0  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
 12 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 12  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 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
 11 34  2  0  0  0  0
 11 35  1  0  0  0  0
M  END
>  <Mol_ID> (996)
1061

>  <Formula> (996)
C27H29N5O3

>  <MolWeight> (996)
471.55086

>  <Cat> (996)
S8791

>  <Name> (996)
Zanubrutinib (BGB-3111)

>  <Synonyms> (996)
N/A

>  <Target> (996)
BTK

>  <Form> (996)
Free Base

>  <CAS> (996)
1691249-45-2

>  <URL> (996)
http://www.selleck.cn/products/zanubrutini-bgb-3111.html

$$$$

csChFnd80/09132414022D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.2124   10.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.5444    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.6444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.7444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    6.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3702    3.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3702    5.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5028    2.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7818    3.4942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9144    2.6713    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.1934    3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7681    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9452    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 27  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
M  END
>  <Mol_ID> (997)
1062

>  <Formula> (997)
C22H16F4N4OS

>  <MolWeight> (997)
460.4472528

>  <Cat> (997)
S8793

>  <Name> (997)
ULK-101

>  <Synonyms> (997)
N/A

>  <Target> (997)
Autophagy

>  <Form> (997)
Free Base

>  <CAS> (997)
no cas

>  <URL> (997)
http://www.selleck.cn/products/ulk-101.html

$$$$

csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.4213    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4213    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    7.6854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0049    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.3693    4.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0544    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (998)
1063

>  <Formula> (998)
C14H14ClFN8

>  <MolWeight> (998)
348.7659632

>  <Cat> (998)
S2162

>  <Name> (998)
AZD1480

>  <Synonyms> (998)
N/A

>  <Target> (998)
JAK

>  <Form> (998)
free base

>  <CAS> (998)
935666-88-9

>  <URL> (998)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/09132414022D

 37 41  0  0  0  0  0  0  0  0999 V2000
   21.4061    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9275    1.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5489    0.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6490    1.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1276    3.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5062    3.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8275    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.2276    4.2893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8489    4.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3702    2.7305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9490    5.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7365    4.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8487    6.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4699    6.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
    3.8248    2.3171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    3.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    4.4168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3998    2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7002    1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6743    5.1177    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 11  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 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> (999)
1064

>  <Formula> (999)
C26H21F3N4O4

>  <MolWeight> (999)
510.4645496

>  <Cat> (999)
S6412

>  <Name> (999)
Altiratinib

>  <Synonyms> (999)
DCC-2701

>  <Target> (999)
Trk receptor

>  <Form> (999)
free base

>  <CAS> (999)
1345847-93-9

>  <URL> (999)
http://www.selleck.cn/products/altiratinib.html

$$$$

csChFnd80/09132414022D

 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
    4.5798    4.3637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.1970    6.8308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5673    1.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0027    0.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3727    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  3  7  1  0  0  0  0
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  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> (1,000)
1065

>  <Formula> (1,000)
C12H12O2

>  <MolWeight> (1,000)
188.22248

>  <Cat> (1,000)
S6493

>  <Name> (1,000)
n-Butylidenephthalide

>  <Synonyms> (1,000)
N/A

>  <Target> (1,000)
Others

>  <Form> (1,000)
free base

>  <CAS> (1,000)
551-08-6

>  <URL> (1,000)
http://www.selleck.cn/products/n-butylidenephthalide.html

$$$$

csChFnd80/09132414022D

 13 13  0  0  0  0  0  0  0  0999 V2000
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    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  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> (1,001)
1067

>  <Formula> (1,001)
C8H7BrO3

>  <MolWeight> (1,001)
231.04338

>  <Cat> (1,001)
S6495

>  <Name> (1,001)
6-Bromo-2-hydroxy-3-methoxybenzaldehyde

>  <Synonyms> (1,001)
N/A

>  <Target> (1,001)
Others

>  <Form> (1,001)
free base

>  <CAS> (1,001)
20035-41-0

>  <URL> (1,001)
http://www.selleck.cn/products/6-bromo-2-hydroxy-3-methoxybenzaldehyde.html

$$$$

csChFnd80/09132414022D

 30 32  0  0  0  0  0  0  0  0999 V2000
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    9.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.6995   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 14  1  6  0  0  0
 13 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 21 25  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  2  0  0  0  0
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 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,002)
1068

>  <Formula> (1,002)
C24H38N2O4

>  <MolWeight> (1,002)
418.56952

>  <Cat> (1,002)
S6496

>  <Name> (1,002)
Genz-123346 free base

>  <Synonyms> (1,002)
N/A

>  <Target> (1,002)
Others

>  <Form> (1,002)
free base

>  <CAS> (1,002)
491833-30-8

>  <URL> (1,002)
http://www.selleck.cn/products/genz-123346-free-base.html

$$$$

csChFnd80/09132414022D

 18 19  0  0  0  0  0  0  0  0999 V2000
   10.9031    2.9884    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2695    2.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2377    0.7425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2  6  1  0  0  0  0
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  6  7  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,003)
1069

>  <Formula> (1,003)
C13H13NO3S

>  <MolWeight> (1,003)
263.31222

>  <Cat> (1,003)
S6497

>  <Name> (1,003)
SMI-16a

>  <Synonyms> (1,003)
N/A

>  <Target> (1,003)
Pim

>  <Form> (1,003)
free base

>  <CAS> (1,003)
587852-28-6

>  <URL> (1,003)
http://www.selleck.cn/products/smi-16a.html

$$$$

csChFnd80/09132414022D

 28 30  0  0  0  0  0  0  0  0999 V2000
   14.8525    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4904    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9152    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 23  1  0  0  0  0
  2 23  1  0  0  0  0
  3 23  1  0  0  0  0
  4  9  1  0  0  0  0
  4 25  1  0  0  0  0
  5 15  2  0  0  0  0
  6 24  2  0  0  0  0
  7 11  1  0  0  0  0
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  8 12  1  0  0  0  0
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 24 25  1  0  0  0  0
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 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,004)
1070

>  <Formula> (1,004)
C19H14F3N3O3

>  <MolWeight> (1,004)
389.3279696

>  <Cat> (1,004)
S6498

>  <Name> (1,004)
T56-LIMKi

>  <Synonyms> (1,004)
N/A

>  <Target> (1,004)
Others

>  <Form> (1,004)
free base

>  <CAS> (1,004)
924473-59-6

>  <URL> (1,004)
http://www.selleck.cn/products/t56-limki.html

$$$$

csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2745    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6992    2.7999    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
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M  END
>  <Mol_ID> (1,005)
1071

>  <Formula> (1,005)
C16H13ClN4

>  <MolWeight> (1,005)
296.75422

>  <Cat> (1,005)
S6499

>  <Name> (1,005)
PF-6260933

>  <Synonyms> (1,005)
N/A

>  <Target> (1,005)
Serine/threonin kina

>  <Form> (1,005)
free base

>  <CAS> (1,005)
1811510-56-1

>  <URL> (1,005)
http://www.selleck.cn/products/pf-6260933.html

$$$$

csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    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> (1,010)
1076

>  <Formula> (1,010)
C16H15N3O2

>  <MolWeight> (1,010)
281.3092

>  <Cat> (1,010)
S6506

>  <Name> (1,010)
Compound 401

>  <Synonyms> (1,010)
N/A

>  <Target> (1,010)
DNA-PK

>  <Form> (1,010)
free base

>  <CAS> (1,010)
168425-64-7

>  <URL> (1,010)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/09132414022D

 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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (1,011)
1077

>  <Formula> (1,011)
C24H28ClN2O7PS

>  <MolWeight> (1,011)
554.980081

>  <Cat> (1,011)
S6507

>  <Name> (1,011)
KN-92 phosphate

>  <Synonyms> (1,011)
N/A

>  <Target> (1,011)
Others

>  <Form> (1,011)
phosphate

>  <CAS> (1,011)
1135280-28-2

>  <URL> (1,011)
http://www.selleck.cn/products/kn-92-phosphate.html

$$$$

csChFnd80/09132414022D

 32 36  0  0  0  0  0  0  0  0999 V2000
   15.9492    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2244    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    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
    0.7000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  9 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
 21 23  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 32  1  0  0  0  0
 29 30  1  0  0  0  0
 26 29  1  0  0  0  0
 18 21  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,012)
1078

>  <Formula> (1,012)
C24H26N4O3S

>  <MolWeight> (1,012)
450.55324

>  <Cat> (1,012)
S6508

>  <Name> (1,012)
Mitapivat

>  <Synonyms> (1,012)
AG-348

>  <Target> (1,012)
PKM

>  <Form> (1,012)
free base

>  <CAS> (1,012)
1260075-17-9

>  <URL> (1,012)
http://www.selleck.cn/products/mitapivat.html

$$$$

csChFnd80/09132414022D

 22 22  0  0  0  0  0  0  0  0999 V2000
   10.0012    2.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134    2.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7852    2.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134    4.1906    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4344    2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2141    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7852    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5628    2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134    5.5906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8052    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6052    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4344    0.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5628    0.7057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9989    6.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4157    6.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9989    7.6838    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4157    7.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2058    8.3806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7855    8.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   11.5535    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.5535    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,013)
1080

>  <Formula> (1,013)
C14H19Cl2N3O2S

>  <MolWeight> (1,013)
364.29056

>  <Cat> (1,013)
S6510

>  <Name> (1,013)
Iso-H7 dihydrochloride

>  <Synonyms> (1,013)
N/A

>  <Target> (1,013)
Phosphorylase

>  <Form> (1,013)
dihydrochloride

>  <CAS> (1,013)
140663-38-3

>  <URL> (1,013)
http://www.selleck.cn/products/iso-h7-dihydrochloride.html

$$$$

csChFnd80/09132414022D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.3124    4.2312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    0.7312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    2.1312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    2.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373    2.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    2.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9224    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1620    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1257    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3652    2.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3471    0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  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
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,014)
1081

>  <Formula> (1,014)
C13H19NO2

>  <MolWeight> (1,014)
221.29546

>  <Cat> (1,014)
S6511

>  <Name> (1,014)
RIPA-56

>  <Synonyms> (1,014)
N/A

>  <Target> (1,014)
TNF-alpha

>  <Form> (1,014)
free base

>  <CAS> (1,014)
1956370-21-0

>  <URL> (1,014)
http://www.selleck.cn/products/ripa-56.html

$$$$

csChFnd80/09132414022D

 21 21  0  0  0  0  0  0  0  0999 V2000
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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1356962-34-9

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1952236-05-3

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413599-62-9

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 25 20  1  0  0  0  0
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 33 28  1  0  0  0  0
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 36 40  2  0  0  0  0
M  END
>  <Mol_ID> (1,033)
1103

>  <Formula> (1,033)
C28H28F3N5O4

>  <MolWeight> (1,033)
555.5482296

>  <Cat> (1,033)
S6545

>  <Name> (1,033)
BI-4464

>  <Synonyms> (1,033)
N/A

>  <Target> (1,033)
FAK

>  <Form> (1,033)
free base

>  <CAS> (1,033)
1227948-02-8

>  <URL> (1,033)
http://www.selleck.cn/products/bi-4464.html

$$$$

csChFnd80/09132414022D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,034)
1104

>  <Formula> (1,034)
C22H20N2O3

>  <MolWeight> (1,034)
360.4058

>  <Cat> (1,034)
S6554

>  <Name> (1,034)
ML365

>  <Synonyms> (1,034)
N/A

>  <Target> (1,034)
Potassium Channel

>  <Form> (1,034)
free base

>  <CAS> (1,034)
947914-18-3

>  <URL> (1,034)
http://www.selleck.cn/products/ml365.html

$$$$

csChFnd80/09132414022D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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>  <Mol_ID> (1,035)
1105

>  <Formula> (1,035)
C22H19N3O3

>  <MolWeight> (1,035)
373.40456

>  <Cat> (1,035)
S6567

>  <Name> (1,035)
Src Inhibitor 1

>  <Synonyms> (1,035)
N/A

>  <Target> (1,035)
Src

>  <Form> (1,035)
free base

>  <CAS> (1,035)
179248-59-0

>  <URL> (1,035)
http://www.selleck.cn/products/src-inhibitor-1.html

$$$$

csChFnd80/09132414022D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,036)
1106

>  <Formula> (1,036)
C19H20N4O3

>  <MolWeight> (1,036)
352.3871

>  <Cat> (1,036)
S6571

>  <Name> (1,036)
BQR695

>  <Synonyms> (1,036)
NVP-BQR695

>  <Target> (1,036)
PI4K

>  <Form> (1,036)
free base

>  <CAS> (1,036)
1513879-21-4

>  <URL> (1,036)
http://www.selleck.cn/products/bqr695.html

$$$$

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M  END
>  <Mol_ID> (1,037)
1107

>  <Formula> (1,037)
C22H18ClN5O2

>  <MolWeight> (1,037)
419.86362

>  <Cat> (1,037)
S6574

>  <Name> (1,037)
KDU691

>  <Synonyms> (1,037)
N/A

>  <Target> (1,037)
PI4K

>  <Form> (1,037)
free base

>  <CAS> (1,037)
1513879-19-0

>  <URL> (1,037)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/09132414022D

 32 34  0  0  0  0  0  0  0  0999 V2000
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   10.9119    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
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 29 31  1  0  0  0  0
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M  END
>  <Mol_ID> (1,038)
1108

>  <Formula> (1,038)
C20H25F3N6O3

>  <MolWeight> (1,038)
454.4461096

>  <Cat> (1,038)
S6577

>  <Name> (1,038)
PKC-theta inhibitor

>  <Synonyms> (1,038)
N/A

>  <Target> (1,038)
PKC

>  <Form> (1,038)
free base

>  <CAS> (1,038)
736048-65-0

>  <URL> (1,038)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.3132    0.7282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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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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  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 18 19  1  0  0  0  0
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 18 21  1  0  0  0  0
 14 18  1  0  0  0  0
 11 12  1  0  0  0  0
 10 11  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  3 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,039)
1109

>  <Formula> (1,039)
C16H16F3N5

>  <MolWeight> (1,039)
335.3269496

>  <Cat> (1,039)
S6578

>  <Name> (1,039)
Longdaysin

>  <Synonyms> (1,039)
N/A

>  <Target> (1,039)
Casein Kinase

>  <Form> (1,039)
free base

>  <CAS> (1,039)
1353867-91-0

>  <URL> (1,039)
http://www.selleck.cn/products/longdaysin.html

$$$$

csChFnd80/09132414022D

 33 38  0  0  0  0  0  0  0  0999 V2000
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    5.8488    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 32  1  0  0  0  0
 25 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,040)
1110

>  <Formula> (1,040)
C21H17N9O2S

>  <MolWeight> (1,040)
459.48378

>  <Cat> (1,040)
S8676

>  <Name> (1,040)
Glumetinib

>  <Synonyms> (1,040)
N/A

>  <Target> (1,040)
c-Met

>  <Form> (1,040)
free base

>  <CAS> (1,040)
1642581-63-2

>  <URL> (1,040)
http://www.selleck.cn/products/glumetinib.html

$$$$

csChFnd80/09132414022D

 32 35  0  0  0  0  0  0  0  0999 V2000
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CDK

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free base

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1628256-23-4

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http://www.selleck.cn/products/g1t38.html

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N/A

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ALK

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2137030-98-7

>  <URL> (1,046)
http://www.selleck.cn/products/ensartinib-dihydrochloride.html

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csChFnd80/09132414022D

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N/A

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VEGFR

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Free Base

>  <CAS> (1,047)
1125780-41-7

>  <URL> (1,047)
http://www.selleck.cn/products/sklb610.html

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csChFnd80/09132414022D

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Free Base

>  <CAS> (1,048)
229476-53-3

>  <URL> (1,048)
http://www.selleck.cn/products/ebe-a22.html

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189232-42-6

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1191911-27-9

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P-gp

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Free Base

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108237-91-8

>  <URL> (1,054)
http://www.selleck.cn/products/rcgd423.html

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1126

>  <Formula> (1,055)
C30H32ClN7O2

>  <MolWeight> (1,055)
558.07378

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S6595

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THZ531

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N/A

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CDK

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Free Base

>  <CAS> (1,055)
1702809-17-3

>  <URL> (1,055)
http://www.selleck.cn/products/thz531.html

$$$$

csChFnd80/09132414022D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,056)
1128

>  <Formula> (1,056)
C20H21N5O4

>  <MolWeight> (1,056)
395.41184

>  <Cat> (1,056)
S6598

>  <Name> (1,056)
IRAK-1-4 Inhibitor I

>  <Synonyms> (1,056)
N/A

>  <Target> (1,056)
TLR

>  <Form> (1,056)
Free Base

>  <CAS> (1,056)
509093-47-4

>  <URL> (1,056)
http://www.selleck.cn/products/irak-1-4-inhibitor-i.html

$$$$

csChFnd80/09132414022D

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1129

>  <Formula> (1,057)
C22H21BrCl2N6O

>  <MolWeight> (1,057)
536.25174

>  <Cat> (1,057)
S6619

>  <Name> (1,057)
ABT 702 dihydrochloride

>  <Synonyms> (1,057)
N/A

>  <Target> (1,057)
Adenosine Receptor

>  <Form> (1,057)
Dihydrochloride

>  <CAS> (1,057)
1188890-28-9

>  <URL> (1,057)
http://www.selleck.cn/products/abt-702-dihydrochloride.html

$$$$

csChFnd80/09132414022D

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1438391-30-0

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http://www.selleck.cn/products/cc-401-hydrochloride.html

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950912-80-8

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http://www.selleck.cn/products/pf-670462.html

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Free Base

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929007-72-7

>  <URL> (1,069)
http://www.selleck.cn/products/db07268.html

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38136-70-8

>  <URL> (1,070)
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429653-73-6

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>  <Synonyms> (1,077)
N/A

>  <Target> (1,077)
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Free Base

>  <CAS> (1,077)
1642288-47-8

>  <URL> (1,077)
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1315355-93-1

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    8.4871    6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    5.7924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    6.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    8.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2512    9.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    9.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0532   11.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1164   12.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7470   11.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3144   10.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5490   13.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9184   13.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3511   15.0061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7205   15.2972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4143   16.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1175    1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3299    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5382    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3299    3.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7464    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9546    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1629    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3711    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5793    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3711    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 14 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (1,080)
1154

>  <Formula> (1,080)
C29H34FN5O5

>  <MolWeight> (1,080)
551.6091632

>  <Cat> (1,080)
S8901

>  <Name> (1,080)
DS-6051b

>  <Synonyms> (1,080)
N/A

>  <Target> (1,080)
ROS

>  <Form> (1,080)
Free Base

>  <CAS> (1,080)
1505515-69-4

>  <URL> (1,080)
http://www.selleck.cn/products/ds-6051b.html

$$$$

csChFnd80/09132414022D

 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> (1,081)
1155

>  <Formula> (1,081)
C21H25N3O4

>  <MolWeight> (1,081)
383.4409

>  <Cat> (1,081)
S2184

>  <Name> (1,081)
WDR5-0103

>  <Synonyms> (1,081)
WD-Repeat Protein 5-0103

>  <Target> (1,081)
Histone Methyltransferase

>  <Form> (1,081)
Free Base

>  <CAS> (1,081)
890190-22-4

>  <URL> (1,081)
http://www.selleck.cn/products/wdr5-0103.html

$$$$

csChFnd80/09132414022D

 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> (1,082)
1156

>  <Formula> (1,082)
C18H37NO2

>  <MolWeight> (1,082)
299.49188

>  <Cat> (1,082)
S2210

>  <Name> (1,082)
Sphingosine

>  <Synonyms> (1,082)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (1,082)
Others

>  <Form> (1,082)
Free Base

>  <CAS> (1,082)
123-78-4

>  <URL> (1,082)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/09132414022D

 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> (1,083)
1157

>  <Formula> (1,083)
C23H21N3O2

>  <MolWeight> (1,083)
371.43174

>  <Cat> (1,083)
S2212

>  <Name> (1,083)
AIM-100

>  <Synonyms> (1,083)
N/A

>  <Target> (1,083)
ACK

>  <Form> (1,083)
Free Base

>  <CAS> (1,083)
873305-35-2

>  <URL> (1,083)
http://www.selleck.cn/products/aim-100.html

$$$$

csChFnd80/09132414022D

 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
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M  END
>  <Mol_ID> (1,084)
1158

>  <Formula> (1,084)
C31H34N4O2

>  <MolWeight> (1,084)
494.62726

>  <Cat> (1,084)
S2234

>  <Name> (1,084)
BIBF-0775

>  <Synonyms> (1,084)
N/A

>  <Target> (1,084)
TGF-beta/Smad

>  <Form> (1,084)
Free Base

>  <CAS> (1,084)
334951-90-5

>  <URL> (1,084)
http://www.selleck.cn/products/bibf-0775.html

$$$$

csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,085)
1159

>  <Formula> (1,085)
C17H18ClN5O2

>  <MolWeight> (1,085)
359.81012

>  <Cat> (1,085)
S2249

>  <Name> (1,085)
PF 4800567

>  <Synonyms> (1,085)
N/A

>  <Target> (1,085)
Casein Kinase

>  <Form> (1,085)
Free Base

>  <CAS> (1,085)
1188296-52-7

>  <URL> (1,085)
http://www.selleck.cn/products/pf-4800567.html

$$$$

csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,086)
1160

>  <Formula> (1,086)
C18H18N2O3

>  <MolWeight> (1,086)
310.34712

>  <Cat> (1,086)
S6514

>  <Name> (1,086)
SU5408

>  <Synonyms> (1,086)
VEGFR2 Kinase Inhibitor I 

>  <Target> (1,086)
VEGFR

>  <Form> (1,086)
Free Base

>  <CAS> (1,086)
15966-93-5

>  <URL> (1,086)
http://www.selleck.cn/products/su5408.html

$$$$

csChFnd80/09132414022D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,087)
1162

>  <Formula> (1,087)
C26H21Cl3N8

>  <MolWeight> (1,087)
551.85754

>  <Cat> (1,087)
S6660

>  <Name> (1,087)
B-Raf inhibitor 1 dihydrochlorid

>  <Synonyms> (1,087)
N/A

>  <Target> (1,087)
Raf

>  <Form> (1,087)
Dihydrochloride

>  <CAS> (1,087)
1191385-19-9

>  <URL> (1,087)
http://www.selleck.cn/products/b-raf-inhibitor-1-dihydrochlorid.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,092)
1167

>  <Formula> (1,092)
C26H21F2N5O2S

>  <MolWeight> (1,092)
505.5390464

>  <Cat> (1,092)
S8882

>  <Name> (1,092)
ODM-203

>  <Synonyms> (1,092)
N/A

>  <Target> (1,092)
FGFR

>  <Form> (1,092)
Free Base

>  <CAS> (1,092)
1430723-35-5

>  <URL> (1,092)
http://www.selleck.cn/products/odm-203.html

$$$$

csChFnd80/09132414022D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,093)
1168

>  <Formula> (1,093)
C21H23N4O7PS2

>  <MolWeight> (1,093)
538.533681

>  <Cat> (1,093)
S8927

>  <Name> (1,093)
GSK2983559 (compound 3)

>  <Synonyms> (1,093)
RIP2 kinase inhibitor 1,RIPK2-IN-1

>  <Target> (1,093)
RIP

>  <Form> (1,093)
Free Base

>  <CAS> (1,093)
1579965-12-0

>  <URL> (1,093)
http://www.selleck.cn/products/gsk2983559-compound-3.html

$$$$

csChFnd80/09132414022D

 51 56  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,094)
1169

>  <Formula> (1,094)
C33H40O18

>  <MolWeight> (1,094)
724.6599

>  <Cat> (1,094)
S9096

>  <Name> (1,094)
ligustroflavone

>  <Synonyms> (1,094)
Nuezhenoside

>  <Target> (1,094)
AMPK

>  <Form> (1,094)
Free Base

>  <CAS> (1,094)
260413-62-5

>  <URL> (1,094)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/09132414022D

 60 66  0  0  0  0  0  0  0  0999 V2000
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Calenduloside F

>  <Target> (1,095)
Immunology & Inflammation related

>  <Form> (1,095)
Free Base

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51415-02-2

>  <URL> (1,095)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

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>  <MolWeight> (1,096)
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>  <Cat> (1,096)
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>  <Name> (1,096)
(20S)Ginsenoside Rg2

>  <Synonyms> (1,096)
N/A

>  <Target> (1,096)
Others

>  <Form> (1,096)
Free Base

>  <CAS> (1,096)
52286-74-5

>  <URL> (1,096)
http://www.selleck.cn/products/20s-ginsenoside-rg2.html

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>  <Synonyms> (1,097)
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>  <Target> (1,097)
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Free Base

>  <CAS> (1,097)
20311-51-7

>  <URL> (1,097)
http://www.selleck.cn/products/solamargine.html

$$$$

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1173

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>  <MolWeight> (1,098)
682.66628

>  <Cat> (1,098)
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>  <Name> (1,098)
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>  <Synonyms> (1,098)
N/A

>  <Target> (1,098)
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>  <Form> (1,098)
Free Base

>  <CAS> (1,098)
63902-38-5

>  <URL> (1,098)
http://www.selleck.cn/products/pinoresinol-diglucoside.html

$$$$

csChFnd80/09132414022D

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>  <Formula> (1,099)
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>  <MolWeight> (1,099)
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>  <Synonyms> (1,099)
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>  <Target> (1,099)
Src

>  <Form> (1,099)
Free Base

>  <CAS> (1,099)
882663-88-9

>  <URL> (1,099)
http://www.selleck.cn/products/.html

$$$$

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31842-01-0

>  <URL> (1,100)
http://www.selleck.cn/products/indoprofen.html

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CDK

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2387704-62-1

>  <URL> (1,101)
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csChFnd80/09132414022D

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>  <CAS> (1,102)
2241300-51-4

>  <URL> (1,102)
http://www.selleckchem.com/products/as2863619.html

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>  <CAS> (1,103)
1646839-59-9

>  <URL> (1,103)
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1640294-30-9

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csChFnd80/09132414022D

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csChFnd80/09132414022D

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1888305-96-1

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139298-40-1

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1784751-19-4

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3476-86-6

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M  END
>  <Mol_ID> (1,117)
1193

>  <Formula> (1,117)
C32H39N7O4

>  <MolWeight> (1,117)
585.69656

>  <Cat> (1,117)
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>  <Name> (1,117)
Mobocertinib (TAK788)

>  <Synonyms> (1,117)
AP32788

>  <Target> (1,117)
EGFR

>  <Form> (1,117)
Free Base

>  <CAS> (1,117)
1847461-43-1

>  <URL> (1,117)
http://www.selleckchem.com/products/tak788.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,118)
1194

>  <Formula> (1,118)
C43H46F3N7O7S

>  <MolWeight> (1,118)
861.9282496

>  <Cat> (1,118)
S8888

>  <Name> (1,118)
GMB-475

>  <Synonyms> (1,118)
N/A

>  <Target> (1,118)
PROTAC

>  <Form> (1,118)
Free Base

>  <CAS> (1,118)
no cas

>  <URL> (1,118)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,119)
1195

>  <Formula> (1,119)
C26H27N3O2

>  <MolWeight> (1,119)
413.51148

>  <Cat> (1,119)
S0118

>  <Name> (1,119)
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>  <Synonyms> (1,119)
N/A

>  <Target> (1,119)
PCSK9

>  <Form> (1,119)
Free Base

>  <CAS> (1,119)
1629166-02-4

>  <URL> (1,119)
http://www.selleckchem.com/products/sbc-1107326.html

$$$$

csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
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    4.8498    7.5126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,120)
1196

>  <Formula> (1,120)
C21H18F3N5O

>  <MolWeight> (1,120)
413.3957296

>  <Cat> (1,120)
S0360

>  <Name> (1,120)
EGFR?Inhibitor

>  <Synonyms> (1,120)
N/A

>  <Target> (1,120)
EGFR

>  <Form> (1,120)
Free Base

>  <CAS> (1,120)
879127-07-8

>  <URL> (1,120)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

csChFnd80/09132414022D

 36 39  0  0  0  0  0  0  0  0999 V2000
    4.8455    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,121)
1197

>  <Formula> (1,121)
C26H34N6O3S

>  <MolWeight> (1,121)
510.65156

>  <Cat> (1,121)
S0391

>  <Name> (1,121)
TG-89

>  <Synonyms> (1,121)
N/A

>  <Target> (1,121)
JAK

>  <Form> (1,121)
Free Base

>  <CAS> (1,121)
936091-56-4

>  <URL> (1,121)
http://www.selleckchem.com/products/tg-89.html

$$$$

csChFnd80/09132414022D

 34 37  0  0  0  0  0  0  0  0999 V2000
    3.6374    4.9001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9374    6.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6618   11.4737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    9.8002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873   11.9002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.9002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 31  2  0  0  0  0
 10 34  1  0  0  0  0
 11 14  1  0  0  0  0
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 20 21  2  0  0  0  0
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 27 29  2  0  0  0  0
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 32 33  1  0  0  0  0
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M  END
>  <Mol_ID> (1,122)
1198

>  <Formula> (1,122)
C24H28N6O3S

>  <MolWeight> (1,122)
480.58252

>  <Cat> (1,122)
S0487

>  <Name> (1,122)
Sulfatinib

>  <Synonyms> (1,122)
HMPL-012, Sufatinib, Surfatinib

>  <Target> (1,122)
CSF-1R

>  <Form> (1,122)
Free Base

>  <CAS> (1,122)
1308672-74-3

>  <URL> (1,122)
http://www.selleckchem.com/products/sulfatinib.html

$$$$

csChFnd80/09132414022D

 30 32  0  0  0  0  0  0  0  0999 V2000
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   12.0537    8.4229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16 23  1  0  0  0  0
 10 18  1  0  0  0  0
  5 10  1  0  0  0  0
  3 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,123)
1199

>  <Formula> (1,123)
C20H25ClN6O3

>  <MolWeight> (1,123)
432.9039

>  <Cat> (1,123)
S0500

>  <Name> (1,123)
Purvalanol B

>  <Synonyms> (1,123)
NG 95

>  <Target> (1,123)
CDK

>  <Form> (1,123)
Free Base

>  <CAS> (1,123)
212844-54-7

>  <URL> (1,123)
http://www.selleckchem.com/products/purvalanol-b-ng-95.html

$$$$

csChFnd80/09132414022D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  7 12  2  0  0  0  0
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 10 16  1  0  0  0  0
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,124)
1200

>  <Formula> (1,124)
C14H10BrNOS

>  <MolWeight> (1,124)
320.2043

>  <Cat> (1,124)
S0523

>  <Name> (1,124)
SB?4

>  <Synonyms> (1,124)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (1,124)
TGF-beta/Smad

>  <Form> (1,124)
Free Base

>  <CAS> (1,124)
100874-08-6

>  <URL> (1,124)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/09132414022D

 30 32  0  0  0  0  0  0  0  0999 V2000
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   14.5173    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 15 18  2  0  0  0  0
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 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,125)
1203

>  <Formula> (1,125)
C24H26N2O3S

>  <MolWeight> (1,125)
422.53984

>  <Cat> (1,125)
S6836

>  <Name> (1,125)
TH-257

>  <Synonyms> (1,125)
N/A

>  <Target> (1,125)
LIM kinase

>  <Form> (1,125)
Free Base

>  <CAS> (1,125)
2244678-29-1

>  <URL> (1,125)
http://www.selleckchem.com/products/th-257.html

$$$$

csChFnd80/09132414022D

 29 33  0  0  0  0  0  0  0  0999 V2000
    8.4000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5543    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> (1,126)
1204

>  <Formula> (1,126)
C20H19ClN6O2

>  <MolWeight> (1,126)
410.85686

>  <Cat> (1,126)
S6837

>  <Name> (1,126)
R-10015

>  <Synonyms> (1,126)
N/A

>  <Target> (1,126)
LIM kinase

>  <Form> (1,126)
Free Base

>  <CAS> (1,126)
2097938-51-5

>  <URL> (1,126)
http://www.selleckchem.com/products/r-10015.html

$$$$

csChFnd80/09132414022D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,127)
1205

>  <Formula> (1,127)
C23H26FN5O3

>  <MolWeight> (1,127)
439.4826432

>  <Cat> (1,127)
S6843

>  <Name> (1,127)
Vorolanib

>  <Synonyms> (1,127)
CM082

>  <Target> (1,127)
VEGFR

>  <Form> (1,127)
Free Base

>  <CAS> (1,127)
1013920-15-4

>  <URL> (1,127)
http://www.selleckchem.com/products/vorolanib.html

$$$$

csChFnd80/09132414022D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,128)
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>  <Formula> (1,128)
C24H24N4O5S

>  <MolWeight> (1,128)
480.53616

>  <Cat> (1,128)
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>  <Name> (1,128)
Ki20227

>  <Synonyms> (1,128)
KI-20227

>  <Target> (1,128)
CSF-1R

>  <Form> (1,128)
Free Base

>  <CAS> (1,128)
623142-96-1

>  <URL> (1,128)
http://www.selleckchem.com/products/ki20227.html

$$$$

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>  <Mol_ID> (1,129)
1209

>  <Formula> (1,129)
C30H28O8

>  <MolWeight> (1,129)
516.53852

>  <Cat> (1,129)
S7862

>  <Name> (1,129)
Rottlerin

>  <Synonyms> (1,129)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (1,129)
PKC

>  <Form> (1,129)
Free Base

>  <CAS> (1,129)
82-08-6

>  <URL> (1,129)
http://www.selleckchem.com/products/rottlerin.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,130)
1210

>  <Formula> (1,130)
C31H28ClN7O2

>  <MolWeight> (1,130)
566.05272

>  <Cat> (1,130)
S7969

>  <Name> (1,130)
THZ2

>  <Synonyms> (1,130)
N/A

>  <Target> (1,130)
CDK

>  <Form> (1,130)
Free Base

>  <CAS> (1,130)
1604810-84-5

>  <URL> (1,130)
http://www.selleckchem.com/products/thz2.html

$$$$

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2361493-16-3

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free base

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1513857-77-6

>  <URL> (1,138)
http://www.selleckchem.com/products/pemigatinib-incb054828.html

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LIM kinase

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free base

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1338247-35-0

>  <URL> (1,139)
http://www.selleckchem.com/products/bms-5.html

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>  <Formula> (1,140)
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>  <MolWeight> (1,140)
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DMX-5084

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MAP4K

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free base

>  <CAS> (1,140)
2306178-56-1

>  <URL> (1,140)
http://www.selleckchem.com/products/dmx-5084.html

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csChFnd80/09132414022D

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1055412-47-9

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951151-97-6

>  <URL> (1,142)
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M  END
>  <Mol_ID> (1,143)
1223

>  <Formula> (1,143)
C21H22FN3

>  <MolWeight> (1,143)
335.4178832

>  <Cat> (1,143)
S0378

>  <Name> (1,143)
MBP146-78

>  <Target> (1,143)
PKG

>  <Form> (1,143)
free base

>  <CAS> (1,143)
188343-77-3

>  <URL> (1,143)
http://www.selleckchem.com/products/mbp146-78.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,144)
1226

>  <Formula> (1,144)
C14H10N4O3S

>  <MolWeight> (1,144)
314.3192

>  <Cat> (1,144)
S0458

>  <Name> (1,144)
KY1220

>  <Target> (1,144)
Wnt/beta-catenin

>  <Form> (1,144)
free base

>  <CAS> (1,144)
292168-79-7

>  <URL> (1,144)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,145)
1227

>  <Formula> (1,145)
C19H11ClN3NaO2

>  <MolWeight> (1,145)
371.75231

>  <Cat> (1,145)
S0707

>  <Name> (1,145)
Silmitasertib sodium salt

>  <Target> (1,145)
Casein Kinase

>  <Form> (1,145)
sodium

>  <CAS> (1,145)
1309357-15-0

>  <URL> (1,145)
http://www.selleckchem.com/products/silmitasertib-sodium-salt.html

$$$$

csChFnd80/09132414022D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,146)
1228

>  <Formula> (1,146)
C23H40N2O3

>  <MolWeight> (1,146)
392.5753

>  <Cat> (1,146)
S0752

>  <Name> (1,146)
AUDA

>  <Target> (1,146)
Epoxide Hydrolase

>  <Form> (1,146)
free base

>  <CAS> (1,146)
479413-70-2

>  <URL> (1,146)
http://www.selleckchem.com/products/auda.html

$$$$

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Apilimod mesylate

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Interleukins

>  <Form> (1,147)
mesylate

>  <CAS> (1,147)
870087-36-8

>  <URL> (1,147)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/09132414022D

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302.7142

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S0787

>  <Name> (1,148)
3-Deazaadenosine hydrochloride

>  <Target> (1,148)
TNF-alpha

>  <Form> (1,148)
hydrochloride

>  <CAS> (1,148)
86583-19-9

>  <URL> (1,148)
http://www.selleckchem.com/products/3-deazaadenosine-hydrochloride.html

$$$$

csChFnd80/09132414022D

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C28H29NO6

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S0818

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STAT3-IN-1

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STAT

>  <Form> (1,149)
free base

>  <CAS> (1,149)
2059952-75-7

>  <URL> (1,149)
http://www.selleckchem.com/products/stat3-in-1.html

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csChFnd80/09132414022D

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ULK

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free base

>  <CAS> (1,150)
2101517-69-3

>  <URL> (1,150)
http://www.selleckchem.com/products/bl-918.html

$$$$

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  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 17 21  1  0  0  0  0
 21 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
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 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  1 30  1  1  0  0  0
 10 31  1  1  0  0  0
  9 32  1  1  0  0  0
 12 33  1  1  0  0  0
 21 34  1  1  0  0  0
  2 35  1  6  0  0  0
  5 36  1  6  0  0  0
 11 37  1  6  0  0  0
 17 38  1  6  0  0  0
 21 39  1  6  0  0  0
 16 40  1  6  0  0  0
M  END
>  <Mol_ID> (1,151)
1233

>  <Formula> (1,151)
C30H48O7

>  <MolWeight> (1,151)
520.69792

>  <Cat> (1,151)
S0949

>  <Name> (1,151)
Cucurbitacin IIb

>  <Target> (1,151)
STAT

>  <Form> (1,151)
free base

>  <CAS> (1,151)
50298-90-3

>  <URL> (1,151)
http://www.selleckchem.com/products/curcubitacin-iib.html

$$$$

csChFnd80/09132414022D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    5.5879    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
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  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,152)
1234

>  <Formula> (1,152)
C7H7NO2

>  <MolWeight> (1,152)
137.13598

>  <Cat> (1,152)
S3220

>  <Name> (1,152)
Trigonelline

>  <Target> (1,152)
Phospholipase (e.g. 

>  <Form> (1,152)
free base

>  <CAS> (1,152)
535-83-1

>  <URL> (1,152)
http://www.selleckchem.com/products/trigonelline.html

$$$$

csChFnd80/09132414022D

 13 13  0  0  0  0  0  0  0  0999 V2000
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    3.6374    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  8  2  1  1  0  0  0
  9  3  1  6  0  0  0
 10  4  1  1  0  0  0
 11  5  1  6  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,153)
1235

>  <Formula> (1,153)
C7H14O6

>  <MolWeight> (1,153)
194.18246

>  <Cat> (1,153)
S3223

>  <Name> (1,153)
L-Quebrachitol

>  <Target> (1,153)
TGF-beta/Smad

>  <Form> (1,153)
free base

>  <CAS> (1,153)
642-38-6

>  <URL> (1,153)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/09132414022D

 32 37  0  0  0  0  0  0  0  0999 V2000
    5.2310    4.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6405    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1825    4.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9874    6.0631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    5.1422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4759    5.8422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5563    3.7817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.3125    6.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8126    4.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9405    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6824    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  1  1  1  0  0  0
  9  1  1  1  0  0  0
 13  2  1  1  0  0  0
  2 29  1  0  0  0  0
 26  3  1  1  0  0  0
  4 28  1  0  0  0  0
  4 32  1  0  0  0  0
  5 29  2  0  0  0  0
  6 32  2  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
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  1  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  6  0  0  0
 11 14  1  0  0  0  0
 11 16  1  1  0  0  0
 12 13  1  0  0  0  0
 12 22  1  1  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 14 24  1  1  0  0  0
 15 16  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  6  0  0  0
 21 25  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  2  0  0  0  0
 23 26  1  0  0  0  0
 25 26  1  0  0  0  0
 27 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,154)
1236

>  <Formula> (1,154)
C26H34O6

>  <MolWeight> (1,154)
442.54456

>  <Cat> (1,154)
S3224

>  <Name> (1,154)
Cinobufagin

>  <Target> (1,154)
ATM/ATR

>  <Form> (1,154)
free base

>  <CAS> (1,154)
470-37-1

>  <URL> (1,154)
http://www.selleckchem.com/products/cinobufagin.html

$$$$

csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.1880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3372    3.1732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.8173    3.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  1  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  1  0  0  0
  5  8  1  0  0  0  0
  5 14  1  1  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,155)
1237

>  <Formula> (1,155)
C20H28O2

>  <MolWeight> (1,155)
300.43512

>  <Cat> (1,155)
S3226

>  <Name> (1,155)
Dehydroabietic acid

>  <Target> (1,155)
Anti-infection

>  <Form> (1,155)
free base

>  <CAS> (1,155)
1740-19-8

>  <URL> (1,155)
http://www.selleckchem.com/products/dehydroabietic-acid.html

$$$$

csChFnd80/09132414022D

 28 33  0  0  0  0  0  0  0  0999 V2000
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   12.1826    0.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875    2.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4759    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.5564    0.1442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    3.6048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5079    1.2709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.6826    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  1  1  1  0  0  0
  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
  6 17  1  1  0  0  0
  7  9  1  0  0  0  0
  7 15  1  6  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  1  0  0  0
 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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 12 22  1  1  0  0  0
 13 14  1  0  0  0  0
 15 18  1  0  0  0  0
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 16 21  1  6  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
 23 24  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,156)
1238

>  <Formula> (1,156)
C24H32O4

>  <MolWeight> (1,156)
384.50848

>  <Cat> (1,156)
S3238

>  <Name> (1,156)
Resibufogenin

>  <Target> (1,156)
RIP kinase

>  <Form> (1,156)
free base

>  <CAS> (1,156)
465-39-4

>  <URL> (1,156)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/09132414022D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
  9 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  2  0  0  0  0
 16 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,157)
1239

>  <Formula> (1,157)
C17H18O4

>  <MolWeight> (1,157)
286.32242

>  <Cat> (1,157)
S3241

>  <Name> (1,157)
Loureirin A

>  <Target> (1,157)
Akt

>  <Form> (1,157)
free base

>  <CAS> (1,157)
119425-89-7

>  <URL> (1,157)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/09132414022D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  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
  8 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
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 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,158)
1240

>  <Formula> (1,158)
C18H20O5

>  <MolWeight> (1,158)
316.3484

>  <Cat> (1,158)
S3242

>  <Name> (1,158)
Loureirin B

>  <Target> (1,158)
PAI-1

>  <Form> (1,158)
free base

>  <CAS> (1,158)
119425-90-0

>  <URL> (1,158)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/09132414022D

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 33 34  1  0  0  0  0
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M  END
>  <Mol_ID> (1,159)
1241

>  <Formula> (1,159)
C27H30O15

>  <MolWeight> (1,159)
594.5181

>  <Cat> (1,159)
S3267

>  <Name> (1,159)
Kaempferol-3-O-rutinoside

>  <Target> (1,159)
Apoptosis related

>  <Form> (1,159)
free base

>  <CAS> (1,159)
17650-84-9

>  <URL> (1,159)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/09132414022D

 38 45  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> (1,160)
1242

>  <Formula> (1,160)
C30H16O8

>  <MolWeight> (1,160)
504.44324

>  <Cat> (1,160)
S3273

>  <Name> (1,160)
Hypericin

>  <Target> (1,160)
MAO

>  <Form> (1,160)
free base

>  <CAS> (1,160)
548-04-9

>  <URL> (1,160)
http://www.selleckchem.com/products/hypericin.html

$$$$

csChFnd80/09132414022D

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C12H16O4

>  <MolWeight> (1,161)
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>  <Cat> (1,161)
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>  <Name> (1,161)
Senkyunolide I

>  <Target> (1,161)
ERK

>  <Form> (1,161)
free base

>  <CAS> (1,161)
94596-28-8

>  <URL> (1,161)
http://www.selleckchem.com/products/senkyunolide-i.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,162)
1244

>  <Formula> (1,162)
C27H30O15

>  <MolWeight> (1,162)
594.5181

>  <Cat> (1,162)
S3278

>  <Name> (1,162)
Kaempferol-3-O-neohesperidoside

>  <Target> (1,162)
Carbohydrate Metabol

>  <Form> (1,162)
free base

>  <CAS> (1,162)
32602-81-6

>  <URL> (1,162)
http://www.selleckchem.com/products/kaempferol-3-o-neohesperidoside.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,163)
1245

>  <Formula> (1,163)
C27H34O12

>  <MolWeight> (1,163)
550.55166

>  <Cat> (1,163)
S3284

>  <Name> (1,163)
Tracheloside

>  <Target> (1,163)
phosphatase

>  <Form> (1,163)
free base

>  <CAS> (1,163)
33464-71-0

>  <URL> (1,163)
http://www.selleckchem.com/products/tracheloside.html

$$$$

csChFnd80/09132414022D

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>  <Formula> (1,164)
C19H12O7

>  <MolWeight> (1,164)
352.29438

>  <Cat> (1,164)
S3289

>  <Name> (1,164)
Daphnoretin

>  <Target> (1,164)
PKC

>  <Form> (1,164)
free base

>  <CAS> (1,164)
2034-69-7

>  <URL> (1,164)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/09132414022D

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   17.1552    6.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 11 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  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
 16 19  1  6  0  0  0
M  END
>  <Mol_ID> (1,165)
1247

>  <Formula> (1,165)
C17H24O2

>  <MolWeight> (1,165)
260.37126

>  <Cat> (1,165)
S3292

>  <Name> (1,165)
Falcarindiol

>  <Target> (1,165)
NOS

>  <Form> (1,165)
free base

>  <CAS> (1,165)
225110-25-8

>  <URL> (1,165)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6869    0.0024    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
  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
  2 12  1  0  0  0  0
  7 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
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,166)
1248

>  <Formula> (1,166)
C16H17NO3

>  <MolWeight> (1,166)
271.31108

>  <Cat> (1,166)
S3294

>  <Name> (1,166)
Demethyl-Coclaurine

>  <Target> (1,166)
Adrenergic Receptor

>  <Form> (1,166)
free base

>  <CAS> (1,166)
5843-65-2

>  <URL> (1,166)
http://www.selleckchem.com/products/demethyl-coclaurine.html

$$$$

csChFnd80/09132414022D

 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
    4.1951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8854    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4878    1.2124    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
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  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 13  1  0  0  0  0
 13  8  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 17  1  0  0  0  0
 17 12  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,167)
1249

>  <Formula> (1,167)
C16H12O6

>  <MolWeight> (1,167)
300.26288

>  <Cat> (1,167)
S3296

>  <Name> (1,167)
Hispidulin

>  <Target> (1,167)
Pim

>  <Form> (1,167)
free base

>  <CAS> (1,167)
1447-88-7

>  <URL> (1,167)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/09132414022D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4323    3.2930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4323    1.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6453    1.1969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8242    0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0409    1.2186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0409    2.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    3.3101    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6343    4.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    1.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2193    3.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8645    1.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2155    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9543    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5422    4.5210    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  8  1  0  0  0  0
  1  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
  1 12  1  0  0  0  0
  2  9  2  0  0  0  0
  3 13  1  1  0  0  0
  7 13  1  1  0  0  0
 12 14  2  0  0  0  0
  5 15  1  0  0  0  0
  3 16  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,168)
1250

>  <Formula> (1,168)
C12H16N2O

>  <MolWeight> (1,168)
204.26824

>  <Cat> (1,168)
S3298

>  <Name> (1,168)
Caulophylline (N-Methylcytisine)

>  <Target> (1,168)
AChR

>  <Form> (1,168)
free base

>  <CAS> (1,168)
486-86-2 (63699-79-6, 207-643-8)

>  <URL> (1,168)
http://www.selleckchem.com/products/caulophylline-n-methylcytisine-.html

$$$$

csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  1  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  2  0  0  0  0
 14  8  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 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,169)
1251

>  <Formula> (1,169)
C19H18NO4+

>  <MolWeight> (1,169)
324.35052

>  <Cat> (1,169)
S3299

>  <Name> (1,169)
Demethyleneberberine

>  <Target> (1,169)
Peroxidases

>  <Form> (1,169)
free base

>  <CAS> (1,169)
25459-91-0

>  <URL> (1,169)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/09132414022D

 34 36  0  0  0  0  0  0  0  0999 V2000
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    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
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1252

>  <Formula> (1,170)
C27H33ClN2O4

>  <MolWeight> (1,170)
485.01492

>  <Cat> (1,170)
S6760

>  <Name> (1,170)
LM22B-10

>  <Target> (1,170)
Trk receptor

>  <Form> (1,170)
free base

>  <CAS> (1,170)
342777-54-2

>  <URL> (1,170)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/09132414022D

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1253

>  <Formula> (1,171)
C20H15F3N8

>  <MolWeight> (1,171)
424.3819096

>  <Cat> (1,171)
S6762

>  <Name> (1,171)
Bozitinib (PLB-1001)

>  <Target> (1,171)
c-Met

>  <Form> (1,171)
free base

>  <CAS> (1,171)
1440964-89-5

>  <URL> (1,171)
http://www.selleckchem.com/products/bozitinib.html

$$$$

csChFnd80/09132414022D

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1254

>  <Formula> (1,172)
C27H24N6

>  <MolWeight> (1,172)
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>  <Cat> (1,172)
S6811

>  <Name> (1,172)
Miransertib (ARQ-092)

>  <Target> (1,172)
Akt

>  <Form> (1,172)
free base

>  <CAS> (1,172)
1313881-70-7

>  <URL> (1,172)
http://www.selleckchem.com/products/miransertib.html

$$$$

csChFnd80/09132414022D

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1256

>  <Formula> (1,173)
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>  <Cat> (1,173)
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>  <Name> (1,173)
ML-9 HCl

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Akt

>  <Form> (1,173)
hydrochloride

>  <CAS> (1,173)
105637-50-1

>  <URL> (1,173)
http://www.selleckchem.com/products/ml-9-hcl.html

$$$$

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1617495-03-0

>  <URL> (1,174)
http://www.selleckchem.com/products/ra-190.html

$$$$

csChFnd80/09132414022D

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>  <Formula> (1,175)
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>  <MolWeight> (1,175)
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>  <Name> (1,175)
Alflutinib (AST2818) mesylate

>  <Target> (1,175)
EGFR

>  <Form> (1,175)
mesylate

>  <CAS> (1,175)
1869057-83-9

>  <URL> (1,175)
http://www.selleckchem.com/products/alflutinib-ast2818-.html

$$$$

csChFnd80/09132414022D

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1259

>  <Formula> (1,176)
C31H29FN4O5

>  <MolWeight> (1,176)
556.5841632

>  <Cat> (1,176)
S6870

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Ningetinib

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c-Met

>  <Form> (1,176)
free base

>  <CAS> (1,176)
1394820-69-9

>  <URL> (1,176)
http://www.selleckchem.com/products/ningetinib.html

$$$$

csChFnd80/09132414022D

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111.03195

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S6871

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Sodium oxamate

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LDH

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Sodium

>  <CAS> (1,177)
565-73-1

>  <URL> (1,177)
http://www.selleckchem.com/products/sodium-oxamate.html

$$$$

csChFnd80/09132414022D

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>  <Formula> (1,178)
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>  <MolWeight> (1,178)
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>  <Cat> (1,178)
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>  <Name> (1,178)
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>  <Target> (1,178)
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free base

>  <CAS> (1,178)
2095704-43-9

>  <URL> (1,178)
http://www.selleckchem.com/products/sel201.html

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1613710-01-2

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1181770-72-8

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TACC3

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free base

>  <CAS> (1,187)
2408648-20-2

>  <URL> (1,187)
http://www.selleckchem.com/products/bo-264.html

$$$$

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Serine/threonin kina

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free base

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2222635-15-4

>  <URL> (1,188)
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>  <Formula> (1,189)
C26H25N3O3

>  <MolWeight> (1,189)
427.495

>  <Cat> (1,189)
S9600

>  <Name> (1,189)
Orelabrutinib

>  <Target> (1,189)
BTK

>  <Form> (1,189)
free base

>  <CAS> (1,189)
1655504-04-3

>  <URL> (1,189)
http://www.selleckchem.com/products/orelabrutinib.html

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csChFnd80/09132414022D

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>  <Cat> (1,190)
S9602

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9-ing-41

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GSK-3

>  <Form> (1,190)
free base

>  <CAS> (1,190)
1034895-42-5

>  <URL> (1,190)
http://www.selleckchem.com/products/9-ing-41.html

$$$$

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>  <CAS> (1,191)
1422365-93-2

>  <URL> (1,191)
http://www.selleckchem.com/products/im156.html

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57818-44-7

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M  END
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1283

>  <Formula> (1,196)
C27H27F2N5O3

>  <MolWeight> (1,196)
507.5317864

>  <Cat> (1,196)
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>  <Name> (1,196)
Remibrutinib (LOU064)

>  <Target> (1,196)
BTK

>  <Form> (1,196)
free base

>  <CAS> (1,196)
1787294-07-8

>  <URL> (1,196)
http://www.selleckchem.com/products/remibrutinib-lou064.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,197)
1284

>  <Formula> (1,197)
C28H40N6O

>  <MolWeight> (1,197)
476.6568

>  <Cat> (1,197)
S9662

>  <Name> (1,197)
UNC2025

>  <Target> (1,197)
FLT3

>  <Form> (1,197)
free base

>  <CAS> (1,197)
1429881-91-3

>  <URL> (1,197)
http://www.selleckchem.com/products/unc2025.html

$$$$

csChFnd80/09132414022D

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664334-36-5

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http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

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free base

>  <CAS> (1,199)
1627091-47-7

>  <URL> (1,199)
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  1 31  1  6  0  0  0
  2 32  1  1  0  0  0
  3 34  1  1  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,200)
1287

>  <Formula> (1,200)
C28H26N4O3

>  <MolWeight> (1,200)
466.53104

>  <Cat> (1,200)
S1421

>  <Name> (1,200)
Staurosporine

>  <Synonyms> (1,200)
CGP 41251

>  <Target> (1,200)
PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

>  <Form> (1,200)
Free Base

>  <CAS> (1,200)
62996-74-1

>  <URL> (1,200)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/09132414022D

 46 45  0  0  0  0  0  0  0  0999 V2000
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    3.6500    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> (1,201)
1288

>  <Formula> (1,201)
C45H74O

>  <MolWeight> (1,201)
631.06846

>  <Cat> (1,201)
S2360

>  <Name> (1,201)
Solanesol (Nonaisoprenol)

>  <Synonyms> (1,201)
Nonaisoprenol, Betulanonaprenol

>  <Target> (1,201)
others

>  <Form> (1,201)
Free Base

>  <CAS> (1,201)
13190-97-1

>  <URL> (1,201)
https://www.selleckchem.com/products/solanesol-nonaisoprenol.html

$$$$

csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  6  7  1  0  0  0  0
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  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
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  8 14  1  0  0  0  0
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 15 19  1  0  0  0  0
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 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
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M  END
>  <Mol_ID> (1,202)
1290

>  <Formula> (1,202)
C21H18N2O

>  <MolWeight> (1,202)
314.38042

>  <Cat> (1,202)
S0765

>  <Name> (1,202)
MAZ51

>  <Synonyms> (1,202)
N/A

>  <Target> (1,202)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (1,202)
Free Base

>  <CAS> (1,202)
163655-37-6

>  <URL> (1,202)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/09132414022D

 58 63  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,203)
1291

>  <Formula> (1,203)
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>  <MolWeight> (1,203)
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>  <Cat> (1,203)
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>  <Name> (1,203)
Ginsenoside Rk1

>  <Synonyms> (1,203)
N/A

>  <Target> (1,203)
others

>  <Form> (1,203)
Free Base

>  <CAS> (1,203)
494753-69-4

>  <URL> (1,203)
https://www.selleckchem.com/products/ginsenoside-rk1.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,204)
1292

>  <Formula> (1,204)
C42H66O16

>  <MolWeight> (1,204)
826.96384

>  <Cat> (1,204)
S9216

>  <Name> (1,204)
Esculentoside A

>  <Synonyms> (1,204)
N/A

>  <Target> (1,204)
Immunology & Inflammation related

>  <Form> (1,204)
Free Base

>  <CAS> (1,204)
65497-07-6

>  <URL> (1,204)
https://www.selleckchem.com/products/esculentoside-a.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,205)
1293

>  <Formula> (1,205)
C19H20O5

>  <MolWeight> (1,205)
328.3591

>  <Cat> (1,205)
S9264

>  <Name> (1,205)
Decursin

>  <Synonyms> (1,205)
N/A

>  <Target> (1,205)
Immunology & Inflammation related

>  <Form> (1,205)
Free Base

>  <CAS> (1,205)
5928-25-6

>  <URL> (1,205)
https://www.selleckchem.com/products/decursin.html

$$$$

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M  END
>  <Mol_ID> (1,206)
1294

>  <Formula> (1,206)
C57H92O28

>  <MolWeight> (1,206)
1225.32358

>  <Cat> (1,206)
S9304

>  <Name> (1,206)
Platycodin D

>  <Synonyms> (1,206)
N/A

>  <Target> (1,206)
Immunology & Inflammation related

>  <Form> (1,206)
Free Base

>  <CAS> (1,206)
58479-68-8

>  <URL> (1,206)
https://www.selleckchem.com/products/platycodin-d.html

$$$$

csChFnd80/09132414022D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,207)
1295

>  <Formula> (1,207)
C22H26N2O4

>  <MolWeight> (1,207)
382.45284

>  <Cat> (1,207)
S9306

>  <Name> (1,207)
Corynoxeine

>  <Synonyms> (1,207)
N/A

>  <Target> (1,207)
ERK

>  <Form> (1,207)
Free Base

>  <CAS> (1,207)
630-94-4

>  <URL> (1,207)
https://www.selleckchem.com/products/corynoxeine.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,208)
1296

>  <Formula> (1,208)
C50H83NO21

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1034.18812

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S9444

>  <Name> (1,208)
Tomatine

>  <Synonyms> (1,208)
lycopersicin

>  <Target> (1,208)
Anti-infection

>  <Form> (1,208)
Free Base

>  <CAS> (1,208)
17406-45-0

>  <URL> (1,208)
https://www.selleckchem.com/products/tomatine.html

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csChFnd80/09132414022D

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>  <Mol_ID> (1,209)
1297

>  <Formula> (1,209)
C21H21Cl2N5OS

>  <MolWeight> (1,209)
462.39534

>  <Cat> (1,209)
S0015

>  <Name> (1,209)
WNK-IN-11

>  <Synonyms> (1,209)
N/A

>  <Target> (1,209)
Serine/threonin kinase

>  <Form> (1,209)
Free Base

>  <CAS> (1,209)
2123489-30-3

>  <URL> (1,209)
https://www.selleckchem.com/products/wnk-in-11.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,210)
1298

>  <Formula> (1,210)
C30H37N7O2

>  <MolWeight> (1,210)
527.66048

>  <Cat> (1,210)
S0051

>  <Name> (1,210)
YKL 06-061

>  <Synonyms> (1,210)
N/A

>  <Target> (1,210)
SIK

>  <Form> (1,210)
Free Base

>  <CAS> (1,210)
2172617-15-9

>  <URL> (1,210)
https://www.selleckchem.com/products/ykl-06-061.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,211)
1299

>  <Formula> (1,211)
C23H21N7O

>  <MolWeight> (1,211)
411.45914

>  <Cat> (1,211)
S0067

>  <Name> (1,211)
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>  <Synonyms> (1,211)
ASK1-IN-1

>  <Target> (1,211)
ASK

>  <Form> (1,211)
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>  <CAS> (1,211)
1262041-49-5

>  <URL> (1,211)
https://www.selleckchem.com/products/gs-444217.html

$$$$

csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    4.9448    9.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2 16  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,212)
1300

>  <Formula> (1,212)
C17H13NO2

>  <MolWeight> (1,212)
263.29062

>  <Cat> (1,212)
S0148

>  <Name> (1,212)
HAMNO

>  <Synonyms> (1,212)
NSC-111847

>  <Target> (1,212)
ATM/ATR

>  <Form> (1,212)
Free Base

>  <CAS> (1,212)
138736-73-9

>  <URL> (1,212)
https://www.selleckchem.com/products/nsc111847.html

$$$$

csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.4973    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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  5  8  1  0  0  0  0
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  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
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 14 16  2  0  0  0  0
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 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> (1,213)
1301

>  <Formula> (1,213)
C16H14IN3O2

>  <MolWeight> (1,213)
407.20573

>  <Cat> (1,213)
S0151

>  <Name> (1,213)
AG-1557

>  <Synonyms> (1,213)
N/A

>  <Target> (1,213)
EGFR

>  <Form> (1,213)
Free Base

>  <CAS> (1,213)
189290-58-2

>  <URL> (1,213)
https://www.selleckchem.com/products/ag-1557.html

$$$$

csChFnd80/09132414022D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  2 14  2  0  0  0  0
  3  8  1  0  0  0  0
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  5 14  1  0  0  0  0
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 13 17  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,214)
1302

>  <Formula> (1,214)
C13H11N3OS

>  <MolWeight> (1,214)
257.31094

>  <Cat> (1,214)
S0152

>  <Name> (1,214)
PKG drug G1

>  <Synonyms> (1,214)
N/A

>  <Target> (1,214)
PKG

>  <Form> (1,214)
Free Base

>  <CAS> (1,214)
374703-78-3

>  <URL> (1,214)
https://www.selleckchem.com/products/pkg-drug-g1.html

$$$$

csChFnd80/09132414022D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  5  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,215)
1303

>  <Formula> (1,215)
C16H15FN2O4

>  <MolWeight> (1,215)
318.2997032

>  <Cat> (1,215)
S0153

>  <Name> (1,215)
SJ000291942

>  <Synonyms> (1,215)
N/A

>  <Target> (1,215)
TGF-beta/Smad

>  <Form> (1,215)
Free Base

>  <CAS> (1,215)
425613-09-8

>  <URL> (1,215)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,216)
1304

>  <Formula> (1,216)
C18H15N5O

>  <MolWeight> (1,216)
317.3446

>  <Cat> (1,216)
S0256

>  <Name> (1,216)
Ehp-inhibitor-1

>  <Synonyms> (1,216)
Ehp inhibitor 2

>  <Target> (1,216)
Ephrin receptor

>  <Form> (1,216)
Free Base

>  <CAS> (1,216)
861249-59-4

>  <URL> (1,216)
https://www.selleckchem.com/products/ehp-inhibitor.html

$$$$

csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    5.4894    7.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8593    8.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 19  1  0  0  0  0
  2  7  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 13 14  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
  8  5  2  0  0  0  0
M  END
>  <Mol_ID> (1,217)
1305

>  <Formula> (1,217)
C17H15NO2

>  <MolWeight> (1,217)
265.3065

>  <Cat> (1,217)
S0290

>  <Name> (1,217)
SU5204

>  <Synonyms> (1,217)
N/A

>  <Target> (1,217)
VEGFR. HER2

>  <Form> (1,217)
Free Base

>  <CAS> (1,217)
186611-11-0

>  <URL> (1,217)
https://www.selleckchem.com/products/su5204.html

$$$$

csChFnd80/09132414022D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3 11  2  0  0  0  0
  6  4  1  6  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  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
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,218)
1306

>  <Formula> (1,218)
C13H14N2O3

>  <MolWeight> (1,218)
246.26186

>  <Cat> (1,218)
S0323

>  <Name> (1,218)
Antineoplaston A10

>  <Synonyms> (1,218)
N/A

>  <Target> (1,218)
Ras

>  <Form> (1,218)
Free Base

>  <CAS> (1,218)
91531-30-5

>  <URL> (1,218)
https://www.selleckchem.com/products/antineoplaston-a10.html

$$$$

csChFnd80/09132414022D

 22 25  0  0  0  0  0  0  0  0999 V2000
    8.7886    1.9771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2052    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0918    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058    5.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7339    4.3312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3959    1.2052    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6293    3.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7604    5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2665    3.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5703    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6188    2.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9719    6.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2802    5.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5425    2.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0456    3.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1268    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0959    2.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150    3.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3912    6.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7489    8.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1248    8.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 20  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,219)
1307

>  <Formula> (1,219)
C16H11N3O3

>  <MolWeight> (1,219)
293.27684

>  <Cat> (1,219)
S0354

>  <Name> (1,219)
Alsterpaullone

>  <Synonyms> (1,219)
Alp, 9-Nitropaullone, NSC 705701

>  <Target> (1,219)
CDK. GSK-3. apoptosis related. Caspase

>  <Form> (1,219)
Free Base

>  <CAS> (1,219)
237430-03-4

>  <URL> (1,219)
https://www.selleckchem.com/products/alsterpaullone.html

$$$$

csChFnd80/09132414022D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.5821    2.8486    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9665    6.9153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3254   11.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    9.1486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4353    9.6195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7353   10.8319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    7.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    0.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8276    9.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3969    8.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4984    8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2195    9.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3658   10.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6760    8.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1180    7.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3046   12.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0071    8.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4435   14.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 12  1  0  0  0  0
  3 15  2  0  0  0  0
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  5 33  1  0  0  0  0
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  8 18  1  0  0  0  0
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 10 34  2  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
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 13 14  2  0  0  0  0
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 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 18 21  2  0  0  0  0
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 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 34 37  1  0  0  0  0
 35 39  2  0  0  0  0
 36 40  2  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (1,220)
1308

>  <Formula> (1,220)
C31H29FN4O5

>  <MolWeight> (1,220)
556.5841632

>  <Cat> (1,220)
S0361

>  <Name> (1,220)
AMG-1

>  <Synonyms> (1,220)
c-Met/RON Dual Kinase Inhibitor, RON-IN-1

>  <Target> (1,220)
c-Met

>  <Form> (1,220)
Free Base

>  <CAS> (1,220)
913376-84-8

>  <URL> (1,220)
https://www.selleckchem.com/products/amg-1.html

$$$$

csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8677    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3105    0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1602    0.8330    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  1  0  0  0  0
  4  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
 12 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
 13 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,221)
1309

>  <Formula> (1,221)
C17H16FN5

>  <MolWeight> (1,221)
309.3408432

>  <Cat> (1,221)
S0373

>  <Name> (1,221)
CZC-8004

>  <Synonyms> (1,221)
CZC-00008004

>  <Target> (1,221)
Bcr-Abl

>  <Form> (1,221)
Free Base

>  <CAS> (1,221)
916603-07-1

>  <URL> (1,221)
https://www.selleckchem.com/products/czc-8004.html

$$$$

csChFnd80/09132414022D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    9.6995    2.1000    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
   10.9119    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,222)
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C17H14Cl2N6O

>  <MolWeight> (1,222)
389.23866

>  <Cat> (1,222)
S0384

>  <Name> (1,222)
RO495

>  <Synonyms> (1,222)
CS-2667

>  <Target> (1,222)
JAK

>  <Form> (1,222)
Free Base

>  <CAS> (1,222)
1258296-60-4

>  <URL> (1,222)
https://www.selleckchem.com/products/ro495.html

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csChFnd80/09132414022D

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>  <Mol_ID> (1,223)
1311

>  <Formula> (1,223)
C17H18N4O3S

>  <MolWeight> (1,223)
358.41482

>  <Cat> (1,223)
S0385

>  <Name> (1,223)
S6K-18

>  <Synonyms> (1,223)
N/A

>  <Target> (1,223)
S6 Kinase

>  <Form> (1,223)
Free Base

>  <CAS> (1,223)
1265789-88-5

>  <URL> (1,223)
https://www.selleckchem.com/products/s6k-18.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,224)
1312

>  <Formula> (1,224)
C16H10F2N6O

>  <MolWeight> (1,224)
340.2870064

>  <Cat> (1,224)
S0411

>  <Name> (1,224)
BAM 15

>  <Synonyms> (1,224)
N/A

>  <Target> (1,224)
AMPK. apoptosis related

>  <Form> (1,224)
Free Base

>  <CAS> (1,224)
210302-17-3

>  <URL> (1,224)
https://www.selleckchem.com/products/bam-15.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,225)
1313

>  <Formula> (1,225)
C22H19N3O2S

>  <MolWeight> (1,225)
389.47016

>  <Cat> (1,225)
S0431

>  <Name> (1,225)
ML281

>  <Synonyms> (1,225)
N/A

>  <Target> (1,225)
Serine/threonin kinase

>  <Form> (1,225)
Free Base

>  <CAS> (1,225)
1404437-62-2

>  <URL> (1,225)
https://www.selleckchem.com/products/ml281.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,226)
1314

>  <Formula> (1,226)
C15H12Cl2N4O

>  <MolWeight> (1,226)
335.18798

>  <Cat> (1,226)
S0454

>  <Name> (1,226)
Adjudin

>  <Synonyms> (1,226)
AF-2364

>  <Target> (1,226)
Chloride Channel. NF-¦ÊB. ERK

>  <Form> (1,226)
Free Base

>  <CAS> (1,226)
252025-52-8

>  <URL> (1,226)
https://www.selleckchem.com/products/adjudin.html

$$$$

csChFnd80/09132414022D

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    9.2702    8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
  2 16  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 18  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 22 24  1  0  0  0  0
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 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,227)
1316

>  <Formula> (1,227)
C22H16N2O2

>  <MolWeight> (1,227)
340.37464

>  <Cat> (1,227)
S0775

>  <Name> (1,227)
IRAK4-IN-4

>  <Synonyms> (1,227)
N/A

>  <Target> (1,227)
IRAK, cGAS

>  <Form> (1,227)
Free Base

>  <CAS> (1,227)
1850276-58-2

>  <URL> (1,227)
https://www.selleckchem.com/products/irak4-in-4.html

$$$$

csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    3.7722    5.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
  3 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 12 13  1  0  0  0  0
  1 12  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,228)
1317

>  <Formula> (1,228)
C16H12ClNO

>  <MolWeight> (1,228)
269.72558

>  <Cat> (1,228)
S0780

>  <Name> (1,228)
Oncrasin-1

>  <Synonyms> (1,228)
N/A

>  <Target> (1,228)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (1,228)
Free Base

>  <CAS> (1,228)
75629-57-1

>  <URL> (1,228)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/09132414022D

 26 30  0  0  0  0  0  0  0  0999 V2000
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    4.9449    1.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3 22  2  0  0  0  0
  4  8  2  0  0  0  0
  4 14  1  0  0  0  0
  5 10  2  0  0  0  0
  5 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 18 20  1  0  0  0  0
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 25 26  2  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,229)
1318

>  <Formula> (1,229)
C20H11N3O3

>  <MolWeight> (1,229)
341.31964

>  <Cat> (1,229)
S0781

>  <Name> (1,229)
IQ 3

>  <Synonyms> (1,229)
N/A

>  <Target> (1,229)
JNK. NF-¦ÊB. TNF-¦Á. IL-6

>  <Form> (1,229)
Free Base

>  <CAS> (1,229)
312538-03-7

>  <URL> (1,229)
https://www.selleckchem.com/products/iq-3.html

$$$$

csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
   13.5967    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 11 15  1  0  0  0  0
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 15 19  2  0  0  0  0
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M  END
>  <Mol_ID> (1,230)
1319

>  <Formula> (1,230)
C16H11Cl2N3O2S

>  <MolWeight> (1,230)
380.24844

>  <Cat> (1,230)
S0795

>  <Name> (1,230)
O-304

>  <Synonyms> (1,230)
O-304X

>  <Target> (1,230)
AMPK

>  <Form> (1,230)
Free Base

>  <CAS> (1,230)
1261289-04-6

>  <URL> (1,230)
https://www.selleckchem.com/products/o-304.html

$$$$

csChFnd80/09132414022D

 24 24  0  0  0  0  0  0  0  0999 V2000
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   14.5493    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,231)
1321

>  <Formula> (1,231)
C15H21N3O6

>  <MolWeight> (1,231)
339.34374

>  <Cat> (1,231)
S0827

>  <Name> (1,231)
LM22A-4

>  <Synonyms> (1,231)
LM 22A4

>  <Target> (1,231)
Trk receptor

>  <Form> (1,231)
Free Base

>  <CAS> (1,231)
37988-18-4

>  <URL> (1,231)
https://www.selleckchem.com/products/lm-22a4.html

$$$$

csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2195    0.2653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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C18H13F2NO3

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Mitochonic acid 5

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MA-5

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Mitophagy. MAPK. ERK. Yap

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Free Base

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1354707-41-7

>  <URL> (1,232)
https://www.selleckchem.com/products/mitochonic-acid-5.html

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csChFnd80/09132414022D

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>  <Formula> (1,233)
C15H9NO3

>  <MolWeight> (1,233)
251.23686

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S0890

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MLS000532223

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N/A

>  <Target> (1,233)
Rho

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Free Base

>  <CAS> (1,233)
16616-39-0

>  <URL> (1,233)
https://www.selleckchem.com/products/mls000532223.html

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csChFnd80/09132414022D

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1324

>  <Formula> (1,234)
C19H17N3O

>  <MolWeight> (1,234)
303.35778

>  <Cat> (1,234)
S0977

>  <Name> (1,234)
AC1903

>  <Synonyms> (1,234)
N/A

>  <Target> (1,234)
TRP Channel

>  <Form> (1,234)
Free Base

>  <CAS> (1,234)
831234-13-0

>  <URL> (1,234)
https://www.selleckchem.com/products/ac1903.html

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csChFnd80/09132414022D

 18 19  0  0  0  0  0  0  0  0999 V2000
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C10H16N2O2S4

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324.50624

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S0983

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JX06

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N/A

>  <Target> (1,235)
PDK

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Free Base

>  <CAS> (1,235)
729-46-4

>  <URL> (1,235)
https://www.selleckchem.com/products/jx06.html

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csChFnd80/09132414022D

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1326

>  <Formula> (1,236)
C22H31N9O

>  <MolWeight> (1,236)
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>  <Cat> (1,236)
S1272

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>  <Target> (1,236)
Bcr-Abl. Aurora Kinase. IGF-1R. Src.

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>  <CAS> (1,236)
898280-07-4

>  <URL> (1,236)
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csChFnd80/09132414022D

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    4.8357    2.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573    4.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    6.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    0.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    2.0905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6705    2.7850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    2.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6705    4.1703    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    4.1847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9001    4.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    4.8621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    5.5729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2691    5.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6718    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8704    2.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4089    8.2967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6137    8.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6236   10.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8045    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7895    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    6.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    8.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5695    6.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4501    6.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   10.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   13.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5550   13.2183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 15 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  1  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  6  0  0  0
 11 19  1  0  0  0  0
 19 23  1  6  0  0  0
 15 24  1  1  0  0  0
 24 25  1  0  0  0  0
 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 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 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 33 37  1  0  0  0  0
 35 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
 42 43  2  0  0  0  0
 43 38  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (1,237)
1327

>  <Formula> (1,237)
C29H30O13

>  <MolWeight> (1,237)
586.5407

>  <Cat> (1,237)
S1273

>  <Name> (1,237)
Amarogentin

>  <Synonyms> (1,237)
AG

>  <Target> (1,237)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (1,237)
Free Base

>  <CAS> (1,237)
21018-84-8

>  <URL> (1,237)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/09132414022D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    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
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 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    4.2000    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
    2.4249    0.0000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,238)
1328

>  <Formula> (1,238)
C13H8O3

>  <MolWeight> (1,238)
212.20082

>  <Cat> (1,238)
S1321

>  <Name> (1,238)
Urolithin B

>  <Synonyms> (1,238)
N/A

>  <Target> (1,238)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (1,238)
Free Base

>  <CAS> (1,238)
1139-83-9

>  <URL> (1,238)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.1573    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    4.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,239)
1329

>  <Formula> (1,239)
C16H12O3

>  <MolWeight> (1,239)
252.26468

>  <Cat> (1,239)
S1323

>  <Name> (1,239)
7-Methoxyisoflavone

>  <Synonyms> (1,239)
MIF

>  <Target> (1,239)
AMPK

>  <Form> (1,239)
Free Base

>  <CAS> (1,239)
1621-56-3

>  <URL> (1,239)
https://www.selleckchem.com/products/7-methoxyisoflavone.html

$$$$

csChFnd80/09132414022D

 12  9  0  0  0  0  0  0  0  0999 V2000
   10.7932    1.4389    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4389    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.0781    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5031    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2907    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2284    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4408    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8657    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0781    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6533    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2907    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4408    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  3  1  1  0  0  0
  4 11  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,240)
1330

>  <Formula> (1,240)
C5H6Na2O5

>  <MolWeight> (1,240)
192.07768

>  <Cat> (1,240)
S1325

>  <Name> (1,240)
L-2-Hydroxyglutaric acid disodium

>  <Synonyms> (1,240)
(S)-2-Hydroxyglutaric acid disodium, L-2-Hydroxyglutarate disodium, LG

>  <Target> (1,240)
Histone Demethylase

>  <Form> (1,240)
Disodium

>  <CAS> (1,240)
63512-50-5

>  <URL> (1,240)
https://www.selleckchem.com/products/l-2-hydroxyglutaric-acid-disodium.html

$$$$

csChFnd80/09132414022D

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.2267    2.2209    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   20.6005    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   14.5175    3.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942    3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    1.7946    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8425    5.2902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   24.1863    3.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    3.1918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3632    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0513    5.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    1.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    5.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    5.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7549    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    3.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7900    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    1.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6297    3.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9351    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    5.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    3.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    3.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    3.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    1.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    5.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9385    3.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3123    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1020    3.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3997    3.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1863    5.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    1.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3 27  1  0  0  0  0
  3 33  1  0  0  0  0
  4 28  1  0  0  0  0
  4 34  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  2  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  2  0  0  0  0
  6 18  1  0  0  0  0
  7 13  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 14  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 23  2  0  0  0  0
 11 25  1  0  0  0  0
 12 24  2  0  0  0  0
 12 26  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 20  2  0  0  0  0
 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  2  0  0  0  0
 26 32  2  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  2  0  0  0  0
 28 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,241)
1331

>  <Formula> (1,241)
C30H36Br2N4O2

>  <MolWeight> (1,241)
644.44044

>  <Cat> (1,241)
S2942

>  <Name> (1,241)
EB-3D

>  <Synonyms> (1,241)
N/A

>  <Target> (1,241)
Choline kinase. AMPK. Apoptosis related

>  <Form> (1,241)
Free Base

>  <CAS> (1,241)
1839150-63-8

>  <URL> (1,241)
https://www.selleckchem.com/products/eb-3d.html

$$$$

csChFnd80/09132414022D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.1332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    0.7193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 20  2  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,242)
1332

>  <Formula> (1,242)
C13H17Cl2N3O2S

>  <MolWeight> (1,242)
350.26398

>  <Cat> (1,242)
S2964

>  <Name> (1,242)
HA-100 dihydrochloride

>  <Synonyms> (1,242)
N/A

>  <Target> (1,242)
PKG, PKA, PKC, MLCK

>  <Form> (1,242)
Dihydrochlori

>  <CAS> (1,242)
210297-47-5

>  <URL> (1,242)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/09132414022D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5069    2.3728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    6.8231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2020    1.6194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    4.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    3.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7670    2.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792    5.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    6.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5720    1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0068    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 15  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,243)
1333

>  <Formula> (1,243)
C12H14N2O2

>  <MolWeight> (1,243)
218.25176

>  <Cat> (1,243)
S2985

>  <Name> (1,243)
N-Acetyl-5-hydroxytryptamine

>  <Synonyms> (1,243)
NAS, N-Acetylserotonin, Normelatonin, O-Demethylmelatonin

>  <Target> (1,243)
Trk receptor

>  <Form> (1,243)
Free Base

>  <CAS> (1,243)
1210-83-9

>  <URL> (1,243)
https://www.selleckchem.com/products/n-acetyl-5-hydroxytryptamine.html

$$$$

csChFnd80/09132414022D

  6  5  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,244)
1334

>  <Formula> (1,244)
C3H4O3

>  <MolWeight> (1,244)
88.06206

>  <Cat> (1,244)
S3143

>  <Name> (1,244)
Pyruvic acid

>  <Synonyms> (1,244)
Acetylformic acid

>  <Target> (1,244)
LDH. Casein Kinase. ATPase.

>  <Form> (1,244)
Free Base

>  <CAS> (1,244)
127-17-3

>  <URL> (1,244)
https://www.selleckchem.com/products/pyruvic-acid.html

$$$$

csChFnd80/09132414022D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410    9.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410   10.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5534    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,245)
1335

>  <Formula> (1,245)
C16H30O2

>  <MolWeight> (1,245)
254.4082

>  <Cat> (1,245)
S3341

>  <Name> (1,245)
Palmitoleic acid

>  <Synonyms> (1,245)
POA, Palmitoleate

>  <Target> (1,245)
AMPK

>  <Form> (1,245)
Free Base

>  <CAS> (1,245)
373-49-9

>  <URL> (1,245)
https://www.selleckchem.com/products/palmitoleic-acid.html

$$$$

csChFnd80/09132414022D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    4.6326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.1000    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
   11.0166    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8041    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0166    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2290    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
 10 11  1  0  0  0  0
  8 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
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
  5 14  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  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
 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,246)
1337

>  <Formula> (1,246)
C17H20N6O2S

>  <MolWeight> (1,246)
372.4447

>  <Cat> (1,246)
S6517

>  <Name> (1,246)
GNE-493

>  <Synonyms> (1,246)
N/A

>  <Target> (1,246)
PI3K. mTOR.

>  <Form> (1,246)
Free Base

>  <CAS> (1,246)
1033735-94-2

>  <URL> (1,246)
https://www.selleckchem.com/products/gne-493.html

$$$$

csChFnd80/09132414022D

 35 39  0  0  0  0  0  0  0  0999 V2000
    4.8413   10.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.3878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   10.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2927    0.0000 N   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
    6.0538    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8927    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
    2.4249    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   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
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    4.1951    0.0000 I   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
  3  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
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 15 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 15  1  0  0  0  0
 11 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
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M  END
>  <Mol_ID> (1,247)
1338

>  <Formula> (1,247)
C26H24IN7O

>  <MolWeight> (1,247)
577.41953

>  <Cat> (1,247)
S6912

>  <Name> (1,247)
Vacuolin-1

>  <Synonyms> (1,247)
N/A

>  <Target> (1,247)
PIKfyve. Autophagy

>  <Form> (1,247)
Free Base

>  <CAS> (1,247)
351986-85-1

>  <URL> (1,247)
https://www.selleckchem.com/products/vacuolin-1.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,248)
1339

>  <Formula> (1,248)
C21H19F2NO3

>  <MolWeight> (1,248)
371.3772664

>  <Cat> (1,248)
S6920

>  <Name> (1,248)
SEA0400

>  <Synonyms> (1,248)
N/A

>  <Target> (1,248)
Calcium Channel. Sodium Channel. ERK. p38 MA

>  <Form> (1,248)
Free Base

>  <CAS> (1,248)
223104-29-8

>  <URL> (1,248)
https://www.selleckchem.com/products/sea0400.html

$$$$

csChFnd80/09132414022D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,249)
1340

>  <Formula> (1,249)
C22H27ClN4O5

>  <MolWeight> (1,249)
462.92658

>  <Cat> (1,249)
S6921

>  <Name> (1,249)
Dorzagliatin

>  <Synonyms> (1,249)
HMS-5552, RO-5305552, Sinogliatin

>  <Target> (1,249)
Carbohydrate Metabolism

>  <Form> (1,249)
Free Base

>  <CAS> (1,249)
1191995-00-2

>  <URL> (1,249)
https://www.selleckchem.com/products/dorzagliatin.html

$$$$

csChFnd80/09132414022D

  1  0  0  0  0  0  0  0  0  0999 V2000
  244.4750 -169.8500    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
A    1
No Structure
M  END
>  <Mol_ID> (1,250)
1341

>  <Formula> (1,250)
R

>  <Cat> (1,250)
S6955

>  <Name> (1,250)
Insulin (human)

>  <Synonyms> (1,250)
Insulin regular

>  <Target> (1,250)
IGF-1R

>  <Form> (1,250)
Free Base

>  <CAS> (1,250)
11061-68-0

>  <URL> (1,250)
https://www.selleckchem.com/products/insulin.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,251)
1342

>  <Formula> (1,251)
C40H52N8O10S2

>  <MolWeight> (1,251)
869.01848

>  <Cat> (1,251)
S8979

>  <Name> (1,251)
THAL-SNS-032

>  <Synonyms> (1,251)
N/A

>  <Target> (1,251)
CDK. PROTAC. E3 Ligase

>  <Form> (1,251)
Free Base

>  <CAS> (1,251)
2139287-33-3

>  <URL> (1,251)
https://www.selleckchem.com/products/thal-sns-032.html

$$$$

csChFnd80/09132414022D

 43 47  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,252)
1343

>  <Formula> (1,252)
C32H33ClN8O2

>  <MolWeight> (1,252)
597.10982

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S9643

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>  <Synonyms> (1,252)
N/A

>  <Target> (1,252)
Src

>  <Form> (1,252)
Free Base

>  <CAS> (1,252)
unknown

>  <URL> (1,252)
https://www.selleckchem.com/products/dgy-06-116.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,253)
1344

>  <Formula> (1,253)
C29H36F3N3O8S

>  <MolWeight> (1,253)
643.6716496

>  <Cat> (1,253)
S9698

>  <Name> (1,253)
Ezatiostat

>  <Synonyms> (1,253)
TER199, TLK199, Telintra

>  <Target> (1,253)
Transferase. JNK. ERK. Apoptosis related

>  <Form> (1,253)
Free Base

>  <CAS> (1,253)
168682-53-9

>  <URL> (1,253)
https://www.selleckchem.com/products/ezatiostat.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,254)
1345

>  <Formula> (1,254)
C17H16N4O3

>  <MolWeight> (1,254)
324.33394

>  <Cat> (1,254)
S9701

>  <Name> (1,254)
HS-243

>  <Synonyms> (1,254)
N/A

>  <Target> (1,254)
IRAK

>  <Form> (1,254)
Free Base

>  <CAS> (1,254)
unknown

>  <URL> (1,254)
https://www.selleckchem.com/products/hs-243.html

$$$$

csChFnd80/09132414022D

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2160546-07-4

>  <URL> (1,255)
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C20H12O7

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Pyrogallol phthalein

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PI3K

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Free Base

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2103-64-2

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

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>  <CAS> (1,257)
2140807-05-0

>  <URL> (1,257)
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222716-34-9

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M  END
>  <Mol_ID> (1,259)
1350

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>  <MolWeight> (1,259)
555.65066

>  <Cat> (1,259)
S8948

>  <Name> (1,259)
SRX3207

>  <Synonyms> (1,259)
N/A

>  <Target> (1,259)
Syk

>  <Form> (1,259)
Free Base

>  <CAS> (1,259)
2254693-15-5

>  <URL> (1,259)
http://www.selleckchem.com/products/srx3207.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,260)
1351

>  <Formula> (1,260)
C29H29ClN6O4

>  <MolWeight> (1,260)
561.03136

>  <Cat> (1,260)
S9786

>  <Name> (1,260)
BDTX-189

>  <Synonyms> (1,260)
N/A

>  <Target> (1,260)
EGFR

>  <Form> (1,260)
Free Base

>  <CAS> (1,260)
2414572-47-5

>  <URL> (1,260)
http://www.selleckchem.com/products/bdtx-189.html

$$$$

csChFnd80/09132414022D

 36 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,261)
1352

>  <Formula> (1,261)
C24H27Cl3FN5O3

>  <MolWeight> (1,261)
558.8602832

>  <Cat> (1,261)
S0711

>  <Name> (1,261)
Canertinib dihydrochloride

>  <Synonyms> (1,261)
CI-1033 dihydrochloride, PD-183805 dihydrochloride

>  <Target> (1,261)
EGFR

>  <Form> (1,261)
Dihydrochloride

>  <CAS> (1,261)
289499-45-2

>  <URL> (1,261)
http://www.selleckchem.com/products/canertinib-dihydrochloride.html

$$$$

csChFnd80/09132414022D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,262)
1353

>  <Formula> (1,262)
C24H29N7O2

>  <MolWeight> (1,262)
447.53276

>  <Cat> (1,262)
S4482

>  <Name> (1,262)
Palbociclib

>  <Synonyms> (1,262)
Ibrance, PD 0332991

>  <Target> (1,262)
CDK

>  <Form> (1,262)
Free Base

>  <CAS> (1,262)
571190-30-2

>  <URL> (1,262)
http://www.selleckchem.com/products/palbociclib.html

$$$$

csChFnd80/09132414022D

 19 22  0  0  0  0  0  0  0  0999 V2000
    6.8894    4.1699    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2815    4.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8533    3.0408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8146    2.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6009    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8172    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3922    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3897    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0616    0.2628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0575    2.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6806    5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2524    4.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    3.2084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  9  2  0  0  0  0
  4  6  2  0  0  0  0
 11 12  1  0  0  0  0
 10 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 14 18  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,263)
1354

>  <Formula> (1,263)
C13H8N4OS

>  <MolWeight> (1,263)
268.29382

>  <Cat> (1,263)
S9668

>  <Name> (1,263)
PKR-IN-C16

>  <Synonyms> (1,263)
imoxin, C16, Imidazolo-oxindole PKR inhibitor C16

>  <Target> (1,263)
PKR

>  <Form> (1,263)
Free Base

>  <CAS> (1,263)
608512-97-6

>  <URL> (1,263)
http://www.selleckchem.com/products/pkr-in-c16.html

$$$$

csChFnd80/09132414022D

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.4954    4.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4954    2.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6981    2.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9143    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9143    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7085    0.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    2.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  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
  3  8  1  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
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
  5 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,264)
1355

>  <Formula> (1,264)
C17H15ClO2

>  <MolWeight> (1,264)
286.7528

>  <Cat> (1,264)
S7586

>  <Name> (1,264)
PS-48

>  <Synonyms> (1,264)
N/A

>  <Target> (1,264)
PDK

>  <Form> (1,264)
Free Base

>  <CAS> (1,264)
1180676-32-7

>  <URL> (1,264)
http://www.selleckchem.com/products/ps48.html

$$$$

csChFnd80/09132414022D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4382    2.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506    2.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4382    0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255    2.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8631    2.0920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506    4.1920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2232    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    0.0047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0061    2.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0755    2.7920    0.0000 C   0  0  3  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
    7.3209    2.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0755    4.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5428    2.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9854    1.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3760    6.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 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  1  0  0  0  0
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 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,265)
1356

>  <Formula> (1,265)
C16H22O3

>  <MolWeight> (1,265)
262.34408

>  <Cat> (1,265)
S4572

>  <Name> (1,265)
Homosalate

>  <Synonyms> (1,265)
HMS, Homomenthyl salicylate

>  <Target> (1,265)
PI3K

>  <Form> (1,265)
Free Base

>  <CAS> (1,265)
118-56-9

>  <URL> (1,265)
http://www.selleckchem.com/products/homosalate.html

$$$$

csChFnd80/09132414022D

 41 44  0  0  0  0  0  0  0  0999 V2000
    2.0135    0.0024    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.0257    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8549    0.0023    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3029    2.8459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7236    7.0387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3636    7.0703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5154   13.3266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.4209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5154    4.9411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3029    7.0411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5718    4.9096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8469    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7236   11.2339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9318   13.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 40  1  0  0  0  0
  2 41  1  0  0  0  0
  3 33  1  0  0  0  0
  4 17  2  0  0  0  0
  5 18  2  0  0  0  0
  6 24  2  0  0  0  0
  7 38  2  0  0  0  0
  9 14  1  0  0  0  0
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 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (1,266)
1357

>  <Formula> (1,266)
C28H29FIN5O5S

>  <MolWeight> (1,266)
693.5282332

>  <Cat> (1,266)
S4484

>  <Name> (1,266)
Trametinib DMSO solvate

>  <Synonyms> (1,266)
GSK1120212, JTP-74057, Mekinist

>  <Target> (1,266)
MEK

>  <Form> (1,266)
Free Base

>  <CAS> (1,266)
1187431-43-1

>  <URL> (1,266)
http://www.selleckchem.com/products/trametinib-dmso-solvate.html

$$$$

csChFnd80/09132414022D

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 23 25  1  0  0  0  0
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 27 31  1  0  0  0  0
 27 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <Mol_ID> (1,267)
1358

>  <Formula> (1,267)
C23H31ClN8O

>  <MolWeight> (1,267)
470.99824

>  <Cat> (1,267)
S5187

>  <Name> (1,267)
Ribociclib hydrochloride

>  <Synonyms> (1,267)
LEE011 hydrochloride

>  <Target> (1,267)
CDK

>  <Form> (1,267)
Hydrochloride

>  <CAS> (1,267)
1211443-80-9

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

$$$$

csChFnd80/09132414022D

 31 35  0  0  0  0  0  0  0  0999 V2000
    5.1544    4.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 10 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 10  1  0  0  0  0
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 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 28 30  1  0  0  0  0
 17 31  1  1  0  0  0
M  END
>  <Mol_ID> (1,268)
1359

>  <Formula> (1,268)
C21H22F2N6O2

>  <MolWeight> (1,268)
428.4351864

>  <Cat> (1,268)
S5860

>  <Name> (1,268)
Larotrectinib

>  <Synonyms> (1,268)
Vitrakvi, LOXO-101, ARRY-470

>  <Target> (1,268)
Trk receptor

>  <Form> (1,268)
Free Base

>  <CAS> (1,268)
1223403-58-4

>  <URL> (1,268)
http://www.selleckchem.com/products/larotrectinib.html

$$$$

csChFnd80/09132414022D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 15  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
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 10 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,269)
1360

>  <Formula> (1,269)
C21H19NO5

>  <MolWeight> (1,269)
365.37926

>  <Cat> (1,269)
S0235

>  <Name> (1,269)
Lavendustin B

>  <Synonyms> (1,269)
N/A

>  <Target> (1,269)
Integrase

>  <Form> (1,269)
Free Base

>  <CAS> (1,269)
125697-91-8

>  <URL> (1,269)
http://www.selleckchem.com/products/lavendustin-b.html

$$$$

csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2126    4.1957    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,270)
1361

>  <Formula> (1,270)
C16H13Cl2N3O2

>  <MolWeight> (1,270)
350.19932

>  <Cat> (1,270)
S0374

>  <Name> (1,270)
GDC046

>  <Synonyms> (1,270)
N/A

>  <Target> (1,270)
JAK

>  <Form> (1,270)
Free Base

>  <CAS> (1,270)
1258292-64-6

>  <URL> (1,270)
http://www.selleckchem.com/products/gdc046.html

$$$$

csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 11 13  2  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,271)
1362

>  <Formula> (1,271)
C19H18FN3O2

>  <MolWeight> (1,271)
339.3635232

>  <Cat> (1,271)
S0995

>  <Name> (1,271)
BioE-1115

>  <Synonyms> (1,271)
N/A

>  <Target> (1,271)
Serine/threonin kinase

>  <Form> (1,271)
Free Base

>  <CAS> (1,271)
1268863-35-9

>  <URL> (1,271)
http://www.selleckchem.com/products/bioe-1115.html

$$$$

csChFnd80/09132414022D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   16.1742    6.2840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8048    2.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8664    2.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6480    4.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9349    5.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4978    4.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9227    4.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2854    3.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7103    3.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4978    5.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7103    6.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4428    4.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4428    5.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 17  2  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
 12  4  1  6  0  0  0
  5  6  1  0  0  0  0
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  7 21  2  0  0  0  0
  7 27  1  0  0  0  0
  8 24  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 14  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,272)
1363

>  <Formula> (1,272)
C20H19ClN6O

>  <MolWeight> (1,272)
394.85746

>  <Cat> (1,272)
S8988

>  <Name> (1,272)
Rhosin hydrochloride

>  <Synonyms> (1,272)
G04 hydrochloride, Rhosin HCl

>  <Target> (1,272)
Rho

>  <Form> (1,272)
Hydrochloride

>  <CAS> (1,272)
1281870-42-5

>  <URL> (1,272)
http://www.selleckchem.com/products/rhosin-hydrochloride.html

$$$$

csChFnd80/09132414022D

 40 43  0  0  0  0  0  0  0  0999 V2000
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   12.2368    7.0412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    6.7677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1539    9.3803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    8.8678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.5678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.7677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.9678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.7677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6718    5.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8508    4.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0041    5.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6757    3.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 25  1  0  0  0  0
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 13 33  2  0  0  0  0
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 26 28  1  0  0  0  0
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 32 34  1  0  0  0  0
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 33 36  1  0  0  0  0
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 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,273)
1364

>  <Formula> (1,273)
C27H36N8O5

>  <MolWeight> (1,273)
552.62534

>  <Cat> (1,273)
S5188

>  <Name> (1,273)
Ribociclib succinate

>  <Synonyms> (1,273)
LEE011 succinate, Kisqali

>  <Target> (1,273)
CDK

>  <Form> (1,273)
Succinate

>  <CAS> (1,273)
1374639-75-4

>  <URL> (1,273)
http://www.selleckchem.com/products/ribociclib-succinate.html

$$$$

csChFnd80/09132414022D

 40 41  0  0  0  0  0  0  0  0999 V2000
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   12.1244    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (1,274)
1365

>  <Formula> (1,274)
C28H38Cl3N5O3S

>  <MolWeight> (1,274)
631.05702

>  <Cat> (1,274)
S4967

>  <Name> (1,274)
Ceritinib dihydrochloride

>  <Synonyms> (1,274)
Zykadia, LDK378 dihydrochloride

>  <Target> (1,274)
ALK

>  <Form> (1,274)
Dihydrochloride

>  <CAS> (1,274)
1380575-43-8

>  <URL> (1,274)
http://www.selleckchem.com/products/ceritinib-dihydrochloride.html

$$$$

csChFnd80/09132414022D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 23  5  1  6  0  0  0
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 10 24  1  0  0  0  0
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 27 29  2  0  0  0  0
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 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,275)
1366

>  <Formula> (1,275)
C21H23Cl3FN5O

>  <MolWeight> (1,275)
486.7976232

>  <Cat> (1,275)
S5190

>  <Name> (1,275)
Crizotinib hydrochloride

>  <Synonyms> (1,275)
Xalkori, PF-02341066 hydrochloride

>  <Target> (1,275)
c-Met

>  <Form> (1,275)
Hydrochloride

>  <CAS> (1,275)
1415560-69-8

>  <URL> (1,275)
http://www.selleckchem.com/products/crizotinib-hydrochloride.html

$$$$

csChFnd80/09132414022D

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 21 24  1  0  0  0  0
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 11 12  1  0  0  0  0
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 25 26  1  0  0  0  0
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 33 34  1  0  0  0  0
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M  END
>  <Mol_ID> (1,276)
1367

>  <Formula> (1,276)
C32H37N7O3

>  <MolWeight> (1,276)
567.68128

>  <Cat> (1,276)
S8393

>  <Name> (1,276)
HG-9-91-01

>  <Synonyms> (1,276)
SIK inhibitor 1

>  <Target> (1,276)
SIK

>  <Form> (1,276)
Free Base

>  <CAS> (1,276)
1456858-58-4

>  <URL> (1,276)
http://www.selleckchem.com/products/hg-9-91-01.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,277)
1368

>  <Formula> (1,277)
C31H40N8O3S

>  <MolWeight> (1,277)
604.7661

>  <Cat> (1,277)
S8917

>  <Name> (1,277)
ME-401

>  <Synonyms> (1,277)
PWT-143, P110¦Ä-IN-1

>  <Target> (1,277)
PI3K

>  <Form> (1,277)
Free Base

>  <CAS> (1,277)
1595129-71-7

>  <URL> (1,277)
http://www.selleckchem.com/products/me-401.html

$$$$

csChFnd80/09132414022D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,278)
1369

>  <Formula> (1,278)
C23H25N9O

>  <MolWeight> (1,278)
443.5043

>  <Cat> (1,278)
S9715

>  <Name> (1,278)
Lanraplenib (GS-9876)

>  <Synonyms> (1,278)
GS-SYK

>  <Target> (1,278)
Syk

>  <Form> (1,278)
Free Base

>  <CAS> (1,278)
1800046-95-0

>  <URL> (1,278)
http://www.selleckchem.com/products/lanraplenib.html

$$$$

csChFnd80/09132414022D

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N/A

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ATM/ATR

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Free Base

>  <CAS> (1,279)
1876467-74-1

>  <URL> (1,279)
http://www.selleckchem.com/products/elimusertib-bay-1895344-.html

$$$$

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1371

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C32H34ClN7O3

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600.11046

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S9646

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YKL-05-099

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N/A

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SIK

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Free Base

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1936529-65-5

>  <URL> (1,280)
http://www.selleckchem.com/products/ykl-05-099.html

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csChFnd80/09132414022D

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1372

>  <Formula> (1,281)
C4H11N5

>  <MolWeight> (1,281)
129.16364

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S5958

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1,1-Dimethylbiguanide

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AMPK

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657-24-9

>  <URL> (1,281)
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>  <Mol_ID> (1,282)
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>  <MolWeight> (1,282)
357.3175

>  <Cat> (1,282)
S4842

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Balsalazide

>  <Synonyms> (1,282)
Colazal, Giazo

>  <Target> (1,282)
Immunology & Inflammation related

>  <Form> (1,282)
Free Base

>  <CAS> (1,282)
80573-04-2

>  <URL> (1,282)
http://www.selleckchem.com/products/balsalazide.html

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 29 30  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (1,283)
1374

>  <Formula> (1,283)
C21H16Cl2F4N4O3

>  <MolWeight> (1,283)
519.2763528

>  <Cat> (1,283)
S4947

>  <Name> (1,283)
Regorafenib Hydrochloride

>  <Synonyms> (1,283)
Stivarga, BAY 73-4506 hydrochloride

>  <Target> (1,283)
VEGFR

>  <Form> (1,283)
Hydrochloride

>  <CAS> (1,283)
835621-07-3

>  <URL> (1,283)
http://www.selleckchem.com/products/regorafenib-hydrochloride.html

$$$$

csChFnd80/09132414022D

 19 22  0  0  0  0  0  0  0  0999 V2000
    3.7497    2.5266    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3490    3.8575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7497    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  1  0  0  0  0
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  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,284)
1375

>  <Formula> (1,284)
C14H13N3OS

>  <MolWeight> (1,284)
271.33752

>  <Cat> (1,284)
S0981

>  <Name> (1,284)
BD750

>  <Synonyms> (1,284)
N/A

>  <Target> (1,284)
JAK

>  <Form> (1,284)
Free Base

>  <CAS> (1,284)
892686-59-8

>  <URL> (1,284)
http://www.selleckchem.com/products/bd750.html

$$$$

csChFnd80/09132414022D

 48 43  0  0  0  0  0  0  0  0999 V2000
   17.0439    1.3953    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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  4 37  1  0  0  0  0
  5 26  1  0  0  0  0
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 30 31  2  0  0  0  0
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 33 35  2  0  0  0  0
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 36 37  1  0  0  0  0
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 40 41  2  0  0  0  0
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 41 44  1  0  0  0  0
 42 43  2  0  0  0  0
 43 45  1  0  0  0  0
 44 45  2  0  0  0  0
M  END
>  <Mol_ID> (1,285)
1376

>  <Formula> (1,285)
C23H36FN6Na2O15P

>  <MolWeight> (1,285)
732.5148442

>  <Cat> (1,285)
S4944

>  <Name> (1,285)
Fostamatinib disodium hexahydrate

>  <Synonyms> (1,285)
Tavalisse, R788 disodium hexahydrate, Tamatinib Fosdium hexahydrate

>  <Target> (1,285)
Syk

>  <Form> (1,285)
Disodium hexahydrate

>  <CAS> (1,285)
914295-16-2

>  <URL> (1,285)
http://www.selleckchem.com/products/fostamatinib-disodium-hexahydrate.html

$$$$

csChFnd80/09132414022D

 41 43  0  0  0  0  0  0  0  0999 V2000
   10.9474   11.1516    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5124    9.6124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9911    8.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   12.6001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374   14.7544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,286)
1377

>  <Formula> (1,286)
C28H25ClF3N7O2

>  <MolWeight> (1,286)
583.9920096

>  <Cat> (1,286)
S4895

>  <Name> (1,286)
Nilotinib hydrochloride monohydrate

>  <Synonyms> (1,286)
Tasigna, AMN-107 hydrochloride monohydrate

>  <Target> (1,286)
Bcr-Abl

>  <Form> (1,286)
Hydrochloride monohydrate

>  <CAS> (1,286)
923288-90-8

>  <URL> (1,286)
http://www.selleckchem.com/products/nilotinib-hydrochloride-monohydrate.html

$$$$

csChFnd80/09132414022D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <Cat> (1,287)
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>  <Name> (1,287)
DCPIB

>  <Synonyms> (1,287)
N/A

>  <Target> (1,287)
Potassium Channel

>  <Form> (1,287)
Free Base

>  <CAS> (1,287)
82749-70-0

>  <URL> (1,287)
http://www.selleckchem.com/products/dcpib.html

$$$$

csChFnd80/09132414022D

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M  END
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1379

>  <Formula> (1,288)
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>  <MolWeight> (1,288)
510.027161

>  <Cat> (1,288)
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>  <Name> (1,288)
Mito-TEMPO

>  <Synonyms> (1,288)
N/A

>  <Target> (1,288)
RIP kinase

>  <Form> (1,288)
Free Base

>  <CAS> (1,288)
1334850-99-5

>  <URL> (1,288)
http://www.selleckchem.com/products/mito-tempo.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,289)
1380

>  <Formula> (1,289)
C24H25N7O5

>  <MolWeight> (1,289)
491.4992

>  <Cat> (1,289)
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>  <Name> (1,289)
Emavusertib (CA-4948)

>  <Synonyms> (1,289)
N/A

>  <Target> (1,289)
IRAK

>  <Form> (1,289)
Free Base

>  <CAS> (1,289)
1801344-14-8

>  <URL> (1,289)
http://www.selleckchem.com/products/ca-4948.html

$$$$

csChFnd80/09132414022D

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1381

>  <Formula> (1,290)
C25H20N6O3

>  <MolWeight> (1,290)
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>  <Cat> (1,290)
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>  <Name> (1,290)
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>  <Synonyms> (1,290)
N/A

>  <Target> (1,290)
IRAK

>  <Form> (1,290)
Free Base

>  <CAS> (1,290)
2227368-54-7

>  <URL> (1,290)
http://www.selleckchem.com/products/jh-x-119-01.html

$$$$

csChFnd80/09132414022D

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 25  5  1  0  0  0  0
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 12  6  1  0  0  0  0
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 32  9  1  0  0  0  0
  2 17  1  0  0  0  0
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 19 18  1  0  0  0  0
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 27 16  1  0  0  0  0
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M  END
>  <Mol_ID> (1,291)
1382

>  <Formula> (1,291)
C30H26O10

>  <MolWeight> (1,291)
546.52144

>  <Cat> (1,291)
E0010

>  <Name> (1,291)
Hypocrellin A

>  <Synonyms> (1,291)
N/A

>  <Target> (1,291)
PKC

>  <Form> (1,291)
Free Base

>  <CAS> (1,291)
77029-83-5

>  <URL> (1,291)
http://www.selleckchem.com/products/hypocrellin-a.html

$$$$

csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,292)
1383

>  <Formula> (1,292)
C15H16O3

>  <MolWeight> (1,292)
244.28574

>  <Cat> (1,292)
E0011

>  <Name> (1,292)
Linderalactone

>  <Synonyms> (1,292)
N/A

>  <Target> (1,292)
Bcl-2

>  <Form> (1,292)
Free Base

>  <CAS> (1,292)
728-61-0

>  <URL> (1,292)
http://www.selleckchem.com/products/linderalactone.html

$$$$

csChFnd80/09132414022D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,293)
1384

>  <Formula> (1,293)
C30H48O

>  <MolWeight> (1,293)
424.70152

>  <Cat> (1,293)
E0020

>  <Name> (1,293)
Lupenone

>  <Synonyms> (1,293)
Lup-20(29)-en-3-one, lupeone

>  <Target> (1,293)
Immunology & Inflammation related

>  <Form> (1,293)
Free Base

>  <CAS> (1,293)
1617-70-5

>  <URL> (1,293)
http://www.selleckchem.com/products/lupenone.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,294)
1385

>  <Formula> (1,294)
C44H70O16

>  <MolWeight> (1,294)
855.017

>  <Cat> (1,294)
E0022

>  <Name> (1,294)
Ophiopogonin D

>  <Synonyms> (1,294)
OJV-VI, Deacetylophiopogonin C

>  <Target> (1,294)
AMPK

>  <Form> (1,294)
Free Base

>  <CAS> (1,294)
945619-74-9

>  <URL> (1,294)
http://www.selleckchem.com/products/ophiopogonin-d.html

$$$$

csChFnd80/09132414022D

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1386

>  <Formula> (1,295)
C90H154N30O17

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1928.37656

>  <Cat> (1,295)
P1083

>  <Name> (1,295)
ZIP

>  <Synonyms> (1,295)
N/A

>  <Target> (1,295)
PKM

>  <Form> (1,295)
Free Base

>  <CAS> (1,295)
863987-12-6

>  <URL> (1,295)
http://www.selleckchem.com/peptide/ZIP.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,296)
1387

>  <Formula> (1,296)
C32H29NO5

>  <MolWeight> (1,296)
507.57636

>  <Cat> (1,296)
S0326

>  <Name> (1,296)
Olodanrigan (EMA401)

>  <Synonyms> (1,296)
PD-126055, (S) PD-126055

>  <Target> (1,296)
Angiotensin Receptor

>  <Form> (1,296)
Free Base

>  <CAS> (1,296)
1316755-16-4

>  <URL> (1,296)
http://www.selleckchem.com/products/ema401.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,297)
1388

>  <Formula> (1,297)
C24H15F2N3

>  <MolWeight> (1,297)
383.3928064

>  <Cat> (1,297)
S0350

>  <Name> (1,297)
CK1-IN-1

>  <Synonyms> (1,297)
PUN51207, Compound 1C

>  <Target> (1,297)
Casein Kinase

>  <Form> (1,297)
Free Base

>  <CAS> (1,297)
1784751-20-7

>  <URL> (1,297)
http://www.selleckchem.com/products/ck1-in-1.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,298)
1389

>  <Formula> (1,298)
C20H13N3O2

>  <MolWeight> (1,298)
327.33612

>  <Cat> (1,298)
S0754

>  <Name> (1,298)
Bisindolylmaleimide IV

>  <Synonyms> (1,298)
Arcyriarubin A, BIM IV, Compound 5/1a

>  <Target> (1,298)
CMV

>  <Form> (1,298)
Free Base

>  <CAS> (1,298)
119139-23-0

>  <URL> (1,298)
http://www.selleckchem.com/products/bisindolylmaleimide-iv.html

$$$$

csChFnd80/09132414022D

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24418-86-8

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796888-12-5

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1884222-74-5

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1198300-79-6

>  <URL> (1,302)
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   13.0813    6.7270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6813    9.1518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5937    8.6394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3541    6.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    6.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1005    3.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7975    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5064    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1346    1.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5469    0.0000    0.0000 Br  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  1  0  0  0  0
 11 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  1  0  0  0  0
 18 22  1  0  0  0  0
 13 16  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
 27 30  1  0  0  0  0
 15 24  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,304)
1395

>  <Formula> (1,304)
C22H20BrN3O3S

>  <MolWeight> (1,304)
486.3815

>  <Cat> (1,304)
S6000

>  <Name> (1,304)
CID44216842

>  <Synonyms> (1,304)
Cdc42-IN-1

>  <Target> (1,304)
Rho

>  <Form> (1,304)
Free Base

>  <CAS> (1,304)
1222513-26-9

>  <URL> (1,304)
http://www.selleckchem.com/products/cid44216842.html

$$$$

csChFnd80/09132414022D

 27 31  0  0  0  0  0  0  0  0999 V2000
   13.5530    4.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3407    2.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1282    3.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1282    4.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3407    5.6957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8846    3.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7075    4.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8846    5.4284    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    5.6957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    2.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3407    1.4957    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  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  7  2  1  0  0  0  0
  5 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 14  2  0  0  0  0
 16 13  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 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
 18 20  1  0  0  0  0
  4 11  1  0  0  0  0
  3 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,305)
1396

>  <Formula> (1,305)
C19H20N6OS

>  <MolWeight> (1,305)
380.4667

>  <Cat> (1,305)
S6060

>  <Name> (1,305)
HPK1-IN-2

>  <Synonyms> (1,305)
N/A

>  <Target> (1,305)
Serine/threonin kinase

>  <Form> (1,305)
Free Base

>  <CAS> (1,305)
2056122-11-1

>  <URL> (1,305)
http://www.selleckchem.com/products/hpk1-in-2.html

$$$$

csChFnd80/09132414022D

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.4011    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2668    2.3559    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4668    2.3559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4668    4.7808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4898    3.4886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4898    1.2233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668    4.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4594    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4594    6.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    3.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    6.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8212    3.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6668    2.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8212    1.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 14  2  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 17  2  0  0  0  0
  6 18  1  0  0  0  0
  7  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
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,306)
1397

>  <Formula> (1,306)
C12H22ClN3OS

>  <MolWeight> (1,306)
291.84058

>  <Cat> (1,306)
S6078

>  <Name> (1,306)
ICCB-19 hydrochloride

>  <Synonyms> (1,306)
N/A

>  <Target> (1,306)
RIP kinase

>  <Form> (1,306)
Hydrochloride

>  <CAS> (1,306)
1803605-68-6

>  <URL> (1,306)
http://www.selleckchem.com/products/iccb-19-hydrochloride.html

$$$$

csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1792    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4800    3.7717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7218    4.2841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800    4.9841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    2.5266    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
    5.3971    3.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4 24  1  0  0  0  0
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  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  2  0  0  0  0
 10 13  1  0  0  0  0
 11 17  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 21  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,307)
1398

>  <Formula> (1,307)
C17H11Cl2N3O2

>  <MolWeight> (1,307)
360.19414

>  <Cat> (1,307)
S6085

>  <Name> (1,307)
KY19382 (A3051)

>  <Synonyms> (1,307)
N/A

>  <Target> (1,307)
GSK-3

>  <Form> (1,307)
Free Base

>  <CAS> (1,307)
2226664-93-1

>  <URL> (1,307)
http://www.selleckchem.com/products/ky19382-a3051.html

$$$$

csChFnd80/09132414022D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.4000   12.0673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.1269    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9269    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5269    5.6484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2269    8.7154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2593    0.7193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7883    6.2559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2655    6.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0998    7.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540    7.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3145    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9747    4.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 22  2  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,308)
1399

>  <Formula> (1,308)
C16H23Cl2N3O2S

>  <MolWeight> (1,308)
392.34372

>  <Cat> (1,308)
S6214

>  <Name> (1,308)
H-1152 dihydrochloride

>  <Synonyms> (1,308)
H-1152 2HCl

>  <Target> (1,308)
Aurora Kinase

>  <Form> (1,308)
Dihydrochloride

>  <CAS> (1,308)
871543-07-6

>  <URL> (1,308)
http://www.selleckchem.com/products/h-1152-dihydrochloride.html

$$$$

csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
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  3  7  2  0  0  0  0
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 13 14  1  0  0  0  0
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 21 22  2  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,309)
1400

>  <Formula> (1,309)
C20H21N5

>  <MolWeight> (1,309)
331.41424

>  <Cat> (1,309)
S6383

>  <Name> (1,309)
1-NM-PP1

>  <Synonyms> (1,309)
PP1 Analog II, 1NM-PP1

>  <Target> (1,309)
Src

>  <Form> (1,309)
Free Base

>  <CAS> (1,309)
221244-14-0

>  <URL> (1,309)
http://www.selleckchem.com/products/1-nm-pp1.html

$$$$

csChFnd80/09132414022D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  1  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
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  4 18  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  1  0  0  0
 11 13  1  0  0  0  0
 14 15  2  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,310)
1401

>  <Formula> (1,310)
C14H21N3O

>  <MolWeight> (1,310)
247.33604

>  <Cat> (1,310)
S6390

>  <Name> (1,310)
Y-27632

>  <Synonyms> (1,310)
N/A

>  <Target> (1,310)
ROCK

>  <Form> (1,310)
Free Base

>  <CAS> (1,310)
146986-50-7

>  <URL> (1,310)
http://www.selleckchem.com/products/y-27632.html

$$$$

csChFnd80/09132414022D

 43 47  0  0  0  0  0  0  0  0999 V2000
   13.1188    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9064    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3313    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2691    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0566   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
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 16 19  1  0  0  0  0
 11 14  1  0  0  0  0
 10 11  1  0  0  0  0
  4 10  1  0  0  0  0
  5 24  1  0  0  0  0
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 29 30  1  0  0  0  0
 25 30  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 27 31  1  0  0  0  0
 36 37  1  0  0  0  0
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 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
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 36 41  1  0  0  0  0
 42 43  1  0  0  0  0
 39 42  1  0  0  0  0
 35 36  1  0  0  0  0
 28 35  1  0  0  0  0
  9 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,311)
1402

>  <Formula> (1,311)
C32H32F3N5O2S

>  <MolWeight> (1,311)
607.6889896

>  <Cat> (1,311)
S6515

>  <Name> (1,311)
ALW II-41-27

>  <Synonyms> (1,311)
N/A

>  <Target> (1,311)
Ephrin receptor

>  <Form> (1,311)
Free Base

>  <CAS> (1,311)
1186206-79-0

>  <URL> (1,311)
http://www.selleckchem.com/products/alw-ii-41-27.html

$$$$

csChFnd80/09132414022D

 23 26  0  0  0  0  0  0  0  0999 V2000
    9.7027    1.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1489    7.2170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0059    0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21  5  1  0  0  0  0
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 12 18  1  0  0  0  0
 22  6  1  0  0  0  0
 20 14  1  0  0  0  0
 14 15  1  0  0  0  0
 19  7  2  0  0  0  0
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  8 21  1  0  0  0  0
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  6 16  1  0  0  0  0
 16  9  2  0  0  0  0
 22 10  1  0  0  0  0
 14 21  2  0  0  0  0
  4 13  1  0  0  0  0
 17  4  1  0  0  0  0
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 23 20  2  0  0  0  0
 20 13  1  0  0  0  0
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M  END
>  <Mol_ID> (1,312)
1403

>  <Formula> (1,312)
C20H22N2O

>  <MolWeight> (1,312)
306.40148

>  <Cat> (1,312)
S6875

>  <Name> (1,312)
CASIN

>  <Synonyms> (1,312)
Pirl1-related Compound 2

>  <Target> (1,312)
Rho

>  <Form> (1,312)
Free Base

>  <CAS> (1,312)
425399-05-9

>  <URL> (1,312)
http://www.selleckchem.com/products/casin.html

$$$$

csChFnd80/09132414022D

 36 39  0  0  0  0  0  0  0  0999 V2000
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CDK

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2326428-25-3

>  <URL> (1,313)
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csChFnd80/09132414022D

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C21H16N4O

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S6930

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MK2 Inhibitor III

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MK2-IN-3

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MAPKAPK2

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Free Base

>  <CAS> (1,314)
724711-21-1

>  <URL> (1,314)
http://www.selleckchem.com/products/mk2-inhibitor-iii.html

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csChFnd80/09132414022D

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Kinesin

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>  <CAS> (1,315)
1644443-92-4

>  <URL> (1,315)
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M  END
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C41H41N9O8

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MT-802

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N/A

>  <Target> (1,316)
BTK

>  <Form> (1,316)
Free Base

>  <CAS> (1,316)
2231744-29-7

>  <URL> (1,316)
http://www.selleckchem.com/products/mt-802.html

$$$$

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1408

>  <Formula> (1,317)
C26H26ClN3O4

>  <MolWeight> (1,317)
479.95534

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S7647

>  <Name> (1,317)
Lucitanib (E3810) hydrochloride

>  <Synonyms> (1,317)
AL3810

>  <Target> (1,317)
VEGFR

>  <Form> (1,317)
Hydrochloride

>  <CAS> (1,317)
1058137-23-7

>  <URL> (1,317)
http://www.selleckchem.com/products/lucitanib.html

$$$$

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>  <Formula> (1,318)
C26H25F2N7O6S2

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633.6468064

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S7837

>  <Name> (1,318)
Centrinone (LCR-263)

>  <Target> (1,318)
PLK

>  <Form> (1,318)
Free Base

>  <CAS> (1,318)
1798871-30-3

>  <URL> (1,318)
http://www.selleckchem.com/products/centrinone.html

$$$$

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>  <Formula> (1,319)
C18H19F2N5O4

>  <MolWeight> (1,319)
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>  <Cat> (1,319)
S8668

>  <Name> (1,319)
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>  <Synonyms> (1,319)
RG6114

>  <Target> (1,319)
PI3K

>  <Form> (1,319)
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>  <CAS> (1,319)
2060571-02-8

>  <URL> (1,319)
http://www.selleckchem.com/products/gdc-0077.html

$$$$

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M  END
>  <Mol_ID> (1,323)
1415

>  <Formula> (1,323)
C20H12F3N3

>  <MolWeight> (1,323)
351.3245896

>  <Cat> (1,323)
S0186

>  <Name> (1,323)
TA-01

>  <Synonyms> (1,323)
N/A

>  <Target> (1,323)
Casein Kinase

>  <Form> (1,323)
Free Base

>  <CAS> (1,323)
1784751-18-3

>  <URL> (1,323)
http://www.selleckchem.com/products/ta-01.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,324)
1416

>  <Formula> (1,324)
C25H34Cl2N6O

>  <MolWeight> (1,324)
505.48306

>  <Cat> (1,324)
S0430

>  <Name> (1,324)
MELK-8a Dihydrochloride

>  <Synonyms> (1,324)
N/A

>  <Target> (1,324)
MELK

>  <Form> (1,324)
Dihydrochloride

>  <CAS> (1,324)
1922153-17-0 (free base)

>  <URL> (1,324)
http://www.selleckchem.com/products/melk-8a-hydrochloride.html

$$$$

csChFnd80/09132414022D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,325)
1417

>  <Formula> (1,325)
C29H35ClFN7O3

>  <MolWeight> (1,325)
584.0847032

>  <Cat> (1,325)
E0368

>  <Name> (1,325)
DZD9008

>  <Synonyms> (1,325)
N/A

>  <Target> (1,325)
EGFR

>  <Form> (1,325)
Free Base

>  <CAS> (1,325)
2370013-49-1

>  <URL> (1,325)
http://www.selleckchem.com/products/dzd9008.html

$$$$

csChFnd80/09132414022D

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1394371-71-1

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1234479-76-5

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1221962-86-2

>  <URL> (1,329)
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 19 24  2  0  0  0  0
 20 21  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,330)
1422

>  <Formula> (1,330)
C21H22N4O4

>  <MolWeight> (1,330)
394.42378

>  <Cat> (1,330)
S5989

>  <Name> (1,330)
SKI-178

>  <Synonyms> (1,330)
N/A

>  <Target> (1,330)
SPHK

>  <Form> (1,330)
Free Base

>  <CAS> (1,330)
1259484-97-3

>  <URL> (1,330)
http://www.selleckchem.com/products/ski-178.html

$$$$

csChFnd80/09132414022D

 29 32  0  0  0  0  0  0  0  0999 V2000
   10.9120    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
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 26 28  2  0  0  0  0
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 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,331)
1423

>  <Formula> (1,331)
C25H24N2O2

>  <MolWeight> (1,331)
384.47026

>  <Cat> (1,331)
S6177

>  <Name> (1,331)
CP 43

>  <Synonyms> (1,331)
Compound 43, TAO Kinase inhibitor 1, TAOK inhibitor 43,

>  <Target> (1,331)
Others

>  <Form> (1,331)
Free Base

>  <CAS> (1,331)
850467-66-2

>  <URL> (1,331)
http://www.selleckchem.com/products/cp-43.html

$$$$

csChFnd80/09132414022D

 34 38  0  0  0  0  0  0  0  0999 V2000
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   22.3266    3.4525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8394    1.3525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5895    4.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  2  0  0  0  0
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 32 34  2  0  0  0  0
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M  END
>  <Mol_ID> (1,332)
1424

>  <Formula> (1,332)
C26H36N6O2

>  <MolWeight> (1,332)
464.60304

>  <Cat> (1,332)
S6386

>  <Name> (1,332)
MRT67307

>  <Synonyms> (1,332)
IKK¦Å/TBK1 Inhibitor II

>  <Target> (1,332)
TBK1

>  <Form> (1,332)
Free Base

>  <CAS> (1,332)
1190378-57-4

>  <URL> (1,332)
http://www.selleckchem.com/products/mrt67307.html

$$$$

csChFnd80/09132414022D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,333)
1425

>  <Formula> (1,333)
C17H13NaO4

>  <MolWeight> (1,333)
304.27249

>  <Cat> (1,333)
S6396

>  <Name> (1,333)
HOIPIN-1

>  <Synonyms> (1,333)
JTP-0819958, HOIP inhibitor-1

>  <Target> (1,333)
Others

>  <Form> (1,333)
Free Base

>  <URL> (1,333)
http://www.selleckchem.com/products/hoipin-1.html

$$$$

csChFnd80/09132414022D

 37 40  0  0  0  0  0  0  0  0999 V2000
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 37 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,334)
1426

>  <Formula> (1,334)
C27H23FN4O4S

>  <MolWeight> (1,334)
518.5593232

>  <Cat> (1,334)
S6764

>  <Name> (1,334)
Pamufetinib (TAS-115)

>  <Synonyms> (1,334)
N/A

>  <Target> (1,334)
VEGFR

>  <Form> (1,334)
Free Base

>  <CAS> (1,334)
1190836-34-0

>  <URL> (1,334)
http://www.selleckchem.com/products/tas-115.html

$$$$

csChFnd80/09132414022D

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1427

>  <Formula> (1,335)
C21H31N7O

>  <MolWeight> (1,335)
397.51714

>  <Cat> (1,335)
S7371

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Fadraciclib (CYC065)

>  <Synonyms> (1,335)
N/A

>  <Target> (1,335)
CDK

>  <Form> (1,335)
Free Base

>  <CAS> (1,335)
1070790-89-4

>  <URL> (1,335)
http://www.selleckchem.com/products/fadraciclib.html

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csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,336)
1428

>  <Formula> (1,336)
C17H15BrN4O2S

>  <MolWeight> (1,336)
419.2956

>  <Cat> (1,336)
S9850

>  <Name> (1,336)
(E/Z)-GO289

>  <Synonyms> (1,336)
N/A

>  <Target> (1,336)
Casein Kinase

>  <Form> (1,336)
Free Base

>  <CAS> (1,336)
694522-87-7

>  <URL> (1,336)
http://www.selleckchem.com/products/e-z-go289.html

$$$$

csChFnd80/09132414022D

 33 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,337)
1429

>  <Formula> (1,337)
C27H20ClN3O2

>  <MolWeight> (1,337)
453.9196

>  <Cat> (1,337)
E0047

>  <Name> (1,337)
Vodobatinib (K0706)

>  <Synonyms> (1,337)
SCO-088, SUN K706, SUN-K0706

>  <Target> (1,337)
Bcr-Abl

>  <Form> (1,337)
Free Base

>  <CAS> (1,337)
1388803-90-4

>  <URL> (1,337)
http://www.selleckchem.com/products/vodobatinib.html

$$$$

csChFnd80/09132414022D

 35 38  0  0  0  0  0  0  0  0999 V2000
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1430

>  <Formula> (1,338)
C27H27N5O3

>  <MolWeight> (1,338)
469.53498

>  <Cat> (1,338)
E0050

>  <Name> (1,338)
Seralutinib (GB002)

>  <Synonyms> (1,338)
PK10571

>  <Target> (1,338)
PDGFR

>  <Form> (1,338)
Free Base

>  <CAS> (1,338)
1619931-27-9

>  <URL> (1,338)
http://www.selleckchem.com/products/seralutinib-pk10571.html

$$$$

csChFnd80/09132414022D

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  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  2  0  0  0  0
 10 16  2  0  0  0  0
 11 14  2  0  0  0  0
 13 17  1  0  0  0  0
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  4 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,339)
1431

>  <Formula> (1,339)
C16H11N3O2

>  <MolWeight> (1,339)
277.27744

>  <Cat> (1,339)
E0072

>  <Name> (1,339)
Indirubin-3¡ä-oxime

>  <Synonyms> (1,339)
IDR3O, I3O

>  <Target> (1,339)
GSK-3

>  <Form> (1,339)
Free Base

>  <CAS> (1,339)
667463-82-3

>  <URL> (1,339)
http://www.selleckchem.com/products/indirubin-3-oxime.html

$$$$

csChFnd80/09132414022D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 13 15  2  0  0  0  0
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M  END
>  <Mol_ID> (1,340)
1432

>  <Formula> (1,340)
C21H18NO4+

>  <MolWeight> (1,340)
348.37192

>  <Cat> (1,340)
E0124

>  <Name> (1,340)
Chelerythrine

>  <Synonyms> (1,340)
Toddaline, Broussonpapyrine

>  <Target> (1,340)
PKC

>  <Form> (1,340)
Free Base

>  <CAS> (1,340)
34316-15-9

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

$$$$

csChFnd80/09132414022D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,341)
1433

>  <Formula> (1,341)
C19H21ClN6O

>  <MolWeight> (1,341)
384.86264

>  <Cat> (1,341)
S8571

>  <Name> (1,341)
BTK IN-1

>  <Synonyms> (1,341)
SNS062 analog

>  <Target> (1,341)
Others

>  <Form> (1,341)
free base

>  <CAS> (1,341)
1270014-40-8

>  <URL> (1,341)
http://www.selleckchem.com/products/btk-in-1.html

$$$$

csChFnd80/09132414022D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,342)
1435

>  <Formula> (1,342)
C29H33ClN6

>  <MolWeight> (1,342)
501.06552

>  <Cat> (1,342)
S9892

>  <Name> (1,342)
HM43239

>  <Synonyms> (1,342)
N/A

>  <Target> (1,342)
FLT3

>  <Form> (1,342)
free base

>  <CAS> (1,342)
2569527-64-4

>  <URL> (1,342)
http://www.selleckchem.com/products/hm43239.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,343)
1436

>  <Formula> (1,343)
C29H29F3N8O

>  <MolWeight> (1,343)
562.5887696

>  <Cat> (1,343)
S9973

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Flumatinib (HH-GV-678)

>  <Synonyms> (1,343)
HH-GV678

>  <Target> (1,343)
Bcr-Abl

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free base

>  <CAS> (1,343)
895519-90-1

>  <URL> (1,343)
http://www.selleckchem.com/products/flumatinib-hh-gv-678.html

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csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,344)
1437

>  <Formula> (1,344)
C15H12N2O2

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252.26798

>  <Cat> (1,344)
E0334

>  <Name> (1,344)
BAMB-4

>  <Synonyms> (1,344)
N/A

>  <Form> (1,344)
free base

>  <CAS> (1,344)
891025-25-5

>  <URL> (1,344)
http://www.selleckchem.com/products/bamb-4.html

$$$$

csChFnd80/09132414022D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,345)
1438

>  <Formula> (1,345)
C16H15BrN2O3

>  <MolWeight> (1,345)
363.2059

>  <Cat> (1,345)
S0179

>  <Name> (1,345)
mTOR inhibitor-1

>  <Target> (1,345)
Others

>  <Form> (1,345)
free base

>  <CAS> (1,345)
468747-17-3

>  <URL> (1,345)
http://www.selleckchem.com/products/mtor-inhibitor-1.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,346)
1439

>  <Formula> (1,346)
C13H9NOS

>  <MolWeight> (1,346)
227.28166

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S0291

>  <Name> (1,346)
SU5208

>  <Synonyms> (1,346)
3-[(Thien-2-yl)methylene]-2-indolinone

>  <Target> (1,346)
Others

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free base

>  <CAS> (1,346)
62540-08-3

>  <URL> (1,346)
http://www.selleckchem.com/products/su5208.html

$$$$

csChFnd80/09132414022D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,347)
1441

>  <Formula> (1,347)
C19H20FN5O

>  <MolWeight> (1,347)
353.3934032

>  <Cat> (1,347)
S0387

>  <Name> (1,347)
SB 242235

>  <Synonyms> (1,347)
N/A

>  <Target> (1,347)
p38 MAPK

>  <Form> (1,347)
free base

>  <CAS> (1,347)
193746-75-7

>  <URL> (1,347)
http://www.selleckchem.com/products/sb-242235.html

$$$$

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>  <Mol_ID> (1,348)
1442

>  <Formula> (1,348)
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SD169

>  <Synonyms> (1,348)
5-Carbamoylindole

>  <Target> (1,348)
Others

>  <Form> (1,348)
free base

>  <CAS> (1,348)
1670-87-7

>  <URL> (1,348)
http://www.selleckchem.com/products/sd169.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,349)
1443

>  <Formula> (1,349)
C16H10FN3O2

>  <MolWeight> (1,349)
295.2679032

>  <Cat> (1,349)
S0550

>  <Name> (1,349)
5'-Fluoroindirubinoxime

>  <Synonyms> (1,349)
5'-FIO, compound 13

>  <Target> (1,349)
FLT3

>  <Form> (1,349)
free base

>  <CAS> (1,349)
861214-33-7

>  <URL> (1,349)
http://www.selleckchem.com/products/5-fluoroindirubinoxime.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,350)
1444

>  <Formula> (1,350)
C19H26ClN7O

>  <MolWeight> (1,350)
403.90904

>  <Cat> (1,350)
S0734

>  <Name> (1,350)
Aminopurvalanol A

>  <Synonyms> (1,350)
N/A

>  <Target> (1,350)
CDK

>  <Form> (1,350)
free base

>  <CAS> (1,350)
220792-57-4

>  <URL> (1,350)
http://www.selleckchem.com/products/aminopurvalanol-a.html

$$$$

csChFnd80/09132414022D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,351)
1445

>  <Formula> (1,351)
C17H13BrClF2IN2O2

>  <MolWeight> (1,351)
557.5555964

>  <Cat> (1,351)
S0739

>  <Name> (1,351)
PD184161

>  <Target> (1,351)
MEK

>  <Form> (1,351)
free base

>  <CAS> (1,351)
212631-67-9

>  <URL> (1,351)
http://www.selleckchem.com/products/pd184161.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,352)
1446

>  <Formula> (1,352)
C16H14N2O2

>  <MolWeight> (1,352)
266.29456

>  <Cat> (1,352)
S0763

>  <Name> (1,352)
Tyrphostin AG1433

>  <Synonyms> (1,352)
SU1433, AG1433

>  <Target> (1,352)
Others

>  <Form> (1,352)
free base

>  <CAS> (1,352)
168835-90-3

>  <URL> (1,352)
http://www.selleckchem.com/products/tyrphostin-ag1433.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,353)
1447

>  <Formula> (1,353)
C20H22N2O5

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free base

>  <CAS> (1,353)
319492-82-5

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csChFnd80/09132414022D

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312.3663

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>  <Name> (1,354)
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>  <Synonyms> (1,354)
N/A

>  <Target> (1,354)
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free base

>  <CAS> (1,354)
140405-36-3

>  <URL> (1,354)
http://www.selleckchem.com/products/rsva-405.html

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csChFnd80/09132414022D

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>  <Formula> (1,355)
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>  <MolWeight> (1,355)
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>  <Cat> (1,355)
S1239

>  <Name> (1,355)
TAK-960

>  <Target> (1,355)
PLK

>  <Form> (1,355)
free base

>  <CAS> (1,355)
1137868-52-0

>  <URL> (1,355)
http://www.selleckchem.com/products/tak-960.html

$$$$

csChFnd80/09132414022D

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C22H18F3N3O4S

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GW843682X

>  <Target> (1,356)
PLK

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free base

>  <CAS> (1,356)
660868-91-7

>  <URL> (1,356)
http://www.selleckchem.com/products/gw-843682x.html

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csChFnd80/09132414022D

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>  <CAS> (1,357)
1351758-81-0

>  <URL> (1,357)
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>  <Mol_ID> (1,358)
1453

>  <Formula> (1,358)
C22H25N5O4

>  <MolWeight> (1,358)
423.465

>  <Cat> (1,358)
S3527

>  <Name> (1,358)
AM2394

>  <Synonyms> (1,358)
N/A

>  <Target> (1,358)
Carbohydrate Metabol

>  <Form> (1,358)
free base

>  <CAS> (1,358)
1442684-77-6

>  <URL> (1,358)
http://www.selleckchem.com/products/am2394.html

$$$$

csChFnd80/09132414022D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,359)
1454

>  <Formula> (1,359)
C18H19NO3

>  <MolWeight> (1,359)
297.34836

>  <Cat> (1,359)
S5893

>  <Name> (1,359)
Poloxin

>  <Synonyms> (1,359)
N/A

>  <Target> (1,359)
PLK

>  <Form> (1,359)
free base

>  <CAS> (1,359)
321688-88-4

>  <URL> (1,359)
http://www.selleckchem.com/products/poloxin.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,360)
1455

>  <Formula> (1,360)
C23H20N2O3

>  <MolWeight> (1,360)
372.4165

>  <Cat> (1,360)
S6641

>  <Name> (1,360)
GW284543 (UNC10225170)

>  <Target> (1,360)
MEK

>  <Form> (1,360)
free base

>  <CAS> (1,360)
790186-68-4

>  <URL> (1,360)
http://www.selleckchem.com/products/gw284543.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,361)
1456

>  <Formula> (1,361)
C23H24N4O

>  <MolWeight> (1,361)
372.46286

>  <Cat> (1,361)
S7002

>  <Name> (1,361)
Zotiraciclib

>  <Synonyms> (1,361)
SB1317 (TG02)

>  <Target> (1,361)
CDK

>  <Form> (1,361)
free base

>  <CAS> (1,361)
937270-47-8

>  <URL> (1,361)
http://www.selleckchem.com/products/sb1317-tg02.html

$$$$

csChFnd80/09132414022D

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1432515-73-5

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 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,366)
1461

>  <Formula> (1,366)
C23H20N4O3

>  <MolWeight> (1,366)
400.4299

>  <Cat> (1,366)
E0342

>  <Name> (1,366)
Aurora kinase Inhibitor II

>  <Target> (1,366)
Others

>  <Form> (1,366)
free base

>  <CAS> (1,366)
331770-21-9

>  <URL> (1,366)
http://www.selleckchem.com/products/aurora-kinase-inhibitor-ii.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,367)
1462

>  <Formula> (1,367)
C23H21N3O3

>  <MolWeight> (1,367)
387.43114

>  <Cat> (1,367)
E0344

>  <Name> (1,367)
ErbB2 inhibitor

>  <Synonyms> (1,367)
N/A

>  <Target> (1,367)
Others

>  <Form> (1,367)
free base

>  <CAS> (1,367)
179248-61-4

>  <URL> (1,367)
http://www.selleckchem.com/products/erbb2-inhibitor.html

$$$$

csChFnd80/09132414022D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,368)
1463

>  <Formula> (1,368)
C14H10N2O

>  <MolWeight> (1,368)
222.242

>  <Cat> (1,368)
E0381

>  <Name> (1,368)
(E/Z)-GSK-3¦Â inhibitor 1

>  <Synonyms> (1,368)
N/A

>  <Target> (1,368)
GSK-3

>  <Form> (1,368)
free base

>  <CAS> (1,368)
3367-88-2

>  <URL> (1,368)
http://www.selleckchem.com/products/e-z-gsk-3beta-inhibitor-1.html

$$$$

csChFnd80/09132414022D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,369)
1464

>  <Formula> (1,369)
C13H7ClF2INO2

>  <MolWeight> (1,369)
409.5544564

>  <Cat> (1,369)
E0404

>  <Name> (1,369)
Zapnometinib (PD0184264)

>  <Synonyms> (1,369)
ATR-002

>  <Target> (1,369)
MEK

>  <Form> (1,369)
free base

>  <CAS> (1,369)
303175-44-2

>  <URL> (1,369)
http://www.selleckchem.com/products/zapnometinib-pd0184264.html

$$$$

csChFnd80/09132414022D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,370)
1465

>  <Formula> (1,370)
C16H10BrN3O2

>  <MolWeight> (1,370)
356.1735

>  <Cat> (1,370)
E0474

>  <Name> (1,370)
7BIO

>  <Synonyms> (1,370)
7-bromoindirubin-3-oxime

>  <Target> (1,370)
Others

>  <Form> (1,370)
free base

>  <CAS> (1,370)
916440-85-2

>  <URL> (1,370)
http://www.selleckchem.com/products/7bio.html

$$$$

csChFnd80/09132414022D

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Others

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free base

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219832-49-2

>  <URL> (1,371)
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csChFnd80/09132414022D

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C16H12O5

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E0526

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sappanone A

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p38 MAPK

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free base

>  <CAS> (1,372)
102067-84-5

>  <URL> (1,372)
http://www.selleckchem.com/products/sappanone-a.html

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csChFnd80/09132414022D

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1468

>  <Formula> (1,373)
C14H10N4O3

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282.2542

>  <Cat> (1,373)
E0533

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IRAK-4 protein kinase inhibitor 2

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free base

>  <CAS> (1,373)
301675-24-1

>  <URL> (1,373)
http://www.selleckchem.com/products/irak-4-protein-kinase-inhibitor-2.html

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csChFnd80/09132414022D

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E0534

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VEGFR2-IN-2

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free base

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737818-56-3

>  <URL> (1,374)
http://www.selleckchem.com/products/way-340935.html

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csChFnd80/09132414022D

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WAY-303290

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GluR6 antagonist-1

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free base

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323176-64-3

>  <URL> (1,375)
http://www.selleckchem.com/products/way-303290.html

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M  END
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1471

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C23H18F3N5O3

>  <MolWeight> (1,376)
469.4159296

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E0614

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AWL-II-38.3

>  <Target> (1,376)
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>  <Form> (1,376)
free base

>  <CAS> (1,376)
1135205-94-5

>  <URL> (1,376)
http://www.selleckchem.com/products/awl-ii-38-3.html

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csChFnd80/09132414022D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,377)
1472

>  <Formula> (1,377)
C13H16N2O2S

>  <MolWeight> (1,377)
264.34334

>  <Cat> (1,377)
E0626

>  <Name> (1,377)
AX 20017

>  <Target> (1,377)
Others

>  <Form> (1,377)
free base

>  <CAS> (1,377)
329221-38-7

>  <URL> (1,377)
http://www.selleckchem.com/products/ax-20017.html

$$$$

csChFnd80/09132414022D

 35 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,378)
1473

>  <Formula> (1,378)
C24H32Cl3N7O

>  <MolWeight> (1,378)
540.91618

>  <Cat> (1,378)
E0647

>  <Name> (1,378)
(R)-CR8 trihydrochloride

>  <Target> (1,378)
CDK

>  <Form> (1,378)
Trihydrochloride

>  <CAS> (1,378)
1786438-30-9

>  <URL> (1,378)
http://www.selleckchem.com/products/r-cr8-trihydrochloride.html

$$$$

csChFnd80/09132414022D

 15 14  0  0  0  0  0  0  0  0999 V2000
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A   15
(E)
M  END
>  <Mol_ID> (1,379)
1474

>  <Formula> (1,379)
C10H10O4R

>  <MolWeight> (1,379)
194.184

>  <Cat> (1,379)
E0653

>  <Name> (1,379)
Trans-ferulic acid

>  <Target> (1,379)
AMPK

>  <Form> (1,379)
free base

>  <CAS> (1,379)
537-98-4

>  <URL> (1,379)
http://www.selleckchem.com/products/trans-ferulic-acid.html

$$$$

csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,380)
1476

>  <Formula> (1,380)
C20H20BrNO2

>  <MolWeight> (1,380)
386.2823

>  <Cat> (1,380)
E0785

>  <Name> (1,380)
YS-49

>  <Target> (1,380)
PI3K

>  <Form> (1,380)
free base

>  <CAS> (1,380)
132836-42-1

>  <URL> (1,380)
http://www.selleckchem.com/products/ys-49.html

$$$$

csChFnd80/09132414022D

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31750-48-8

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6975-75-3

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free base

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1198098-03-1

>  <URL> (1,387)
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1484

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C29H34N6O4RS2

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594.74806

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E0814

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>  <Synonyms> (1,388)
AB-1010 mesylate

>  <Target> (1,388)
c-Kit

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>  <CAS> (1,388)
1048007-93-7

>  <URL> (1,388)
http://www.selleckchem.com/products/masitinib-mesylate .html

$$$$

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EGFR

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free base

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897383-62-9

>  <URL> (1,389)
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M  END
>  <Mol_ID> (1,390)
1486

>  <Formula> (1,390)
C21H22ClFN4O3

>  <MolWeight> (1,390)
432.8757832

>  <Cat> (1,390)
E0833

>  <Name> (1,390)
O-Demethyl-Gefitinib

>  <Target> (1,390)
EGFR

>  <Form> (1,390)
free base

>  <CAS> (1,390)
847949-49-9

>  <URL> (1,390)
http://www.selleckchem.com/products/o-demethyl-gefitinib.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,391)
1487

>  <Formula> (1,391)
C15H8Br2ClNO2

>  <MolWeight> (1,391)
429.49052

>  <Cat> (1,391)
E0934

>  <Name> (1,391)
Raf inhibitor 2

>  <Form> (1,391)
free base

>  <CAS> (1,391)
220904-99-4

>  <URL> (1,391)
http://www.selleckchem.com/products/raf-inhibitor-2.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,392)
1488

>  <Formula> (1,392)
C274H411N65O81S6

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M  END
>  <Mol_ID> (1,402)
1499

>  <Formula> (1,402)
C22H23ClN6O

>  <MolWeight> (1,402)
422.91062

>  <Cat> (1,402)
E2201

>  <Name> (1,402)
N-piperidine Ibrutinib hydrochloride

>  <Form> (1,402)
hydrochloride

>  <CAS> (1,402)
2231747-18-3

>  <URL> (1,402)
http://www.selleckchem.com/products/n-piperidine-ibrutinib-hydrochloride.html

$$$$

csChFnd80/09132414022D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,403)
1500

>  <Formula> (1,403)
C19H20ClN5

>  <MolWeight> (1,403)
353.8486

>  <Cat> (1,403)
E2202

>  <Name> (1,403)
1-Naphthyl PP1 hydrochloride

>  <Synonyms> (1,403)
1-NA-PP 1 hydrochloride

>  <Form> (1,403)
hydrochloride

>  <CAS> (1,403)
956025-47-1

>  <URL> (1,403)
http://www.selleckchem.com/products/1-naphthyl-pp1-hydrochloride.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,404)
1501

>  <Formula> (1,404)
C22H22N6O

>  <MolWeight> (1,404)
386.44968

>  <Cat> (1,404)
E2250

>  <Name> (1,404)
IBT6A

>  <Form> (1,404)
free base

>  <CAS> (1,404)
1022150-12-4

>  <URL> (1,404)
http://www.selleckchem.com/products/ibt6a.html

$$$$

csChFnd80/09132414022D

 15 16  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,405)
1502

>  <Formula> (1,405)
C5H3N5O2S3

>  <MolWeight> (1,405)
261.30462

>  <Cat> (1,405)
E2252

>  <Name> (1,405)
SU3327

>  <Form> (1,405)
free base

>  <CAS> (1,405)
40045-50-9

>  <URL> (1,405)
http://www.selleckchem.com/products/su3327.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,406)
1503

>  <Formula> (1,406)
C25H28ClNO

>  <MolWeight> (1,406)
393.94892

>  <Cat> (1,406)
E2368

>  <Name> (1,406)
N-Desmethyltamoxifen hydrochloride

>  <Synonyms> (1,406)
N-Desmethyl tamoxifen HCl

>  <Form> (1,406)
hydrochloride

>  <CAS> (1,406)
15917-65-4

>  <URL> (1,406)
http://www.selleckchem.com/products/n-desmethyltamoxifen-hydrochloride.html

$$$$

csChFnd80/09132414022D

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M  CFW   7 B_NG_STER 3
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140651-18-9

>  <URL> (1,407)
http://www.selleckchem.com/products/can508.html

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csChFnd80/09132414022D

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M  END
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>  <MolWeight> (1,408)
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>  <Cat> (1,408)
E2374

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PI-273

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PI4K

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free base

>  <CAS> (1,408)
925069-34-7

>  <URL> (1,408)
http://www.selleckchem.com/products/pi-273.html

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csChFnd80/09132414022D

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>  <Formula> (1,409)
C18H16N4O2S

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352.41024

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E2376

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KY-05009

>  <Target> (1,409)
MAP4K

>  <Form> (1,409)
free base

>  <CAS> (1,409)
1228280-29-2

>  <URL> (1,409)
http://www.selleckchem.com/products/ky-05009.html

$$$$

csChFnd80/09132414022D

 37 41  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (1,410)
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>  <Cat> (1,410)
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>  <Name> (1,410)
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>  <Form> (1,410)
free base

>  <CAS> (1,410)
959841-49-7

>  <URL> (1,410)
http://www.selleckchem.com/products/-e--akt-inhibitor-iv.html

$$$$

csChFnd80/09132414022D

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923262-96-8

>  <URL> (1,411)
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csChFnd80/09132414022D

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2412056-27-8

>  <URL> (1,413)
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627518-40-5

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csChFnd80/09132414022D

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A   46
.
M  END
>  <Mol_ID> (1,416)
1514

>  <Formula> (1,416)
C31H31N5O6RS3

>  <MolWeight> (1,416)
665.80274

>  <Cat> (1,416)
E2402

>  <Name> (1,416)
T-1101 tosylate

>  <Synonyms> (1,416)
TAI-95 tosylate

>  <Target> (1,416)
Microtubule Associat

>  <Form> (1,416)
tosylate

>  <CAS> (1,416)
2250404-95-4

>  <URL> (1,416)
http://www.selleckchem.com/products/t-1101-tosylate.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,417)
1515

>  <Formula> (1,417)
C27H23F2N7O3

>  <MolWeight> (1,417)
531.5134264

>  <Cat> (1,417)
E2505

>  <Name> (1,417)
TBAP-001

>  <Synonyms> (1,417)
Synthesis 13

>  <Target> (1,417)
Others

>  <Form> (1,417)
free base

>  <CAS> (1,417)
1777832-90-2

>  <URL> (1,417)
http://www.selleckchem.com/products/tbap-001.html

$$$$

csChFnd80/09132414022D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,418)
1516

>  <Formula> (1,418)
C12H14Cl2N2O2S

>  <MolWeight> (1,418)
321.22276

>  <Cat> (1,418)
E2506

>  <Name> (1,418)
A-3 hydrochloride

>  <Form> (1,418)
hydrochloride

>  <CAS> (1,418)
78957-85-4

>  <URL> (1,418)
http://www.selleckchem.com/products/a-3-hydrochloride.html

$$$$

csChFnd80/09132414022D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,419)
1517

>  <Formula> (1,419)
C13H13ClN2O2S

>  <MolWeight> (1,419)
296.77252

>  <Cat> (1,419)
E2509

>  <Name> (1,419)
WAY-297848

>  <Form> (1,419)
free base

>  <CAS> (1,419)
404360-27-6

>  <URL> (1,419)
http://www.selleckchem.com/products/way-297848.html

$$$$

csChFnd80/09132414022D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,420)
1518

>  <Formula> (1,420)
C16H13FO4

>  <MolWeight> (1,420)
288.2704232

>  <Cat> (1,420)
E2510

>  <Name> (1,420)
WAY-301398

>  <Synonyms> (1,420)
6-methoxynaphthalene

>  <Form> (1,420)
free base

>  <CAS> (1,420)
312607-68-4

>  <URL> (1,420)
http://www.selleckchem.com/products/way-301398.html

$$$$

csChFnd80/09132414022D

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C15H15N3O2S

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free base

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298207-49-5

>  <URL> (1,421)
http://www.selleckchem.com/products/way-297342.html

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csChFnd80/09132414022D

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M  END
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1521

>  <Formula> (1,422)
C17H15N3O2S

>  <MolWeight> (1,422)
325.3849

>  <Cat> (1,422)
E2519

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WAY-624704

>  <Form> (1,422)
free base

>  <CAS> (1,422)
692869-38-8

>  <URL> (1,422)
http://www.selleckchem.com/products/way-624704.html

$$$$
>  <Mol_ID> (1,423)
1522

>  <Cat> (1,423)
E2548

>  <Name> (1,423)
N-(p-Coumaroyl) Serotonin

>  <Synonyms> (1,423)
p-coumaroylserotonin

>  <Target> (1,423)
Others

>  <Form> (1,423)
free base

>  <CAS> (1,423)
68573-24-0

>  <URL> (1,423)
http://www.selleckchem.com/products/n--p-coumaroyl--serotonin.html

$$$$

csChFnd80/09132414022D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
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1523

>  <Formula> (1,424)
C16H12FN3S

>  <MolWeight> (1,424)
297.3499832

>  <Cat> (1,424)
E2630

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SKF-86002

>  <Target> (1,424)
p38 MAPK

>  <Form> (1,424)
free base

>  <CAS> (1,424)
72873-74-6

>  <URL> (1,424)
http://www.selleckchem.com/products/skf-86002.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,425)
1524

>  <Formula> (1,425)
C20H16ClN5O2

>  <MolWeight> (1,425)
393.82634

>  <Cat> (1,425)
E2640

>  <Name> (1,425)
M2N12

>  <Target> (1,425)
CDK

>  <Form> (1,425)
free base

>  <CAS> (1,425)
2376577-06-7

>  <URL> (1,425)
http://www.selleckchem.com/products/m2n12.html

$$$$

csChFnd80/09132414022D

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>  <Formula> (1,426)
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>  <Cat> (1,426)
E2642

>  <Name> (1,426)
CGP60474

>  <Form> (1,426)
free base

>  <CAS> (1,426)
164658-13-3

>  <URL> (1,426)
http://www.selleckchem.com/products/cgp60474.html

$$$$

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    6.0619   13.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744   12.5998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744   11.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619   10.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6991    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    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    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
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  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
  1 11  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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 16 17  2  0  0  0  0
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 13 18  2  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  2  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
 19 27  1  0  0  0  0
 22 27  1  0  0  0  0
 14 26  1  0  0  0  0
 12 13  1  0  0  0  0
  7 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 29 34  2  0  0  0  0
 32 35  1  0  0  0  0
 11 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,431)
1530

>  <Formula> (1,431)
C26H19ClN8

>  <MolWeight> (1,431)
478.93566

>  <Cat> (1,431)
E2651

>  <Name> (1,431)
Raf inhibitor 1

>  <Form> (1,431)
free base

>  <CAS> (1,431)
1093100-40-3

>  <URL> (1,431)
http://www.selleckchem.com/products/raf-inhibitor-1.html

$$$$

csChFnd80/09132414022D

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.7916    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9687    1.6674    0.0000 N   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
    4.9687    3.9326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1916    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8916    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8916    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    0.0000    0.0000 Br  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
  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  4  2  0  0  0  0
  6  3  2  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
  8 14  1  0  0  0  0
  7 15  1  0  0  0  0
  6 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,432)
1531

>  <Formula> (1,432)
C9H7Br4N3

>  <MolWeight> (1,432)
476.78798

>  <Cat> (1,432)
E2659

>  <Name> (1,432)
DMAT

>  <Form> (1,432)
free base

>  <CAS> (1,432)
749234-11-5

>  <URL> (1,432)
http://www.selleckchem.com/products/dmat.html

$$$$

csChFnd80/09132414022D

 31 32  0  0  0  0  0  0  0  0999 V2000
    7.7974    5.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8434    3.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5638    5.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2369    5.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9528    7.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0816    3.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0057    3.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3947    5.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2785    4.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4200    6.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1266    8.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1277    1.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4361    3.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6709    7.2267    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6823    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6501    0.0000    0.0000 Na  0  3  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  2  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 10  1  0  0  0  0
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  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 21 23  1  0  0  0  0
 24 27  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,433)
1532

>  <Formula> (1,433)
C23H14Na2O6

>  <MolWeight> (1,433)
432.3332

>  <Cat> (1,433)
E2660

>  <Name> (1,433)
Pamoic acid disodium

>  <Form> (1,433)
disodium salt

>  <CAS> (1,433)
6640-22-8

>  <URL> (1,433)
http://www.selleckchem.com/products/pamoic-acid-disodium.html

$$$$

csChFnd80/09132414022D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.7999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.1999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8999    0.0000 O   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    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.7999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8496    0.7001    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  1  1  0  0  0
  4  8  1  6  0  0  0
  9 10  1  0  0  0  0
  2  9  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
 12 17  1  0  0  0  0
 18 19  1  0  0  0  0
 13 18  1  6  0  0  0
 17 20  1  6  0  0  0
 15 21  1  6  0  0  0
 16 22  1  1  0  0  0
 11 14  1  0  0  0  0
  6 11  1  6  0  0  0
  5 23  1  1  0  0  0
M  END
>  <Mol_ID> (1,434)
1533

>  <Formula> (1,434)
C12H24N2O9

>  <MolWeight> (1,434)
340.32696

>  <Cat> (1,434)
E2661

>  <Name> (1,434)
Chitosan oligosaccharide

>  <Synonyms> (1,434)
COS

>  <Form> (1,434)
free base

>  <CAS> (1,434)
148411-57-8

>  <URL> (1,434)
http://www.selleckchem.com/products/chitosan-oligosaccharide.html

$$$$

csChFnd80/09132414022D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7916    2.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    1.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1916    2.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8916    1.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8916    3.6765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8640    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4013    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  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  1  2  0  0  0  0
  6  2  2  0  0  0  0
 10 11  2  0  0  0  0
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  4 10  1  0  0  0  0
  8 13  1  0  0  0  0
  3 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,435)
1534

>  <Formula> (1,435)
C9H4Cl2O2S

>  <MolWeight> (1,435)
247.09786

>  <Cat> (1,435)
E2663

>  <Name> (1,435)
BT2

>  <Form> (1,435)
free base

>  <CAS> (1,435)
34576-94-8

>  <URL> (1,435)
http://www.selleckchem.com/products/bt2.html

$$$$

csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.6138    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0914    0.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    3.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    4.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1180676-33-8

>  <URL> (1,437)
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csChFnd80/09132414022D

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1642839-27-7

>  <URL> (1,438)
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csChFnd80/09132414022D

 22 25  0  0  0  0  0  0  0  0999 V2000
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475-25-2

>  <URL> (1,439)
http://www.selleckchem.com/products/hematein.html

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csChFnd80/09132414022D

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517-88-4

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>  <Formula> (1,441)
C25H26FN5O2

>  <MolWeight> (1,441)
447.5046432

>  <Cat> (1,441)
E2838

>  <Name> (1,441)
TL-895

>  <Form> (1,441)
free base

>  <CAS> (1,441)
1415823-49-2

>  <URL> (1,441)
http://www.selleckchem.com/products/tl-895.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,442)
1541

>  <Formula> (1,442)
C38H74N18O10

>  <MolWeight> (1,442)
943.10876

>  <Cat> (1,442)
P1153

>  <Name> (1,442)
PKG inhibitor peptide

>  <Form> (1,442)
free base

>  <CAS> (1,442)
82801-73-8

>  <URL> (1,442)
http://www.selleckchem.com/products/pkg-inhibitor-peptide.html

$$$$

csChFnd80/09132414022D

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C53H100N20O12

>  <MolWeight> (1,443)
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>  <Name> (1,443)
PKI 14-22 amide,myristoylated

>  <Form> (1,443)
free base

>  <CAS> (1,443)
201422-03-9

>  <URL> (1,443)
http://www.selleckchem.com/products/pki-14-22-amide-myristoylated.html

$$$$
>  <Mol_ID> (1,444)
1543

>  <Cat> (1,444)
P1159

>  <Name> (1,444)
Autocamtide 2, amide

>  <Form> (1,444)
free base

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http://www.selleckchem.com/products/autocamtide-2-amide.html

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csChFnd80/09132414022D

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1544

>  <Formula> (1,445)
C37H65N9O13

>  <MolWeight> (1,445)
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P1160

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Epsilon-V1-2

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¦Å-V1-2

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free base

>  <CAS> (1,445)
182683-50-7

>  <URL> (1,445)
http://www.selleckchem.com/products/epsilon-v1-2.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,446)
1545

>  <Formula> (1,446)
C21H42N6O5

>  <MolWeight> (1,446)
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>  <Cat> (1,446)
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>  <Name> (1,446)
LSKL, Inhibitor of Thrombospondin (TSP-1)

>  <Form> (1,446)
free base

>  <CAS> (1,446)
283609-79-0

>  <URL> (1,446)
http://www.selleckchem.com/products/lskl--Inhibitor-of-thrombospondin--tsp-1--tfa-.html

$$$$
>  <Mol_ID> (1,447)
1546

>  <Cat> (1,447)
P1167

>  <Name> (1,447)
pm26TGF-¦Â1 peptide (TFA)

>  <Form> (1,447)
free base

>  <URL> (1,447)
http://www.selleckchem.com/products/pm26tgf-beta1-peptide--tfa-.html

$$$$

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>  <URL> (1,449)
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E2407

>  <Name> (1,450)
MK2-IN-1 hydrochloride

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MAPKAPK2

>  <Form> (1,450)
hydrochloride

>  <CAS> (1,450)
1314118-94-9

>  <URL> (1,450)
http://www.selleckchem.com/products/mk2-in-1-hydrochloride-.html

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csChFnd80/09132414022D

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C20H28O3

>  <MolWeight> (1,451)
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>  <Cat> (1,451)
S0947

>  <Name> (1,451)
Cafestol

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N/A

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PI3K

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free base

>  <CAS> (1,451)
469-83-0

>  <URL> (1,451)
http://www.selleckchem.com/products/cafestol.html

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>  <Formula> (1,452)
C30H34N8

>  <MolWeight> (1,452)
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>  <Cat> (1,452)
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>  <Name> (1,452)
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>  <Synonyms> (1,452)
BGB324

>  <Target> (1,452)
Axl

>  <Form> (1,452)
free base

>  <CAS> (1,452)
1037624-75-1

>  <URL> (1,452)
http://www.selleckchem.com/products/r428.html

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ERK

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942183-80-4

>  <URL> (1,453)
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M  END
>  <Mol_ID> (1,454)
1553

>  <Formula> (1,454)
C22H27ClFN7O4S

>  <MolWeight> (1,454)
540.0106832

>  <Cat> (1,454)
S7108

>  <Name> (1,454)
Encorafenib (LGX818)

>  <Synonyms> (1,454)
N/A

>  <Target> (1,454)
Raf

>  <Form> (1,454)
free base

>  <CAS> (1,454)
1269440-17-6

>  <URL> (1,454)
http://www.selleckchem.com/products/lgx818.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,455)
1554

>  <Formula> (1,455)
C17H19F3N6O

>  <MolWeight> (1,455)
380.3675696

>  <Cat> (1,455)
S8162

>  <Name> (1,455)
Upadacitinib (ABT-494)

>  <Synonyms> (1,455)
N/A

>  <Target> (1,455)
JAK

>  <Form> (1,455)
free base

>  <CAS> (1,455)
1310726-60-3

>  <URL> (1,455)
http://www.selleckchem.com/products/upadacitinib.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,456)
1555

>  <Formula> (1,456)
C32H30F2N4O4

>  <MolWeight> (1,456)
572.6018064

>  <Cat> (1,456)
S8381

>  <Name> (1,456)
BMS-986142

>  <Synonyms> (1,456)
N/A

>  <Target> (1,456)
BTK

>  <Form> (1,456)
free base

>  <CAS> (1,456)
1643368-58-4

>  <URL> (1,456)
http://www.selleckchem.com/products/bms-986142.html

$$$$

csChFnd80/09132414022D

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>  <Formula> (1,457)
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>  <MolWeight> (1,457)
664.79646

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>  <Name> (1,457)
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>  <Synonyms> (1,457)
N/A

>  <Target> (1,457)
BTK

>  <Form> (1,457)
free base

>  <CAS> (1,457)
1434048-34-6

>  <URL> (1,457)
http://www.selleckchem.com/products/fenebrutinib-gdc-0853.html

$$$$

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M  END
>  <Mol_ID> (1,458)
1557

>  <Formula> (1,458)
C26H27FN10

>  <MolWeight> (1,458)
498.5579832

>  <Cat> (1,458)
S8553

>  <Name> (1,458)
Avapritinib (BLU-285)

>  <Synonyms> (1,458)
N/A

>  <Target> (1,458)
PDGFR

>  <Form> (1,458)
free base

>  <CAS> (1,458)
1703793-34-3

>  <URL> (1,458)
http://www.selleckchem.com/products/blu-285.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,459)
1558

>  <Formula> (1,459)
C22H28ClN5O2

>  <MolWeight> (1,459)
429.94302

>  <Cat> (1,459)
S8719

>  <Name> (1,459)
AZD4573

>  <Synonyms> (1,459)
N/A

>  <Target> (1,459)
CDK

>  <Form> (1,459)
free base

>  <CAS> (1,459)
2057509-72-3

>  <URL> (1,459)
http://www.selleckchem.com/products/azd4573.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,460)
1559

>  <Formula> (1,460)
C17H18N4O3S

>  <MolWeight> (1,460)
358.41482

>  <Cat> (1,460)
S8809

>  <Name> (1,460)
MC180295

>  <Synonyms> (1,460)
(rel)-MC180295

>  <Target> (1,460)
CDK

>  <Form> (1,460)
free base

>  <CAS> (1,460)
2237942-08-2

>  <URL> (1,460)
http://www.selleckchem.com/products/mc180295.html

$$$$

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M  END
>  <Mol_ID> (1,461)
1560

>  <Formula> (1,461)
C20H23FN4O2

>  <MolWeight> (1,461)
370.4206232

>  <Cat> (1,461)
S8832

>  <Name> (1,461)
Branebrutinib (BMS-986195)

>  <Synonyms> (1,461)
N/A

>  <Target> (1,461)
BTK

>  <Form> (1,461)
free base

>  <CAS> (1,461)
1912445-55-6

>  <URL> (1,461)
http://www.selleckchem.com/products/branebrutinib.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,462)
1561

>  <Formula> (1,462)
C26H32N8O3

>  <MolWeight> (1,462)
504.58408

>  <Cat> (1,462)
S8833

>  <Name> (1,462)
TAS0728

>  <Synonyms> (1,462)
TPC 107

>  <Target> (1,462)
HER2

>  <Form> (1,462)
free base

>  <CAS> (1,462)
2088323-16-2

>  <URL> (1,462)
http://www.selleckchem.com/products/tas0728.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,463)
1562

>  <Formula> (1,463)
C20H19D3N8O3

>  <MolWeight> (1,463)
425.458965334

>  <Cat> (1,463)
S8879

>  <Name> (1,463)
Deucravacitinib (BMS-986165)

>  <Synonyms> (1,463)
N/A

>  <Target> (1,463)
JAK

>  <Form> (1,463)
free base

>  <CAS> (1,463)
1609392-27-9

>  <URL> (1,463)
http://www.selleckchem.com/products/bms-986165.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,464)
1564

>  <Formula> (1,464)
C13H8Cl2N4OS

>  <MolWeight> (1,464)
339.19982

>  <Cat> (1,464)
S0006

>  <Name> (1,464)
BTdCPU

>  <Synonyms> (1,464)
N/A

>  <Target> (1,464)
PERK

>  <Form> (1,464)
Free base

>  <CAS> (1,464)
1257423-87-2

>  <URL> (1,464)
http://www.selleckchem.com/products/btdcpu.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,465)
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>  <Formula> (1,465)
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>  <MolWeight> (1,465)
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>  <Cat> (1,465)
S7614

>  <Name> (1,465)
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>  <Target> (1,465)
mTOR

>  <Form> (1,465)
Free base

>  <CAS> (1,465)
27406-31-1

>  <URL> (1,465)
http://www.selleckchem.com/products/mhy-1685.html

$$$$

csChFnd80/09132414022D

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PI3K

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1523406-39-4

>  <URL> (1,466)
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>  <Formula> (1,467)
C20H18FN5O

>  <MolWeight> (1,467)
363.3882232

>  <Cat> (1,467)
S7710

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R-268712

>  <Target> (1,467)
TGF-beta/Smad

>  <Form> (1,467)
Free base

>  <CAS> (1,467)
879487-87-3

>  <URL> (1,467)
http://www.selleckchem.com/products/r-268712.html

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1568

>  <Formula> (1,468)
C19H15ClN4O2

>  <MolWeight> (1,468)
366.801

>  <Cat> (1,468)
S7736

>  <Name> (1,468)
MLN120B

>  <Synonyms> (1,468)
ML120B

>  <Target> (1,468)
I¦ÊB/IKK

>  <Form> (1,468)
Free base

>  <CAS> (1,468)
783348-36-7

>  <URL> (1,468)
http://www.selleckchem.com/products/mln120b.html

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>  <Formula> (1,469)
C36H56O8

>  <MolWeight> (1,469)
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>  <Cat> (1,469)
S7791

>  <Name> (1,469)
Phorbol 12-myristate 13-acetate (PMA)

>  <Synonyms> (1,469)
12-O-Tetradecanoylphorbol-13-acetate,TPA, Phorbol myristate acetate

>  <Target> (1,469)
PKC

>  <Form> (1,469)
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>  <CAS> (1,469)
16561-29-8

>  <URL> (1,469)
http://www.selleckchem.com/products/phorbol-12-myristate-13-acetate.html

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>  <Formula> (1,470)
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>  <MolWeight> (1,470)
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>  <Cat> (1,470)
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>  <Name> (1,470)
Lifirafenib (BGB-283)

>  <Synonyms> (1,470)
Beigene-283

>  <Target> (1,470)
Raf

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>  <CAS> (1,470)
1446090-79-4

>  <URL> (1,470)
http://www.selleckchem.com/products/bgb-283-bgb283.html

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>  <Formula> (1,471)
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>  <MolWeight> (1,471)
570.6371

>  <Cat> (1,471)
S8064

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>  <Synonyms> (1,471)
CGP 41251

>  <Target> (1,471)
PKC

>  <Form> (1,471)
Free base

>  <CAS> (1,471)
120685-11-2

>  <URL> (1,471)
http://www.selleckchem.com/products/midostaurin-pkc412.html

$$$$

csChFnd80/09132414022D

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>  <Formula> (1,472)
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>  <MolWeight> (1,472)
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>  <Cat> (1,472)
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>  <Name> (1,472)
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>  <Synonyms> (1,472)
N/A

>  <Form> (1,472)
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>  <CAS> (1,472)
1276121-88-0

>  <URL> (1,472)
http://www.selleckchem.com/products/pf-3644022.html

$$$$

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EGFR

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Free base

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2230821-27-7

>  <URL> (1,476)
http://www.selleckchem.com/products/gefitinib-based-protac-3.html

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csChFnd80/09132414022D

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1579

>  <Formula> (1,477)
C21H24N8O

>  <MolWeight> (1,477)
404.46826

>  <Cat> (1,477)
S0177

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XMD-17-51

>  <Synonyms> (1,477)
XMD17-51

>  <Target> (1,477)
AMPK

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Free base

>  <CAS> (1,477)
1628614-50-5

>  <URL> (1,477)
http://www.selleckchem.com/products/xmd-17-51.html

$$$$

csChFnd80/09132414022D

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1580

>  <Formula> (1,478)
C29H30Cl2N6O2

>  <MolWeight> (1,478)
565.4935

>  <Cat> (1,478)
S0371

>  <Name> (1,478)
(1E)-CFI-400437 dihydrochloride

>  <Synonyms> (1,478)
N/A

>  <Target> (1,478)
Others

>  <Form> (1,478)
Dihydrochloride

>  <CAS> (1,478)
1247000-76-5

>  <URL> (1,478)
http://www.selleckchem.com/products/cfi-400437.html

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csChFnd80/09132414022D

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1581

>  <Formula> (1,479)
C21H18FNO7S

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>  <Cat> (1,479)
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KAN0438757

>  <Synonyms> (1,479)
N/A

>  <Target> (1,479)
PFKFB

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Free base

>  <CAS> (1,479)
1451255-59-6

>  <URL> (1,479)
http://www.selleckchem.com/products/kan0438757.html

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csChFnd80/09132414022D

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>  <Formula> (1,484)
C27H29N5O

>  <MolWeight> (1,484)
439.55206

>  <Cat> (1,484)
S1034

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NVP-AEW541

>  <Synonyms> (1,484)
AEW541

>  <Target> (1,484)
IGF-1R

>  <Form> (1,484)
Free base

>  <CAS> (1,484)
475489-16-8

>  <URL> (1,484)
http://www.selleckchem.com/products/NVP-AEW541.html

$$$$

csChFnd80/09132414022D

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>  <Formula> (1,485)
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>  <MolWeight> (1,485)
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>  <Cat> (1,485)
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>  <Name> (1,485)
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>  <Synonyms> (1,485)
AG-013958

>  <Target> (1,485)
VEGFR

>  <Form> (1,485)
Free base

>  <CAS> (1,485)
319460-94-1

>  <URL> (1,485)
http://www.selleckchem.com/products/ag-13958.html

$$$$

csChFnd80/09132414022D

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1588

>  <Formula> (1,486)
C27H28ClFN6O

>  <MolWeight> (1,486)
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>  <Cat> (1,486)
S2733

>  <Name> (1,486)
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>  <Synonyms> (1,486)
MP-412 free base

>  <Target> (1,486)
EGFR

>  <Form> (1,486)
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>  <CAS> (1,486)
451492-95-8

>  <URL> (1,486)
http://www.selleckchem.com/products/av-412-free-base.html

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csChFnd80/09132414022D

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>  <Formula> (1,487)
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>  <MolWeight> (1,487)
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>  <Cat> (1,487)
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>  <Name> (1,487)
Wortmannin (KY 12420)

>  <Synonyms> (1,487)
SL-2052, BRN 0067676, NSC 627609

>  <Target> (1,487)
PI3K

>  <Form> (1,487)
Free base

>  <CAS> (1,487)
19545-26-7

>  <URL> (1,487)
http://www.selleckchem.com/products/wortmannin.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,488)
1590

>  <Formula> (1,488)
C16H19N5O

>  <MolWeight> (1,488)
297.35496

>  <Cat> (1,488)
S3522

>  <Name> (1,488)
2OH-BNPP1

>  <Synonyms> (1,488)
N/A

>  <Target> (1,488)
Serine/threonin kina

>  <Form> (1,488)
Free base

>  <CAS> (1,488)
833481-73-5

>  <URL> (1,488)
http://www.selleckchem.com/products/2oh-bnpp1.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,489)
1591

>  <Formula> (1,489)
C23H27FN6O3

>  <MolWeight> (1,489)
454.4972832

>  <Cat> (1,489)
S3523

>  <Name> (1,489)
AZD7507

>  <Target> (1,489)
CSF-1R

>  <Form> (1,489)
Free base

>  <CAS> (1,489)
1041852-85-0

>  <URL> (1,489)
http://www.selleckchem.com/products/azd7507.html

$$$$

csChFnd80/09132414022D

 55 55  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,490)
1592

>  <Formula> (1,490)
C30H41F3N8O11S3

>  <MolWeight> (1,490)
842.8837496

>  <Cat> (1,490)
S5984

>  <Name> (1,490)
AST5902  trimesylate

>  <Synonyms> (1,490)
N/A

>  <Target> (1,490)
Others

>  <Form> (1,490)
Trimesylate

>  <CAS> (1,490)
2412155-74-7

>  <URL> (1,490)
http://www.selleckchem.com/products/ast5902.html

$$$$

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M  END
>  <Mol_ID> (1,491)
1594

>  <Formula> (1,491)
C26H22FN7O3

>  <MolWeight> (1,491)
499.4963832

>  <Cat> (1,491)
S6621

>  <Name> (1,491)
CCG215022

>  <Synonyms> (1,491)
N/A

>  <Target> (1,491)
GRK

>  <Form> (1,491)
Free base

>  <CAS> (1,491)
1813527-81-9

>  <URL> (1,491)
http://www.selleckchem.com/products/ccg215022.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,492)
1595

>  <Formula> (1,492)
C28H28N6O4

>  <MolWeight> (1,492)
512.55972

>  <Cat> (1,492)
S6768

>  <Name> (1,492)
CC-671

>  <Synonyms> (1,492)
N/A

>  <Target> (1,492)
MPS1

>  <Form> (1,492)
Free base

>  <CAS> (1,492)
1618658-88-0

>  <URL> (1,492)
http://www.selleckchem.com/products/cc-671.html

$$$$

csChFnd80/09132414022D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,493)
1596

>  <Formula> (1,493)
C18H16FN3O

>  <MolWeight> (1,493)
309.3375432

>  <Cat> (1,493)
S6789

>  <Name> (1,493)
JAK Inhibitor I (Pyridone 6)

>  <Synonyms> (1,493)
CMP 6, Compound 6

>  <Target> (1,493)
JAK

>  <Form> (1,493)
Free base

>  <CAS> (1,493)
457081-03-7

>  <URL> (1,493)
http://www.selleckchem.com/products/jak-inhibitor-i.html

$$$$

csChFnd80/09132414022D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,494)
1597

>  <Formula> (1,494)
C29H40N6O

>  <MolWeight> (1,494)
488.6675

>  <Cat> (1,494)
S6839

>  <Name> (1,494)
MRX-2843

>  <Synonyms> (1,494)
UNC2371

>  <Target> (1,494)
Mertk

>  <Form> (1,494)
Free base

>  <CAS> (1,494)
1429882-07-4

>  <URL> (1,494)
http://www.selleckchem.com/products/mrx-2843.html

$$$$

csChFnd80/09132414022D

 39 43  0  0  0  0  0  0  0  0999 V2000
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 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <Mol_ID> (1,495)
1598

>  <Formula> (1,495)
C30H30F3N5O

>  <MolWeight> (1,495)
533.5873096

>  <Cat> (1,495)
S6840

>  <Name> (1,495)
OSU-T315

>  <Synonyms> (1,495)
ILK-IN-2

>  <Target> (1,495)
Integrin

>  <Form> (1,495)
Free base

>  <CAS> (1,495)
2070015-22-2

>  <URL> (1,495)
http://www.selleckchem.com/products/osu-t315.html

$$$$

csChFnd80/09132414022D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,496)
1599

>  <Formula> (1,496)
C30H28Cl2FN5O3

>  <MolWeight> (1,496)
596.4794232

>  <Cat> (1,496)
S6897

>  <Name> (1,496)
Epertinib hydrochloride

>  <Synonyms> (1,496)
Epertinib HCl, S-222611 hydrochloride, S-222611 HCl

>  <Target> (1,496)
EGFR

>  <Form> (1,496)
Hydrochloride

>  <CAS> (1,496)
2071195-74-7

>  <URL> (1,496)
http://www.selleckchem.com/products/epertinib-hydrochloride.html

$$$$

csChFnd80/09132414022D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,497)
1600

>  <Formula> (1,497)
C21H18ClFN6O2

>  <MolWeight> (1,497)
440.8580232

>  <Cat> (1,497)
S7554

>  <Name> (1,497)
Ravoxertinib (GDC-0994)

>  <Synonyms> (1,497)
N/A

>  <Target> (1,497)
ERK

>  <Form> (1,497)
Free base

>  <CAS> (1,497)
1453848-26-4

>  <URL> (1,497)
http://www.selleckchem.com/products/gdc-0994.html

$$$$

csChFnd80/09132414022D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,498)
1601

>  <Formula> (1,498)
C20H21FN6O

>  <MolWeight> (1,498)
380.4187432

>  <Cat> (1,498)
S8636

>  <Name> (1,498)
Selitrectinib (LOXO-195)

>  <Synonyms> (1,498)
BAY 2731954

>  <Target> (1,498)
Trk receptor

>  <Form> (1,498)
Free base

>  <CAS> (1,498)
2097002-61-2

>  <URL> (1,498)
http://www.selleckchem.com/products/loxo-195.html

$$$$

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>  <Mol_ID> (1,499)
1602

>  <Formula> (1,499)
C24H24F2N8O2

>  <MolWeight> (1,499)
494.4965664

>  <Cat> (1,499)
S8708

>  <Name> (1,499)
AZD0364 (ATG-017)

>  <Synonyms> (1,499)
N/A

>  <Target> (1,499)
ERK

>  <Form> (1,499)
Free base

>  <CAS> (1,499)
2097416-76-5

>  <URL> (1,499)
http://www.selleckchem.com/products/azd0364.html

$$$$

csChFnd80/09132414022D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,500)
1603

>  <Formula> (1,500)
C27H32FN9O2

>  <MolWeight> (1,500)
533.6004832

>  <Cat> (1,500)
S8716

>  <Name> (1,500)
Pralsetinib (BLU-667)

>  <Synonyms> (1,500)
CS 3009, Gavreto

>  <Target> (1,500)
c-RET

>  <Form> (1,500)
Free base

>  <CAS> (1,500)
2097132-94-8

>  <URL> (1,500)
http://www.selleckchem.com/products/blu-667.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,501)
1604

>  <Formula> (1,501)
C22H31ClN6O

>  <MolWeight> (1,501)
430.97414

>  <Cat> (1,501)
S8722

>  <Name> (1,501)
Samuraciclib hydrochloride (ICEC0942 hydrochloride)

>  <Synonyms> (1,501)
CT7001 hydrochloride

>  <Target> (1,501)
CDK

>  <Form> (1,501)
Hydrochloride

>  <CAS> (1,501)
1805789-54-1

>  <URL> (1,501)
http://www.selleckchem.com/products/icec0942-hydrochloride.html

$$$$

csChFnd80/09132414022D

 34 37  0  0  0  0  0  0  0  0999 V2000
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>  <MolWeight> (1,502)
489.9453464

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AK-01

>  <Target> (1,502)
Aurora Kinase

>  <Form> (1,502)
Free base

>  <CAS> (1,502)
1919888-06-4

>  <URL> (1,502)
http://www.selleckchem.com/products/ly3295668.html

$$$$

csChFnd80/09132414022D

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>  <MolWeight> (1,503)
515.60672

>  <Cat> (1,503)
S8863

>  <Name> (1,503)
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>  <Synonyms> (1,503)
N/A

>  <Target> (1,503)
CDK

>  <Form> (1,503)
Free base

>  <CAS> (1,503)
1957203-01-8

>  <URL> (1,503)
http://www.selleckchem.com/products/ykl5-124.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,504)
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>  <Formula> (1,504)
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>  <MolWeight> (1,504)
515.5307296

>  <Cat> (1,504)
S8896

>  <Name> (1,504)
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>  <Synonyms> (1,504)
N/A

>  <Target> (1,504)
ERK

>  <Form> (1,504)
Free base

>  <CAS> (1,504)
2307249-33-6

>  <URL> (1,504)
http://www.selleckchem.com/products/bay-885.html

$$$$

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1330782-76-7

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

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2409479-29-2

>  <URL> (1,507)
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M  END
>  <Mol_ID> (1,509)
1612

>  <Formula> (1,509)
C20H23N3O

>  <MolWeight> (1,509)
321.41612

>  <Cat> (1,509)
S9638

>  <Name> (1,509)
BRD0705

>  <Synonyms> (1,509)
N/A

>  <Target> (1,509)
GSK-3

>  <Form> (1,509)
Free base

>  <CAS> (1,509)
2056261-41-5

>  <URL> (1,509)
http://www.selleckchem.com/products/brd0705.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,510)
1613

>  <Formula> (1,510)
C16H14FN5O2

>  <MolWeight> (1,510)
327.3130632

>  <Cat> (1,510)
S9650

>  <Name> (1,510)
LY3143921 hydrate

>  <Synonyms> (1,510)
N/A

>  <Target> (1,510)
CDK

>  <Form> (1,510)
Hydrate

>  <CAS> (1,510)
1627696-53-0

>  <URL> (1,510)
http://www.selleckchem.com/products/ly3143921-hydrate.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,511)
1614

>  <Formula> (1,511)
C57H73FN10O11S2

>  <MolWeight> (1,511)
1157.3783232

>  <Cat> (1,511)
S9672

>  <Name> (1,511)
PROTAC SGK3 degrader-1

>  <Synonyms> (1,511)
SGK3-PROTAC1

>  <Target> (1,511)
SGK

>  <Form> (1,511)
Free base

>  <CAS> (1,511)
2381320-35-8

>  <URL> (1,511)
http://www.selleckchem.com/products/protac-sgk3-degrader-1.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,512)
1616

>  <Formula> (1,512)
C22H21F4N5O3

>  <MolWeight> (1,512)
479.4274528

>  <Cat> (1,512)
S9825

>  <Name> (1,512)
Pirtobrutinib (LOXO-305)

>  <Synonyms> (1,512)
LY 3527727, RXC-005

>  <Form> (1,512)
Free base

>  <CAS> (1,512)
2101700-15-4

>  <URL> (1,512)
http://www.selleckchem.com/products/pirtobrutinib-loxo-305.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,513)
1617

>  <Formula> (1,513)
C16H27Cl2N5

>  <MolWeight> (1,513)
360.32508

>  <Cat> (1,513)
S9901

>  <Name> (1,513)
KB-0742 Dihydrochloride

>  <Synonyms> (1,513)
N/A

>  <Target> (1,513)
CDK

>  <Form> (1,513)
Dihydrochloride

>  <CAS> (1,513)
2416874-75-2

>  <URL> (1,513)
http://www.selleckchem.com/products/kb-0742-dihydrochloride.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,514)
1619

>  <Formula> (1,514)
C26H25N5O3

>  <MolWeight> (1,514)
455.5084

>  <Cat> (1,514)
E0041

>  <Name> (1,514)
Tolebrutinib (SAR442168)

>  <Synonyms> (1,514)
PRN2246

>  <Target> (1,514)
BTK

>  <Form> (1,514)
Free base

>  <CAS> (1,514)
1971920-73-6

>  <URL> (1,514)
http://www.selleckchem.com/products/tolebrutinib-sar442168.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,515)
1620

>  <Formula> (1,515)
C28H25F2N3OS

>  <MolWeight> (1,515)
489.5794064

>  <Cat> (1,515)
E0082

>  <Name> (1,515)
R59949

>  <Synonyms> (1,515)
N/A

>  <Target> (1,515)
Others

>  <Form> (1,515)
Free base

>  <CAS> (1,515)
120166-69-0

>  <URL> (1,515)
http://www.selleckchem.com/products/r59949.html

$$$$

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>  <Formula> (1,516)
C23H19F3N4O3

>  <MolWeight> (1,516)
456.4171696

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E0114

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Dilmapimod (SB-681323)

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GW 681323

>  <Target> (1,516)
p38 MAPK

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Free base

>  <CAS> (1,516)
444606-18-2

>  <URL> (1,516)
http://www.selleckchem.com/products/dilmapimod-sb-681323.html

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csChFnd80/09132414022D

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1622

>  <Formula> (1,517)
C20H22ClFN6O2

>  <MolWeight> (1,517)
432.8790832

>  <Cat> (1,517)
E0121

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>  <Synonyms> (1,517)
INCB-50465, IBI376

>  <Target> (1,517)
PI3K

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Free base

>  <CAS> (1,517)
1426698-88-5

>  <URL> (1,517)
http://www.selleckchem.com/products/parsaclisib-incb050465.html

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csChFnd80/09132414022D

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>  <Formula> (1,518)
C29H25FN4O5

>  <MolWeight> (1,518)
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>  <Cat> (1,518)
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>  <Name> (1,518)
XL092

>  <Synonyms> (1,518)
JUN04542

>  <Target> (1,518)
c-Met

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Free base

>  <CAS> (1,518)
2367004-54-2

>  <URL> (1,518)
http://www.selleckchem.com/products/xl092.html

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csChFnd80/09132414022D

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1042433-41-9

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1256565-36-2

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2743427-26-9

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FLT3

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923562-23-6

>  <URL> (1,530)
http://www.selleckchem.com/products/flt3-in-2.html

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TGF-beta/Smad

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>  <CAS> (1,531)
2763602-67-9

>  <URL> (1,531)
http://www.selleckchem.com/products/tgfbetari-in-3.html

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C34H43N7O2

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hVEGF-IN-1

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VEGFR

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>  <CAS> (1,532)
1637443-98-1

>  <URL> (1,532)
http://www.selleckchem.com/products/hvegf-in-1.html

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BIBX1382

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EGFR

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>  <CAS> (1,533)
196612-93-8

>  <URL> (1,533)
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casein kinase 1

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Free base

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349438-74-0

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http://www.selleckchem.com/products/way-296817.html

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PF-367

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GSK-3

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Free base

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1962178-27-3

>  <URL> (1,540)
http://www.selleckchem.com/products/pf-04802367.html

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csChFnd80/09132414022D

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1647

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C29H35N7O4

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E2821

>  <Name> (1,541)
RGB-286638 free base

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CDK

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>  <CAS> (1,541)
784210-88-4

>  <URL> (1,541)
http://www.selleckchem.com/products/rgb-286638-free-base.html

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csChFnd80/09132414022D

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GSK2983559 active metabolite

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RIP kinase

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Free base

>  <CAS> (1,542)
1423186-80-4

>  <URL> (1,542)
http://www.selleckchem.com/products/gsk2983559-active-metabolite.html

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PI3K

>  <Form> (1,543)
Free base

>  <CAS> (1,543)
901398-68-3

>  <URL> (1,543)
http://www.selleckchem.com/products/pik-108.html

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csChFnd80/09132414022D

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>  <Mol_ID> (1,544)
1650

>  <Formula> (1,544)
C16H11ClN6O3S

>  <MolWeight> (1,544)
402.81494

>  <Cat> (1,544)
E2834

>  <Name> (1,544)
Hck-IN-1

>  <Target> (1,544)
Others

>  <Form> (1,544)
Free base

>  <CAS> (1,544)
1473404-51-1

>  <URL> (1,544)
http://www.selleckchem.com/products/hck-in-1.html

$$$$

csChFnd80/09132414022D

 37 41  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,545)
1651

>  <Formula> (1,545)
C26H20F3N7O

>  <MolWeight> (1,545)
503.4785096

>  <Cat> (1,545)
E2835

>  <Name> (1,545)
NVP-BHG712 isomer

>  <Target> (1,545)
Ephrin receptor

>  <Form> (1,545)
Free base

>  <CAS> (1,545)
2245892-85-5

>  <URL> (1,545)
http://www.selleckchem.com/products/nvp-bhg712-isomer.html

$$$$

csChFnd80/09132414022D

 35 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,546)
1652

>  <Formula> (1,546)
C23H28BrN7O3S

>  <MolWeight> (1,546)
562.48252

>  <Cat> (1,546)
E2836

>  <Name> (1,546)
ALK inhibitor 1

>  <Synonyms> (1,546)
compound 17

>  <Target> (1,546)
ALK

>  <Form> (1,546)
Free base

>  <CAS> (1,546)
761436-81-1

>  <URL> (1,546)
http://www.selleckchem.com/products/alk-inhibitor-1.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,547)
1653

>  <Formula> (1,547)
C20H21F3N4O4S

>  <MolWeight> (1,547)
470.4653496

>  <Cat> (1,547)
E2837

>  <Name> (1,547)
Zabedosertib

>  <Synonyms> (1,547)
BAY 1834845

>  <Target> (1,547)
IRAK

>  <Form> (1,547)
Free base

>  <CAS> (1,547)
1931994-81-8

>  <URL> (1,547)
http://www.selleckchem.com/products/zabedosertib.html

$$$$

csChFnd80/09132414022D

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M  END
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1654

>  <Formula> (1,548)
C26H26N4O4R

>  <MolWeight> (1,548)
458.50904

>  <Cat> (1,548)
E2839

>  <Name> (1,548)
Bisindolylmaleimide VIII (acetate)

>  <Synonyms> (1,548)
Ro 31-7549 acetate

>  <Target> (1,548)
PKC

>  <Form> (1,548)
Acetate

>  <CAS> (1,548)
138516-31-1

>  <URL> (1,548)
http://www.selleckchem.com/products/bisindolylmaleimide-8--acetate-.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,549)
1655

>  <Formula> (1,549)
C26H26N6O3

>  <MolWeight> (1,549)
470.52304

>  <Cat> (1,549)
E2843

>  <Name> (1,549)
Poseltinib

>  <Synonyms> (1,549)
HM71224, LY3337641

>  <Target> (1,549)
BTK

>  <Form> (1,549)
Free base

>  <CAS> (1,549)
1353552-97-2

>  <URL> (1,549)
http://www.selleckchem.com/products/poseltinib.html

$$$$

csChFnd80/09132414022D

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C164H286N66O40

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1445179-97-4

>  <URL> (1,550)
http://www.selleckchem.com/products/d-jnki-1.html

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csChFnd80/09132414022D

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1657

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C18H20N2O2S

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328.4286

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S3406

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N/A

>  <Target> (1,551)
Haspin Kinase

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>  <CAS> (1,551)
184582-62-5

>  <URL> (1,551)
http://www.selleckchem.com/products/ldn-192960.html

$$$$

csChFnd80/09132414022D

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1658

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>  <Cat> (1,552)
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N/A

>  <Target> (1,552)
CSF-1R

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Free base

>  <CAS> (1,552)
1313407-95-2

>  <URL> (1,552)
http://www.selleckchem.com/products/arry-382.html

$$$$

csChFnd80/09132414022D

 31 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,553)
1659

>  <Formula> (1,553)
C21H21FN6O3

>  <MolWeight> (1,553)
424.4282432

>  <Cat> (1,553)
S9826

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TPX-0046

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N/A

>  <Target> (1,553)
c-RET

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Free base

>  <CAS> (1,553)
2359650-19-2

>  <URL> (1,553)
http://www.selleckchem.com/products/tpx-0046.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,554)
1660

>  <Formula> (1,554)
C24H29N5O2

>  <MolWeight> (1,554)
419.51936

>  <Cat> (1,554)
E1155

>  <Name> (1,554)
HS-276

>  <Synonyms> (1,554)
N/A

>  <Target> (1,554)
TAK1

>  <Form> (1,554)
Free base

>  <URL> (1,554)
http://www.selleckchem.com/products/hs-276.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,555)
1661

>  <Formula> (1,555)
C20H18N6O3

>  <MolWeight> (1,555)
390.39532

>  <Cat> (1,555)
E2818

>  <Name> (1,555)
MARK4 inhibitor 1

>  <Target> (1,555)
AMPK

>  <Form> (1,555)
Free base

>  <CAS> (1,555)
2271081-58-2

>  <URL> (1,555)
http://www.selleckchem.com/products/mark4-inhibitor-1.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,556)
1662

>  <Formula> (1,556)
C22H24ClN7O

>  <MolWeight> (1,556)
437.92526

>  <Cat> (1,556)
S0206

>  <Name> (1,556)
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>  <Synonyms> (1,556)
N/A

>  <Target> (1,556)
Others

>  <Form> (1,556)
Free base

>  <CAS> (1,556)
1439934-41-4

>  <URL> (1,556)
http://www.selleckchem.com/products/ctx-0294885.html

$$$$

csChFnd80/09132414022D

 33 36  0  0  0  0  0  0  0  0999 V2000
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ERK

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2055597-12-9

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https://www.selleckchem.com/products/asn007.html

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csChFnd80/09132414022D

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1666

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C24H23N5O

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Akt

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Free base

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552325-16-3

>  <URL> (1,558)
https://www.selleckchem.com/products/a-443654.html

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csChFnd80/09132414022D

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C18H19ClFN3O2

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E2370

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CDK-IN-2

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CDK inhibitor II

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CDK9

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Free base

>  <CAS> (1,559)
1269815-17-9

>  <URL> (1,559)
https://www.selleckchem.com/products/cdk-in-2.html

$$$$

csChFnd80/09132414022D

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>  <Cat> (1,560)
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p38-¦Á MAPK-IN-1

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p38 MAPK

>  <Form> (1,560)
Free base

>  <CAS> (1,560)
443913-15-3

>  <URL> (1,560)
https://www.selleckchem.com/products/p38-alpha-mapk-in-1.html

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M  END
>  <Mol_ID> (1,561)
1669

>  <Formula> (1,561)
C20H13ClF2N4O4S

>  <MolWeight> (1,561)
478.8564264

>  <Cat> (1,561)
E2375

>  <Name> (1,561)
PI3K/mTOR Inhibitor-2

>  <Target> (1,561)
PI3K, mTOR

>  <Form> (1,561)
Free base

>  <CAS> (1,561)
1848242-58-9

>  <URL> (1,561)
https://www.selleckchem.com/products/pi3k-mtor-inhibitor-2.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,562)
1670

>  <Formula> (1,562)
C17H19Cl2N5O4S

>  <MolWeight> (1,562)
460.33486

>  <Cat> (1,562)
E2404

>  <Name> (1,562)
NVP-LCQ195

>  <Synonyms> (1,562)
LCQ-195, AT9311

>  <Target> (1,562)
CDK

>  <Form> (1,562)
Free base

>  <CAS> (1,562)
902156-99-4

>  <URL> (1,562)
https://www.selleckchem.com/products/nvp-lcq195.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,563)
1671

>  <Formula> (1,563)
C28H27N7O2

>  <MolWeight> (1,563)
493.55968

>  <Cat> (1,563)
E2653

>  <Name> (1,563)
JNK-IN-7

>  <Target> (1,563)
JNK

>  <Form> (1,563)
Free base

>  <CAS> (1,563)
1408064-71-0

>  <URL> (1,563)
https://www.selleckchem.com/products/jnk-in-7.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,564)
1672

>  <Formula> (1,564)
C15H10BrN3O2S

>  <MolWeight> (1,564)
376.2278

>  <Cat> (1,564)
E2805

>  <Name> (1,564)
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>  <Target> (1,564)
FAK

>  <Form> (1,564)
Free base

>  <CAS> (1,564)
491839-65-7

>  <URL> (1,564)
https://www.selleckchem.com/products/way-320461.html

$$$$

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259870-32-1

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>  <Name> (1,566)
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>  <Target> (1,566)
DYRK

>  <Form> (1,566)
Free base

>  <CAS> (1,566)
1025821-33-3

>  <URL> (1,566)
https://www.selleckchem.com/products/gsk626616.html

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AY-20590
csChFnd80/09132414022D

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free base

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57490-73-0

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N/A

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WAY-278534
csChFnd80/09132414022D

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free base

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6320-51-0

>  <URL> (1,568)
N/A

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WAY-299369
csChFnd80/09132414022D

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N/A

>  <Target> (1,569)
AR,DNA binding,GSK-3¦Á/¦Â,MDM4 and p53

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free base

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1005078-45-4

>  <URL> (1,569)
N/A

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WAY-383270
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 16  9  2  0  0  0  0
 17 19  2  0  0  0  0
 18  5  2  0  0  0  0
 19 16  1  0  0  0  0
 20 15  2  0  0  0  0
 21 17  1  0  0  0  0
 22  6  2  0  0  0  0
 23 10  1  0  0  0  0
 24 14  1  0  0  0  0
 25 14  1  0  0  0  0
 26 18  1  0  0  0  0
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 28 24  1  0  0  0  0
 29 25  1  0  0  0  0
 30 29  1  0  0  0  0
 17 20  1  0  0  0  0
  6  4  1  0  0  0  0
 22 27  1  0  0  0  0
 30 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,570)
1679

>  <Formula> (1,570)
C23H24FN3O2S

>  <MolWeight> (1,570)
425.5189632

>  <Cat> (1,570)
P3419

>  <Name> (1,570)
WAY-383270

>  <Synonyms> (1,570)
N/A

>  <Target> (1,570)
Casein kinase 1¦Ä

>  <Form> (1,570)
free base

>  <CAS> (1,570)
1024284-84-1

>  <URL> (1,570)
N/A

$$$$
GI-566508
csChFnd80/09132414022D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.1175   -0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  1  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,571)
1680

>  <Formula> (1,571)
C17H17N3S

>  <MolWeight> (1,571)
295.40198

>  <Cat> (1,571)
P3259

>  <Name> (1,571)
GI-566508

>  <Synonyms> (1,571)
N/A

>  <Target> (1,571)
EGFR 

>  <Form> (1,571)
free base

>  <CAS> (1,571)
1164458-14-3

>  <URL> (1,571)
N/A

$$$$
WAY-107407
csChFnd80/09132414022D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.7897    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3759    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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  1  0  0  0  0
  3  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 18 20  2  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,572)
1681

>  <Formula> (1,572)
C15H12N2O3

>  <MolWeight> (1,572)
268.26738

>  <Cat> (1,572)
P3262

>  <Name> (1,572)
WAY-107407

>  <Synonyms> (1,572)
N/A

>  <Target> (1,572)
PI3K

>  <Form> (1,572)
free base

>  <CAS> (1,572)
1164469-67-3

>  <URL> (1,572)
N/A

$$$$
WAY-114506
csChFnd80/09132414022D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8658    2.3405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    3.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8241    6.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14  3  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
  6  3  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,573)
1682

>  <Formula> (1,573)
C10H18N4O4

>  <MolWeight> (1,573)
258.27432

>  <Cat> (1,573)
P3265

>  <Name> (1,573)
WAY-114506

>  <Synonyms> (1,573)
N/A

>  <Target> (1,573)
amyloid beta

>  <Form> (1,573)
free base

>  <CAS> (1,573)
1164500-43-9

>  <URL> (1,573)
N/A

$$$$
WAY-221060-A
csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
   10.3305   -6.3810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1225   -4.7565    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    4.5975   -6.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0445   -8.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -6.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7645   -6.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
  5  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,574)
1683

>  <Formula> (1,574)
C17H25NO

>  <MolWeight> (1,574)
259.3865

>  <Cat> (1,574)
P3266

>  <Name> (1,574)
WAY-221060-A

>  <Synonyms> (1,574)
N/A

>  <Target> (1,574)
hOCT1 and hOCT2,JARID1A and JARID1B

>  <Form> (1,574)
free base

>  <CAS> (1,574)
1351406-38-6

>  <URL> (1,574)
N/A

$$$$
WAY-240932
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.8221    1.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,575)
1684

>  <Formula> (1,575)
C15H11BrN2O2S

>  <MolWeight> (1,575)
363.22904

>  <Cat> (1,575)
P3269

>  <Name> (1,575)
WAY-240932

>  <Synonyms> (1,575)
N/A

>  <Target> (1,575)
serine/threonine kinase

>  <Form> (1,575)
free base

>  <CAS> (1,575)
326914-66-3

>  <URL> (1,575)
N/A

$$$$
WAY-299590
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <Synonyms> (1,576)
N/A

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InhA,p38a

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free base

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260428-61-3

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N/A

$$$$
WAY-300062
csChFnd80/09132414022D

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>  <Name> (1,577)
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>  <Synonyms> (1,577)
N/A

>  <Target> (1,577)
Anti-infection

>  <Form> (1,577)
free base

>  <CAS> (1,577)
330990-68-6

>  <URL> (1,577)
N/A

$$$$
WAY-601017
csChFnd80/09132414022D

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1687

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WAY-601017

>  <Synonyms> (1,578)
N/A

>  <Target> (1,578)
 PI3K

>  <Form> (1,578)
free base

>  <CAS> (1,578)
300375-81-9

>  <URL> (1,578)
N/A

$$$$
WAY-601035
csChFnd80/09132414022D

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>  <Mol_ID> (1,579)
1688

>  <Formula> (1,579)
C13H9N3OS

>  <MolWeight> (1,579)
255.29506

>  <Cat> (1,579)
P3427

>  <Name> (1,579)
WAY-601035

>  <Synonyms> (1,579)
N/A

>  <Target> (1,579)
 PI3K

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free base

>  <CAS> (1,579)
304645-61-2

>  <URL> (1,579)
N/A

$$$$
WAY-614915
csChFnd80/09132414022D

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1689

>  <Formula> (1,580)
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>  <MolWeight> (1,580)
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>  <Cat> (1,580)
P3452

>  <Name> (1,580)
WAY-614915

>  <Synonyms> (1,580)
N/A

>  <Target> (1,580)
Casein kinase 1¦Ä

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free base

>  <CAS> (1,580)
450394-66-8

>  <URL> (1,580)
N/A

$$$$
WAY-615029
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,581)
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>  <Formula> (1,581)
C14H15N3O4S

>  <MolWeight> (1,581)
321.3516

>  <Cat> (1,581)
P3453

>  <Name> (1,581)
WAY-615029

>  <Synonyms> (1,581)
N/A

>  <Target> (1,581)
Kinase

>  <Form> (1,581)
free base

>  <CAS> (1,581)
730945-59-2

>  <URL> (1,581)
N/A

$$$$
WAY-632613
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,582)
1691

>  <Formula> (1,582)
C15H14N2O3S

>  <MolWeight> (1,582)
302.34826

>  <Cat> (1,582)
P3476

>  <Name> (1,582)
WAY-632613

>  <Synonyms> (1,582)
N/A

>  <Target> (1,582)
p38

>  <Form> (1,582)
free base

>  <CAS> (1,582)
731816-85-6

>  <URL> (1,582)
N/A

$$$$
WAY-632896
csChFnd80/09132414022D

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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,583)
1692

>  <Formula> (1,583)
C14H13N3OS

>  <MolWeight> (1,583)
271.33752

>  <Cat> (1,583)
P3477

>  <Name> (1,583)
WAY-632896

>  <Synonyms> (1,583)
N/A

>  <Target> (1,583)
CDK9,GSK-3

>  <Form> (1,583)
free base

>  <CAS> (1,583)
784170-07-6

>  <URL> (1,583)
N/A

$$$$
WAY-632963-A
csChFnd80/09132414022D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,584)
1693

>  <Formula> (1,584)
C11H12ClN3O

>  <MolWeight> (1,584)
237.68548

>  <Cat> (1,584)
P3478

>  <Name> (1,584)
WAY-632963

>  <Synonyms> (1,584)
N/A

>  <Target> (1,584)
Aurora kinase A

>  <Form> (1,584)
free base

>  <CAS> (1,584)
900640-73-5

>  <URL> (1,584)
N/A

$$$$
WAY-633334
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  2  0  0  0  0
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 15  6  1  0  0  0  0
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 19  3  1  0  0  0  0
 20  2  1  0  0  0  0
 21  5  1  0  0  0  0
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 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,585)
1694

>  <Formula> (1,585)
C15H15N3O2S

>  <MolWeight> (1,585)
301.3635

>  <Cat> (1,585)
P3479

>  <Name> (1,585)
WAY-633334

>  <Synonyms> (1,585)
N/A

>  <Target> (1,585)
Casein kinase 1¦Ä

>  <Form> (1,585)
free base

>  <CAS> (1,585)
757224-44-5

>  <URL> (1,585)
N/A

$$$$
WAY-633877
csChFnd80/09132414022D

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>  <Mol_ID> (1,586)
1695

>  <Formula> (1,586)
C21H19N5O3

>  <MolWeight> (1,586)
389.40726

>  <Cat> (1,586)
P3480

>  <Name> (1,586)
WAY-633877

>  <Synonyms> (1,586)
N/A

>  <Target> (1,586)
Casein kinase 1¦Ä

>  <Form> (1,586)
free base

>  <CAS> (1,586)
782452-74-8

>  <URL> (1,586)
N/A

$$$$
WAY-652435
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,587)
1696

>  <Formula> (1,587)
C9H15N3O

>  <MolWeight> (1,587)
181.2349

>  <Cat> (1,587)
P3514

>  <Name> (1,587)
WAY-652435

>  <Synonyms> (1,587)
N/A

>  <Target> (1,587)
P2Y12,tankyrase,Aurora Kinase

>  <Form> (1,587)
free base

>  <CAS> (1,587)
173850-51-6

>  <URL> (1,587)
N/A

$$$$
WAY-652509
csChFnd80/09132414022D

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 10 11  1  0  0  0  0
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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,588)
1697

>  <Formula> (1,588)
C15H12ClN3

>  <MolWeight> (1,588)
269.72888

>  <Cat> (1,588)
P3515

>  <Name> (1,588)
WAY-652509

>  <Synonyms> (1,588)
N/A

>  <Target> (1,588)
quinone reductase 2,Casein kinase 1¦Ä

>  <Form> (1,588)
free base

>  <CAS> (1,588)
854355-54-7

>  <URL> (1,588)
N/A

$$$$
WAY-652641
csChFnd80/09132414022D

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  6  4  1  0  0  0  0
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 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
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 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
  3  4  2  0  0  0  0
M  END
>  <Mol_ID> (1,589)
1698

>  <Formula> (1,589)
C9H14N2O3

>  <MolWeight> (1,589)
198.21906

>  <Cat> (1,589)
P3516

>  <Name> (1,589)
WAY-652641

>  <Synonyms> (1,589)
N/A

>  <Target> (1,589)
CDK

>  <Form> (1,589)
free base

>  <CAS> (1,589)
852851-73-1

>  <URL> (1,589)
N/A

$$$$
WAY-652848
csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  2  0  0  0  0
 16  9  1  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
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 20 24  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23 12  1  0  0  0  0
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 25 21  1  0  0  0  0
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 16 14  2  0  0  0  0
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M  END
>  <Mol_ID> (1,590)
1699

>  <Formula> (1,590)
C17H17F3N2O3

>  <MolWeight> (1,590)
354.3236896

>  <Cat> (1,590)
P3517

>  <Name> (1,590)
WAY-652848

>  <Synonyms> (1,590)
N/A

>  <Target> (1,590)
SRPK kinase 

>  <Form> (1,590)
free base

>  <CAS> (1,590)
848057-98-7

>  <URL> (1,590)
N/A

$$$$
WAY-653005
csChFnd80/09132414022D

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 11  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,591)
1700

>  <Formula> (1,591)
C11H15NO

>  <MolWeight> (1,591)
177.2429

>  <Cat> (1,591)
P3518

>  <Name> (1,591)
WAY-653005

>  <Synonyms> (1,591)
N/A

>  <Target> (1,591)
others

>  <Form> (1,591)
free base

>  <CAS> (1,591)
74190-66-2

>  <URL> (1,591)
N/A

$$$$
WAY-271413
csChFnd80/09132414022D

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  6  7  2  0  0  0  0
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M  END
>  <Mol_ID> (1,592)
1701

>  <Formula> (1,592)
C20H15N3O4S

>  <MolWeight> (1,592)
393.4158

>  <Cat> (1,592)
P3282

>  <Name> (1,592)
WAY-271413

>  <Synonyms> (1,592)
N/A

>  <Target> (1,592)
GSK-3¦Â

>  <Form> (1,592)
free base

>  <CAS> (1,592)
536731-65-4

>  <URL> (1,592)
N/A

$$$$
WAY-271999
csChFnd80/09132414022D

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WAY-272130
csChFnd80/09132414022D

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N/A

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WAY-272324
csChFnd80/09132414022D

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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
csChFnd80/09132414022D

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N/A

$$$$
WAY-272589
csChFnd80/09132414022D

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637325-53-2

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N/A

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WAY-320008
csChFnd80/09132414022D

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    3.3506    1.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8540    0.4408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  9 10  2  0  0  0  0
 12 16  1  0  0  0  0
 14 18  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,598)
1707

>  <Formula> (1,598)
C20H16N4

>  <MolWeight> (1,598)
312.36784

>  <Cat> (1,598)
P3322

>  <Name> (1,598)
WAY-320008

>  <Synonyms> (1,598)
N/A

>  <Target> (1,598)
tropomyosin-related kinase a

>  <Form> (1,598)
free base

>  <CAS> (1,598)
128889-33-8

>  <URL> (1,598)
N/A

$$$$
WAY-320426
csChFnd80/09132414022D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16  3  1  0  0  0  0
 17  9  2  0  0  0  0
 18 17  1  0  0  0  0
 19  6  1  0  0  0  0
 20 18  2  0  0  0  0
  6  5  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,599)
1708

>  <Formula> (1,599)
C14H14ClN3O2

>  <MolWeight> (1,599)
291.73286

>  <Cat> (1,599)
P3326

>  <Name> (1,599)
WAY-320426

>  <Synonyms> (1,599)
N/A

>  <Target> (1,599)
Anti-infection

>  <Form> (1,599)
free base

>  <CAS> (1,599)
312601-47-1

>  <URL> (1,599)
N/A

$$$$
WAY-635767
csChFnd80/09132414022D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 10  1  0  0  0  0
  7  2  1  0  0  0  0
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  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 16  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
  3  5  1  0  0  0  0
 15 14  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,600)
1709

>  <Formula> (1,600)
C12H12ClN3O

>  <MolWeight> (1,600)
249.69618

>  <Cat> (1,600)
P3488

>  <Name> (1,600)
WAY-635767

>  <Synonyms> (1,600)
N/A

>  <Target> (1,600)
Aurora kinase A

>  <Form> (1,600)
free base

>  <CAS> (1,600)
790232-33-6

>  <URL> (1,600)
N/A

$$$$
CL-16859
csChFnd80/09132414022D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 10  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,601)
1710

>  <Formula> (1,601)
C14H20N2O2

>  <MolWeight> (1,601)
248.3208

>  <Cat> (1,601)
P3254

>  <Name> (1,601)
CL-16859

>  <Synonyms> (1,601)
N/A

>  <Target> (1,601)
Anti-infection 

>  <Form> (1,601)
free base

>  <CAS> (1,601)
438025-86-6

>  <URL> (1,601)
N/A

$$$$
WAY-320706
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.0542    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 21  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17  7  1  0  0  0  0
 18 20  1  0  0  0  0
 19 13  2  0  0  0  0
 20 17  2  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 18  1  0  0  0  0
  3  4  1  0  0  0  0
 18 14  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,602)
1711

>  <Formula> (1,602)
C13H11ClN6OS2

>  <MolWeight> (1,602)
366.84904

>  <Cat> (1,602)
P3328

>  <Name> (1,602)
WAY-320706

>  <Synonyms> (1,602)
N/A

>  <Target> (1,602)
Anti-infection, ATOH-1

>  <Form> (1,602)
free base

>  <CAS> (1,602)
370092-42-5

>  <URL> (1,602)
N/A

$$$$
WAY-320774
csChFnd80/09132414022D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
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  5  2  1  0  0  0  0
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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
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 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22 16  2  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
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 26 24  2  0  0  0  0
  7  5  2  0  0  0  0
  6  9  2  0  0  0  0
 23 22  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,603)
1712

>  <Formula> (1,603)
C19H16N4O2S

>  <MolWeight> (1,603)
364.42094

>  <Cat> (1,603)
P3329

>  <Name> (1,603)
WAY-320774

>  <Synonyms> (1,603)
N/A

>  <Target> (1,603)
Kanamycin Resistance Enzyme Eis

>  <Form> (1,603)
free base

>  <CAS> (1,603)
425653-38-9

>  <URL> (1,603)
N/A

$$$$
WAY-320951
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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   -4.3892   -0.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1591    1.0411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,604)
1713

>  <Formula> (1,604)
C14H11N3O4S

>  <MolWeight> (1,604)
317.31984

>  <Cat> (1,604)
P3330

>  <Name> (1,604)
WAY-320951

>  <Synonyms> (1,604)
N/A

>  <Target> (1,604)
Anti-infection

>  <Form> (1,604)
free base

>  <CAS> (1,604)
430444-03-4

>  <URL> (1,604)
N/A

$$$$
WAY-321002
csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.4448    0.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2655   -0.3628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
  7  9  2  0  0  0  0
 11 14  2  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,605)
1714

>  <Formula> (1,605)
C20H16N4

>  <MolWeight> (1,605)
312.36784

>  <Cat> (1,605)
P3331

>  <Name> (1,605)
WAY-321002

>  <Synonyms> (1,605)
N/A

>  <Target> (1,605)
EGFR,PDE-5,TGF-¦Â,p38-¦Á,

>  <Form> (1,605)
free base

>  <CAS> (1,605)
166039-38-9

>  <URL> (1,605)
N/A

$$$$
WAY-321364
csChFnd80/09132414022D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    0.0411   -1.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9072    0.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3106    1.0860    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
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,606)
1715

>  <Formula> (1,606)
C21H17N3O4

>  <MolWeight> (1,606)
375.37738

>  <Cat> (1,606)
P3332

>  <Name> (1,606)
WAY-321364

>  <Synonyms> (1,606)
N/A

>  <Target> (1,606)
casein kinase 2

>  <Form> (1,606)
free base

>  <CAS> (1,606)
385389-39-9

>  <URL> (1,606)
N/A

$$$$
WAY-321366
csChFnd80/09132414022D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.7105    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0209    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4170    0.1172    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,607)
1716

>  <Formula> (1,607)
C20H14ClN3O3

>  <MolWeight> (1,607)
379.79646

>  <Cat> (1,607)
P3333

>  <Name> (1,607)
WAY-321366

>  <Synonyms> (1,607)
N/A

>  <Target> (1,607)
tyrosine kinase

>  <Form> (1,607)
free base

>  <CAS> (1,607)
370854-75-4

>  <URL> (1,607)
N/A

$$$$
WAY-321582-A
csChFnd80/09132414022D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.1897    0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621   -0.1308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6793    0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6793    0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,608)
1717

>  <Formula> (1,608)
C13H11N3O

>  <MolWeight> (1,608)
225.24594

>  <Cat> (1,608)
P3334

>  <Name> (1,608)
WAY-321582-A

>  <Synonyms> (1,608)
N/A

>  <Target> (1,608)
casein kinase 2

>  <Form> (1,608)
free base

>  <CAS> (1,608)
34116-16-0

>  <URL> (1,608)
N/A

$$$$
WAY-321961
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,609)
1718

>  <Formula> (1,609)
C12H11NO3

>  <MolWeight> (1,609)
217.22064

>  <Cat> (1,609)
P3336

>  <Name> (1,609)
WAY-321961

>  <Synonyms> (1,609)
N/A

>  <Target> (1,609)
protein kinase D

>  <Form> (1,609)
free base

>  <CAS> (1,609)
370586-05-3

>  <URL> (1,609)
N/A

$$$$
WAY-322545
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  4  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,610)
1719

>  <Formula> (1,610)
C17H19ClN2O3

>  <MolWeight> (1,610)
334.79736

>  <Cat> (1,610)
P3337

>  <Name> (1,610)
WAY-322545

>  <Synonyms> (1,610)
N/A

>  <Target> (1,610)
GSK-3¦Á/¦Â

>  <Form> (1,610)
free base

>  <CAS> (1,610)
451449-70-0

>  <URL> (1,610)
N/A

$$$$
WAY-322940
csChFnd80/09132414022D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,611)
1720

>  <Formula> (1,611)
C22H20N4O4S

>  <MolWeight> (1,611)
436.4836

>  <Cat> (1,611)
P3338

>  <Name> (1,611)
WAY-322940

>  <Synonyms> (1,611)
N/A

>  <Target> (1,611)
Rho 

>  <Form> (1,611)
free base

>  <CAS> (1,611)
445267-51-6

>  <URL> (1,611)
N/A

$$$$
WAY-604116
csChFnd80/09132414022D

 20 23  0  0  0  0  0  0  0  0999 V2000
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  7 11  1  0  0  0  0
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M  END
>  <Mol_ID> (1,612)
1721

>  <Formula> (1,612)
C17H22N2O

>  <MolWeight> (1,612)
270.36938

>  <Cat> (1,612)
P3436

>  <Name> (1,612)
WAY-604116

>  <Synonyms> (1,612)
N/A

>  <Target> (1,612)
sphingosine kinase,11¦Â-hydroxysteroid dehyd

>  <Form> (1,612)
free base

>  <CAS> (1,612)
121768-39-6

>  <URL> (1,612)
N/A

$$$$
WAY-299721
csChFnd80/09132414022D

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 21 23  2  0  0  0  0
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 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
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  5  9  2  0  0  0  0
 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,613)
1722

>  <Formula> (1,613)
C18H15ClF3N5OS

>  <MolWeight> (1,613)
441.8578096

>  <Cat> (1,613)
P3306

>  <Name> (1,613)
WAY-299721

>  <Synonyms> (1,613)
N/A

>  <Target> (1,613)
SYK kinase

>  <Form> (1,613)
free base

>  <CAS> (1,613)
338427-78-4

>  <URL> (1,613)
N/A

$$$$
WAY-300385
csChFnd80/09132414022D

 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
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  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
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 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> (1,614)
1723

>  <Formula> (1,614)
C13H15N3O2S2

>  <MolWeight> (1,614)
309.4071

>  <Cat> (1,614)
P3308

>  <Name> (1,614)
WAY-300385

>  <Synonyms> (1,614)
N/A

>  <Target> (1,614)
Anti-infection

>  <Form> (1,614)
free base

>  <CAS> (1,614)
500188-71-6

>  <URL> (1,614)
N/A

$$$$
WAY-300442
csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.4034    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
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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
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 18 22  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,615)
1724

>  <Formula> (1,615)
C18H11BrN2O4

>  <MolWeight> (1,615)
399.19494

>  <Cat> (1,615)
P3309

>  <Name> (1,615)
WAY-300442

>  <Synonyms> (1,615)
N/A

>  <Target> (1,615)
ATP-kinase

>  <Form> (1,615)
free base

>  <CAS> (1,615)
333773-08-3

>  <URL> (1,615)
N/A

$$$$
WAY-384934
csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.5125   -6.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1292   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -7.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -8.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2625  -10.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0625  -10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 20  1  0  0  0  0
 25 17  1  0  0  0  0
 26 18  2  0  0  0  0
 27 26  1  0  0  0  0
 28 23  1  0  0  0  0
 29 22  2  0  0  0  0
 30 28  2  0  0  0  0
  5  3  1  0  0  0  0
 27 19  2  0  0  0  0
 17 24  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,616)
1725

>  <Formula> (1,616)
C24H22N4O2

>  <MolWeight> (1,616)
398.45708

>  <Cat> (1,616)
P3420

>  <Name> (1,616)
WAY-384934

>  <Synonyms> (1,616)
N/A

>  <Target> (1,616)
pyruvate kinase

>  <Form> (1,616)
free base

>  <CAS> (1,616)
498568-75-5

>  <URL> (1,616)
N/A

$$$$
WAY-388796
csChFnd80/09132414022D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.0333   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -0.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    1.9208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9583    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
  4  5  2  0  0  0  0
  6  8  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,617)
1726

>  <Formula> (1,617)
C11H11ClN2S

>  <MolWeight> (1,617)
238.73644

>  <Cat> (1,617)
P3421

>  <Name> (1,617)
WAY-388796

>  <Synonyms> (1,617)
N/A

>  <Target> (1,617)
PDE5,PARP-1,PDE4,LIMK1,c-Met

>  <Form> (1,617)
free base

>  <CAS> (1,617)
40106-58-9

>  <URL> (1,617)
N/A

$$$$
WAY-388798
csChFnd80/09132414022D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.1793    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793   -1.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448    2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207    0.2069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931   -1.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862    2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -1.0379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,618)
1727

>  <Formula> (1,618)
C7H5ClN2OS

>  <MolWeight> (1,618)
200.6454

>  <Cat> (1,618)
P3422

>  <Name> (1,618)
WAY-388798

>  <Synonyms> (1,618)
N/A

>  <Target> (1,618)
GPR40,histone deacetylase,mGluR5 receptor

>  <Form> (1,618)
free base

>  <CAS> (1,618)
63417-81-2

>  <URL> (1,618)
N/A

$$$$
WAY-346940
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    6.8493    4.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1377    5.4482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    1.7741    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6547    1.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1010    6.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3960    7.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,619)
1728

>  <Formula> (1,619)
C15H11ClN4O2S

>  <MolWeight> (1,619)
346.79144

>  <Cat> (1,619)
P3391

>  <Name> (1,619)
WAY-346940

>  <Synonyms> (1,619)
N/A

>  <Target> (1,619)
Rho

>  <Form> (1,619)
free base

>  <CAS> (1,619)
392246-66-1

>  <URL> (1,619)
N/A

$$$$
WAY-347243
csChFnd80/09132414022D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,620)
1729

>  <Formula> (1,620)
C11H13N3S

>  <MolWeight> (1,620)
219.30602

>  <Cat> (1,620)
P3392

>  <Name> (1,620)
WAY-347243

>  <Synonyms> (1,620)
N/A

>  <Target> (1,620)
Anti-infection

>  <Form> (1,620)
free base

>  <CAS> (1,620)
422298-69-9

>  <URL> (1,620)
N/A

$$$$
WAY-347626
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,621)
1730

>  <Formula> (1,621)
C17H15N3O3

>  <MolWeight> (1,621)
309.3193

>  <Cat> (1,621)
P3393

>  <Name> (1,621)
WAY-347626

>  <Synonyms> (1,621)
N/A

>  <Target> (1,621)
CDK2

>  <Form> (1,621)
free base

>  <CAS> (1,621)
756843-31-9

>  <URL> (1,621)
N/A

$$$$
WAY-347806
csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,622)
1731

>  <Formula> (1,622)
C17H13FN2O4S

>  <MolWeight> (1,622)
360.3595232

>  <Cat> (1,622)
P3394

>  <Name> (1,622)
WAY-347806

>  <Synonyms> (1,622)
N/A

>  <Target> (1,622)
CK2,GSK3¦Â

>  <Form> (1,622)
free base

>  <CAS> (1,622)
757198-76-8

>  <URL> (1,622)
N/A

$$$$
WAY-349858
csChFnd80/09132414022D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,623)
1733

>  <Formula> (1,623)
C15H16N2O4S

>  <MolWeight> (1,623)
320.36354

>  <Cat> (1,623)
P3398

>  <Name> (1,623)
WAY-349858

>  <Synonyms> (1,623)
N/A

>  <Target> (1,623)
c-Jun N-terminal kinase

>  <Form> (1,623)
free base

>  <CAS> (1,623)
771503-50-5

>  <URL> (1,623)
N/A

$$$$
WAY-350732
csChFnd80/09132414022D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,624)
1734

>  <Formula> (1,624)
C13H11BrN2O2S

>  <MolWeight> (1,624)
339.20764

>  <Cat> (1,624)
P3399

>  <Name> (1,624)
WAY-350732

>  <Synonyms> (1,624)
N/A

>  <Target> (1,624)
c-Jun N-terminal kinase

>  <Form> (1,624)
free base

>  <CAS> (1,624)
438602-71-2

>  <URL> (1,624)
N/A

$$$$
WAY-351429
csChFnd80/09132414022D

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 11 13  1  0  0  0  0
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 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15  8  2  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
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 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
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  4  5  1  0  0  0  0
 20 21  2  0  0  0  0
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M  END
>  <Mol_ID> (1,625)
1735

>  <Formula> (1,625)
C21H23N3O4

>  <MolWeight> (1,625)
381.42502

>  <Cat> (1,625)
P3400

>  <Name> (1,625)
WAY-351429

>  <Synonyms> (1,625)
N/A

>  <Target> (1,625)
choline kinase

>  <Form> (1,625)
free base

>  <CAS> (1,625)
451474-95-6

>  <URL> (1,625)
N/A

$$$$
WAY-351812
csChFnd80/09132414022D

 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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  9 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,626)
1737

>  <Formula> (1,626)
C15H14F3N3O3S

>  <MolWeight> (1,626)
373.3501696

>  <Cat> (1,626)
P3402

>  <Name> (1,626)
WAY-351812

>  <Synonyms> (1,626)
N/A

>  <Target> (1,626)
CDK8

>  <Form> (1,626)
free base

>  <CAS> (1,626)
471289-61-9

>  <URL> (1,626)
N/A

$$$$
WAY-352098
csChFnd80/09132414022D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,627)
1738

>  <Formula> (1,627)
C17H12F3N5O2S

>  <MolWeight> (1,627)
407.3696896

>  <Cat> (1,627)
P3403

>  <Name> (1,627)
WAY-352098

>  <Synonyms> (1,627)
N/A

>  <Target> (1,627)
PDK1,CRTH2

>  <Form> (1,627)
free base

>  <CAS> (1,627)
482643-39-0

>  <URL> (1,627)
N/A

$$$$
WAY-352753
csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,628)
1739

>  <Formula> (1,628)
C14H10ClN3OS

>  <MolWeight> (1,628)
303.7667

>  <Cat> (1,628)
P3404

>  <Name> (1,628)
WAY-352753

>  <Synonyms> (1,628)
N/A

>  <Target> (1,628)
GSK-3

>  <Form> (1,628)
free base

>  <CAS> (1,628)
478482-74-5

>  <URL> (1,628)
N/A

$$$$
WAY-353591
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,629)
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>  <Formula> (1,629)
C16H12FN3S

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>  <Name> (1,629)
WAY-353591

>  <Synonyms> (1,629)
N/A

>  <Target> (1,629)
Casein kinase 1d

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free base

>  <CAS> (1,629)
454427-09-9

>  <URL> (1,629)
N/A

$$$$
WAY-353890
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,630)
1741

>  <Formula> (1,630)
C17H13FN4O

>  <MolWeight> (1,630)
308.3097232

>  <Cat> (1,630)
P3407

>  <Name> (1,630)
WAY-353890

>  <Synonyms> (1,630)
N/A

>  <Target> (1,630)
FGFR1

>  <Form> (1,630)
free base

>  <CAS> (1,630)
459137-97-4

>  <URL> (1,630)
N/A

$$$$
WAY-354189
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,631)
1742

>  <Formula> (1,631)
C15H12Cl2N2O4S

>  <MolWeight> (1,631)
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>  <Cat> (1,631)
P3408

>  <Name> (1,631)
WAY-354189

>  <Synonyms> (1,631)
N/A

>  <Target> (1,631)
JAK-STAT

>  <Form> (1,631)
free base

>  <CAS> (1,631)
850019-35-1

>  <URL> (1,631)
N/A

$$$$
WAY-352835
csChFnd80/09132414022D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,632)
1743

>  <Formula> (1,632)
C16H15N3OS

>  <MolWeight> (1,632)
297.3748

>  <Cat> (1,632)
P3405

>  <Name> (1,632)
WAY-352835

>  <Synonyms> (1,632)
N/A

>  <Target> (1,632)
tyrosine kinase

>  <Form> (1,632)
free base

>  <CAS> (1,632)
401638-52-6

>  <URL> (1,632)
N/A

$$$$
WAY-354890
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,633)
1744

>  <Formula> (1,633)
C17H16FN3S

>  <MolWeight> (1,633)
313.3924432

>  <Cat> (1,633)
P3410

>  <Name> (1,633)
WAY-354890

>  <Synonyms> (1,633)
N/A

>  <Target> (1,633)
EGFR 

>  <Form> (1,633)
free base

>  <CAS> (1,633)
852407-49-9

>  <URL> (1,633)
N/A

$$$$
WAY-355772
csChFnd80/09132414022D

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  4  5  2  0  0  0  0
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 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,634)
1745

>  <Formula> (1,634)
C19H13F3N2O4S

>  <MolWeight> (1,634)
422.3777296

>  <Cat> (1,634)
P3411

>  <Name> (1,634)
WAY-355772

>  <Synonyms> (1,634)
N/A

>  <Target> (1,634)
serine/threonine kinase

>  <Form> (1,634)
free base

>  <CAS> (1,634)
442658-33-5

>  <URL> (1,634)
N/A

$$$$
WAY-357919
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,635)
1746

>  <Formula> (1,635)
C18H16N2O2S

>  <MolWeight> (1,635)
324.39684

>  <Cat> (1,635)
P3412

>  <Name> (1,635)
WAY-357919

>  <Synonyms> (1,635)
N/A

>  <Target> (1,635)
VEGFR

>  <Form> (1,635)
free base

>  <CAS> (1,635)
298207-77-9

>  <URL> (1,635)
N/A

$$$$
WAY-358024
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,636)
1747

>  <Formula> (1,636)
C15H11N3O3

>  <MolWeight> (1,636)
281.26614

>  <Cat> (1,636)
P3413

>  <Name> (1,636)
WAY-358024

>  <Synonyms> (1,636)
N/A

>  <Target> (1,636)
GSK-3b

>  <Form> (1,636)
free base

>  <CAS> (1,636)
70169-39-0

>  <URL> (1,636)
N/A

$$$$
WAY-358667-A
csChFnd80/09132414022D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,637)
1748

>  <Formula> (1,637)
C12H8N2S2

>  <MolWeight> (1,637)
244.33532

>  <Cat> (1,637)
P3414

>  <Name> (1,637)
WAY-358667-A

>  <Synonyms> (1,637)
N/A

>  <Target> (1,637)
Human protein kinase CK2

>  <Form> (1,637)
free base

>  <CAS> (1,637)
182198-89-6

>  <URL> (1,637)
N/A

$$$$
WAY-358981
csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 16  9  1  0  0  0  0
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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,638)
1749

>  <Formula> (1,638)
C14H12N4O

>  <MolWeight> (1,638)
252.27128

>  <Cat> (1,638)
P3415

>  <Name> (1,638)
WAY-358981

>  <Synonyms> (1,638)
N/A

>  <Target> (1,638)
sphingosine kinase

>  <Form> (1,638)
free base

>  <CAS> (1,638)
307322-32-3

>  <URL> (1,638)
N/A

$$$$
WAY-359594
csChFnd80/09132414022D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
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 13  2  1  0  0  0  0
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 10  4  2  0  0  0  0
 20 25  1  0  0  0  0
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M  END
>  <Mol_ID> (1,639)
1750

>  <Formula> (1,639)
C23H21N3O2

>  <MolWeight> (1,639)
371.43174

>  <Cat> (1,639)
P3416

>  <Name> (1,639)
WAY-359594

>  <Synonyms> (1,639)
N/A

>  <Target> (1,639)
G protein coupled receptor 6 kinase

>  <Form> (1,639)
free base

>  <CAS> (1,639)
33495-39-5

>  <URL> (1,639)
N/A

$$$$
WAY-381785
csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
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GSK3

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free base

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511239-29-5

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N/A

$$$$
WAY-313201
csChFnd80/09132414022D

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>  <Synonyms> (1,641)
N/A

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 GSK-3b

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free base

>  <CAS> (1,641)
571904-77-3

>  <URL> (1,641)
N/A

$$$$
WAY-311972
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,642)
1753

>  <Formula> (1,642)
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>  <MolWeight> (1,642)
440.28992

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P3315

>  <Name> (1,642)
WAY-311972

>  <Synonyms> (1,642)
N/A

>  <Target> (1,642)
ATP-kinases

>  <Form> (1,642)
free base

>  <CAS> (1,642)
606948-76-9

>  <URL> (1,642)
N/A

$$$$
WAY-113178
csChFnd80/09132414022D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,643)
1754

>  <Formula> (1,643)
C21H17N3O3S

>  <MolWeight> (1,643)
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>  <Name> (1,643)
WAY-113178

>  <Synonyms> (1,643)
N/A

>  <Target> (1,643)
IkB kinase-beta 

>  <Form> (1,643)
free base

>  <CAS> (1,643)
638999-98-1

>  <URL> (1,643)
N/A

$$$$
WAY-344977
csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,644)
1757

>  <Formula> (1,644)
C17H17ClN4O2S

>  <MolWeight> (1,644)
376.86048

>  <Cat> (1,644)
P3389

>  <Name> (1,644)
WAY-344977

>  <Synonyms> (1,644)
N/A

>  <Target> (1,644)
GSK-3

>  <Form> (1,644)
free base

>  <CAS> (1,644)
686743-57-7

>  <URL> (1,644)
N/A

$$$$
WAY-310507
csChFnd80/09132414022D

 18 20  0  0  0  0  0  0  0  0999 V2000
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N/A

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Anti-infection

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free base

>  <CAS> (1,645)
686743-93-1

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N/A

$$$$
WAY-310944
csChFnd80/09132414022D

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Anti-infection

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free base

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688335-53-7

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N/A

$$$$
WAY-310334
csChFnd80/09132414022D

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>  <Synonyms> (1,647)
N/A

>  <Target> (1,647)
mPGES-1,human protein kinase CK2

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free base

>  <CAS> (1,647)
688335-72-0

>  <URL> (1,647)
N/A

$$$$
WAY-310819
csChFnd80/09132414022D

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WAY-310819

>  <Synonyms> (1,648)
N/A

>  <Target> (1,648)
B-Raf

>  <Form> (1,648)
free base

>  <CAS> (1,648)
326918-98-3

>  <URL> (1,648)
N/A

$$$$
CL-59089
csChFnd80/09132414022D

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CL-59089

>  <Synonyms> (1,649)
N/A

>  <Target> (1,649)
sirtuin,Rho,CDK

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free base

>  <CAS> (1,649)
3008-61-5

>  <URL> (1,649)
N/A

$$$$
WAY-616312
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,650)
1763

>  <Formula> (1,650)
C18H16Cl2N4O4

>  <MolWeight> (1,650)
423.25004

>  <Cat> (1,650)
P3454

>  <Name> (1,650)
WAY-616312

>  <Synonyms> (1,650)
N/A

>  <Target> (1,650)
sirtuin,Rho,CDK

>  <Form> (1,650)
free base

>  <CAS> (1,650)
730946-98-2

>  <URL> (1,650)
N/A

$$$$
WAY-624687
csChFnd80/09132414022D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,651)
1764

>  <Formula> (1,651)
C13H9N5S2

>  <MolWeight> (1,651)
299.37406

>  <Cat> (1,651)
P3465

>  <Name> (1,651)
WAY-624687

>  <Synonyms> (1,651)
N/A

>  <Target> (1,651)
GSK3

>  <Form> (1,651)
free base

>  <CAS> (1,651)
753473-65-3

>  <URL> (1,651)
N/A

$$$$
WAY-333883
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11 10  1  0  0  0  0
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 23 12  1  0  0  0  0
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 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,652)
1765

>  <Formula> (1,652)
C16H16Cl2N4O

>  <MolWeight> (1,652)
351.23044

>  <Cat> (1,652)
P3382

>  <Name> (1,652)
WAY-333883

>  <Synonyms> (1,652)
N/A

>  <Target> (1,652)
pyruvate kinase

>  <Form> (1,652)
free base

>  <CAS> (1,652)
863448-35-5

>  <URL> (1,652)
N/A

$$$$
WAY-333875
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 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
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 22 14  2  0  0  0  0
 23 13  1  0  0  0  0
  7 10  2  0  0  0  0
  6  5  1  0  0  0  0
 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,653)
1766

>  <Formula> (1,653)
C16H16ClFN4O

>  <MolWeight> (1,653)
334.7758432

>  <Cat> (1,653)
P3380

>  <Name> (1,653)
WAY-333875

>  <Synonyms> (1,653)
N/A

>  <Target> (1,653)
pyruvate kinase

>  <Form> (1,653)
free base

>  <CAS> (1,653)
863448-22-0

>  <URL> (1,653)
N/A

$$$$
WAY-333878
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  2  0  0  0  0
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 19 12  1  0  0  0  0
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 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> (1,654)
1767

>  <Formula> (1,654)
C18H22N4O

>  <MolWeight> (1,654)
310.39348

>  <Cat> (1,654)
P3381

>  <Name> (1,654)
WAY-333878

>  <Synonyms> (1,654)
N/A

>  <Target> (1,654)
pyruvate kinase

>  <Form> (1,654)
free base

>  <CAS> (1,654)
863448-25-3

>  <URL> (1,654)
N/A

$$$$
WAY-329412
csChFnd80/09132414022D

 33 37  0  0  0  0  0  0  0  0999 V2000
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Abl

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free base

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N/A

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WAY-329424
csChFnd80/09132414022D

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N/A

$$$$
WAY-329686
csChFnd80/09132414022D

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free base

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943934-31-4

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N/A

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WAY-329410
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N/A

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WAY-329685
csChFnd80/09132414022D

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>  <Synonyms> (1,660)
N/A

>  <Target> (1,660)
Abl

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free base

>  <CAS> (1,660)
943934-25-6

>  <URL> (1,660)
N/A

$$$$
WAY-329423
csChFnd80/09132414022D

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>  <Synonyms> (1,661)
N/A

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Abl

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free base

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943933-49-1

>  <URL> (1,661)
N/A

$$$$
WAY-329356
csChFnd80/09132414022D

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>  <Synonyms> (1,662)
N/A

>  <Target> (1,662)
Abl

>  <Form> (1,662)
free base

>  <CAS> (1,662)
943932-17-0

>  <URL> (1,662)
N/A

$$$$
WAY-329341
csChFnd80/09132414022D

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Abl

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free base

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943931-29-1

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N/A

$$$$
WAY-329340
csChFnd80/09132414022D

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Abl

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free base

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943931-23-5

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N/A

$$$$
WAY-641918
csChFnd80/09132414022D

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WAY-641918

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N/A

>  <Target> (1,665)
TAO kinase

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free base

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850467-77-5

>  <URL> (1,665)
N/A

$$$$
WAY-278459-A
csChFnd80/09132414022D

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>  <Mol_ID> (1,666)
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>  <Formula> (1,666)
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>  <Target> (1,666)
Plasmodium falciparum Apical Membrane Antige

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free base

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105512-88-7

>  <URL> (1,666)
N/A

$$$$
WAY-278559-A
csChFnd80/09132414022D

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>  <Mol_ID> (1,667)
1781

>  <Formula> (1,667)
C17H23N3O

>  <MolWeight> (1,667)
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>  <Cat> (1,667)
P3294

>  <Name> (1,667)
WAY-278559-A

>  <Synonyms> (1,667)
N/A

>  <Target> (1,667)
ethanolamine kinase

>  <Form> (1,667)
free base

>  <CAS> (1,667)
301330-81-4

>  <URL> (1,667)
N/A

$$$$
WAY-642481
csChFnd80/09132414022D

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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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  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> (1,668)
1782

>  <Formula> (1,668)
C17H16N2OS

>  <MolWeight> (1,668)
296.38674

>  <Cat> (1,668)
P3501

>  <Name> (1,668)
WAY-642481

>  <Synonyms> (1,668)
N/A

>  <Target> (1,668)
CDK

>  <Form> (1,668)
free base

>  <CAS> (1,668)
22312-45-4

>  <URL> (1,668)
N/A

$$$$
WAY-643632-A
csChFnd80/09132414022D

 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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  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> (1,669)
1783

>  <Formula> (1,669)
C11H14N2O2

>  <MolWeight> (1,669)
206.24106

>  <Cat> (1,669)
P3502

>  <Name> (1,669)
WAY-643632-A

>  <Synonyms> (1,669)
N/A

>  <Target> (1,669)
SRC kinase,TTX-S channel

>  <Form> (1,669)
free base

>  <CAS> (1,669)
500356-88-7

>  <URL> (1,669)
N/A

$$$$
WAY-642424
csChFnd80/09132414022D

 27 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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  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 16 25  2  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  2  0  0  0  0
 20 22  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 11  1  0  0  0  0
 27 11  2  0  0  0  0
  3  5  1  0  0  0  0
 21 20  1  0  0  0  0
 16 24  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,670)
1784

>  <Formula> (1,670)
C19H14FN5OS

>  <MolWeight> (1,670)
379.4107632

>  <Cat> (1,670)
P3500

>  <Name> (1,670)
WAY-642424

>  <Synonyms> (1,670)
N/A

>  <Target> (1,670)
Casein kinase 1¦Ä

>  <Form> (1,670)
free base

>  <CAS> (1,670)
851396-73-1

>  <URL> (1,670)
N/A

$$$$
WAY-333939
csChFnd80/09132414022D

 26 29  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  6  1  0  0  0  0
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  8  5  2  0  0  0  0
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 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  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> (1,671)
1785

>  <Formula> (1,671)
C19H21N5O2

>  <MolWeight> (1,671)
351.40234

>  <Cat> (1,671)
P3384

>  <Name> (1,671)
WAY-333939

>  <Synonyms> (1,671)
N/A

>  <Target> (1,671)
Anti-infection

>  <Form> (1,671)
free base

>  <CAS> (1,671)
689268-14-2

>  <URL> (1,671)
N/A

$$$$
WAY-333908
csChFnd80/09132414022D

 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
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  4  3  1  0  0  0  0
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 25 24  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,672)
1786

>  <Formula> (1,672)
C17H12N6O2

>  <MolWeight> (1,672)
332.31618

>  <Cat> (1,672)
P3383

>  <Name> (1,672)
WAY-333908

>  <Synonyms> (1,672)
N/A

>  <Target> (1,672)
others

>  <Form> (1,672)
free base

>  <CAS> (1,672)
689269-24-7

>  <URL> (1,672)
N/A

$$$$
WAY-333945
csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (1,673)
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351.38242

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>  <Name> (1,673)
WAY-333945

>  <Synonyms> (1,673)
N/A

>  <Target> (1,673)
Anti-infection

>  <Form> (1,673)
free base

>  <CAS> (1,673)
689273-45-8

>  <URL> (1,673)
N/A

$$$$
WAY-616584
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,674)
1788

>  <Formula> (1,674)
C16H13N3O2S

>  <MolWeight> (1,674)
311.35832

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P3455

>  <Name> (1,674)
WAY-616584

>  <Synonyms> (1,674)
N/A

>  <Target> (1,674)
Casein kinase 1¦Ä

>  <Form> (1,674)
free base

>  <CAS> (1,674)
695223-53-1

>  <URL> (1,674)
N/A

$$$$
WAY-625530
csChFnd80/09132414022D

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>  <Mol_ID> (1,675)
1789

>  <Formula> (1,675)
C22H18ClFN2O3

>  <MolWeight> (1,675)
412.8413232

>  <Cat> (1,675)
P3466

>  <Name> (1,675)
WAY-625530

>  <Synonyms> (1,675)
N/A

>  <Target> (1,675)
FGFR1

>  <Form> (1,675)
free base

>  <CAS> (1,675)
956782-57-3

>  <URL> (1,675)
N/A

$$$$
WAY-625741
csChFnd80/09132414022D

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>  <Mol_ID> (1,676)
1790

>  <Formula> (1,676)
C16H13N3O4S

>  <MolWeight> (1,676)
343.35712

>  <Cat> (1,676)
P3467

>  <Name> (1,676)
WAY-625741

>  <Synonyms> (1,676)
N/A

>  <Target> (1,676)
Casein kinase 1d

>  <Form> (1,676)
free base

>  <CAS> (1,676)
756857-71-3

>  <URL> (1,676)
N/A

$$$$
WAY-626116
csChFnd80/09132414022D

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N/A

>  <Target> (1,677)
Casein kinase 1d

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free base

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753468-25-6

>  <URL> (1,677)
N/A

$$$$
WAY-273170
csChFnd80/09132414022D

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WAY-273170

>  <Synonyms> (1,678)
N/A

>  <Target> (1,678)
Myt1

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free base

>  <CAS> (1,678)
478247-52-8

>  <URL> (1,678)
N/A

$$$$
WAY-277054
csChFnd80/09132414022D

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>  <Mol_ID> (1,679)
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P3290

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WAY-277054

>  <Synonyms> (1,679)
N/A

>  <Target> (1,679)
tyrosine kinase

>  <Form> (1,679)
free base

>  <CAS> (1,679)
753467-39-9?

>  <URL> (1,679)
N/A

$$$$
WAY-336715
csChFnd80/09132414022D

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>  <Formula> (1,680)
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WAY-336715

>  <Synonyms> (1,680)
N/A

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CDK8

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free base

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451458-32-5

>  <URL> (1,680)
N/A

$$$$
WAY-337647
csChFnd80/09132414022D

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>  <Mol_ID> (1,681)
1795

>  <Formula> (1,681)
C15H12ClNO4

>  <MolWeight> (1,681)
305.71308

>  <Cat> (1,681)
P3387

>  <Name> (1,681)
WAY-337647

>  <Synonyms> (1,681)
N/A

>  <Target> (1,681)
f mitogen-activated protein kinase kinase 4

>  <Form> (1,681)
free base

>  <CAS> (1,681)
1402605-80-4

>  <URL> (1,681)
N/A

$$$$
WAY-612453
csChFnd80/09132414022D

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N/A

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Anti-infection

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free base

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300809-10-3

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N/A

$$$$
WAY-612622
csChFnd80/09132414022D

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CDK

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free base

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288401-60-5

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N/A

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WAY-612698
csChFnd80/09132414022D

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Mycobacterium tuberculosis shikimate kinase

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free base

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565191-45-9

>  <URL> (1,684)
N/A

$$$$
WAY-630308
csChFnd80/09132414022D

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Casein kinase 1¦Ä

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free base

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326034-30-4

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N/A

$$$$
WAY-630363
csChFnd80/09132414022D

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Casein kinase 1¦Ä

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free base

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729579-66-2

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N/A

$$$$
WAY-647361
csChFnd80/09132414022D

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 PI3K

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free base

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852399-94-1

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N/A

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WAY-647636
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WAY-647636

>  <Synonyms> (1,688)
N/A

>  <Target> (1,688)
Casein kinase 1¦Ä

>  <Form> (1,688)
free base

>  <CAS> (1,688)
556055-08-4

>  <URL> (1,688)
N/A

$$$$
WAY-647729
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,689)
1803

>  <Formula> (1,689)
C16H11N3OS

>  <MolWeight> (1,689)
293.34304

>  <Cat> (1,689)
P3506

>  <Name> (1,689)
WAY-647729

>  <Synonyms> (1,689)
N/A

>  <Target> (1,689)
CDK

>  <Form> (1,689)
free base

>  <CAS> (1,689)
852678-17-2

>  <URL> (1,689)
N/A

$$$$
WAY-647766
csChFnd80/09132414022D

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>  <Mol_ID> (1,690)
1804

>  <Formula> (1,690)
C16H12N6S

>  <MolWeight> (1,690)
320.37168

>  <Cat> (1,690)
P3507

>  <Name> (1,690)
WAY-647766

>  <Synonyms> (1,690)
N/A

>  <Target> (1,690)
Casein kinase 1¦Ä

>  <Form> (1,690)
free base

>  <CAS> (1,690)
851168-98-4

>  <URL> (1,690)
N/A

$$$$
WAY-647802
csChFnd80/09132414022D

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>  <Mol_ID> (1,691)
1805

>  <Formula> (1,691)
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>  <MolWeight> (1,691)
250.25386

>  <Cat> (1,691)
P3508

>  <Name> (1,691)
WAY-647802

>  <Synonyms> (1,691)
N/A

>  <Target> (1,691)
EGFR,CDK4 and 6

>  <Form> (1,691)
free base

>  <CAS> (1,691)
852225-20-8

>  <URL> (1,691)
N/A

$$$$
WAY-648936
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,692)
1806

>  <Formula> (1,692)
C13H10N4O

>  <MolWeight> (1,692)
238.2447

>  <Cat> (1,692)
P3509

>  <Name> (1,692)
WAY-648936

>  <Synonyms> (1,692)
N/A

>  <Target> (1,692)
CDK

>  <Form> (1,692)
free base

>  <CAS> (1,692)
796888-73-8

>  <URL> (1,692)
N/A

$$$$
WAY-649123
csChFnd80/09132414022D

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WL-300778
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260428-69-1

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2362-25-6

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WAY-311066
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WAY-312567
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   -2.9101    0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6105   -0.5140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  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> (1,699)
1814

>  <Formula> (1,699)
C16H20N2O2S

>  <MolWeight> (1,699)
304.4072

>  <Cat> (1,699)
P3317

>  <Name> (1,699)
WAY-312567

>  <Synonyms> (1,699)
N/A

>  <Target> (1,699)
Anti-infection

>  <Form> (1,699)
free base

>  <CAS> (1,699)
330955-59-4

>  <URL> (1,699)
N/A

$$$$
WAY-312157
csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.7172    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2655    1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2828   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,700)
1815

>  <Formula> (1,700)
C14H18N2O2S

>  <MolWeight> (1,700)
278.36992

>  <Cat> (1,700)
P3316

>  <Name> (1,700)
WAY-312157

>  <Synonyms> (1,700)
N/A

>  <Target> (1,700)
ATP-utilizing enzyme

>  <Form> (1,700)
free base

>  <CAS> (1,700)
354544-70-0

>  <URL> (1,700)
N/A

$$$$
WAY-114228
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2833    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2833    2.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    2.8115    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   12.1682    2.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  3  5  1  0  0  0  0
 13 14  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,701)
1816

>  <Formula> (1,701)
C21H23NO

>  <MolWeight> (1,701)
305.41342

>  <Cat> (1,701)
P3264

>  <Name> (1,701)
WAY-114228

>  <Synonyms> (1,701)
N/A

>  <Target> (1,701)
MEK1

>  <Form> (1,701)
free base

>  <CAS> (1,701)
333325-96-5

>  <URL> (1,701)
N/A

$$$$
WAY-248134
csChFnd80/09132414022D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.7759   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6379    0.8138    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
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  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
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 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,702)
1817

>  <Formula> (1,702)
C10H11N3OS

>  <MolWeight> (1,702)
221.27884

>  <Cat> (1,702)
P3270

>  <Name> (1,702)
WAY-248134

>  <Synonyms> (1,702)
N/A

>  <Target> (1,702)
LIMK1£¬IKK¦Â

>  <Form> (1,702)
free base

>  <CAS> (1,702)
67795-42-0

>  <URL> (1,702)
N/A

$$$$
WAY-296818
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.2207    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0379   -2.3276    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
  6  9  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
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,703)
1818

>  <Formula> (1,703)
C17H16N2O2S

>  <MolWeight> (1,703)
312.38614

>  <Cat> (1,703)
P3297

>  <Name> (1,703)
WAY-296818

>  <Synonyms> (1,703)
N/A

>  <Target> (1,703)
casein kinase 1

>  <Form> (1,703)
free base

>  <CAS> (1,703)
349438-77-3

>  <URL> (1,703)
N/A

$$$$
WAY-271147
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.4875    7.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2208    7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13 10  2  0  0  0  0
 14 21  1  0  0  0  0
 15 14  1  0  0  0  0
 16  6  2  0  0  0  0
 17 15  2  0  0  0  0
 18  9  2  0  0  0  0
 19  9  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22  8  2  0  0  0  0
 23 15  1  0  0  0  0
  5  4  2  0  0  0  0
 22 13  1  0  0  0  0
 20 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,704)
1820

>  <Formula> (1,704)
C17H12N2O4

>  <MolWeight> (1,704)
308.28818

>  <Cat> (1,704)
P3281

>  <Name> (1,704)
WAY-271147

>  <Synonyms> (1,704)
N/A

>  <Target> (1,704)
VEGFR

>  <Form> (1,704)
free base

>  <CAS> (1,704)
683235-34-9

>  <URL> (1,704)
N/A

$$$$
WAY-600632
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,705)
1821

>  <Formula> (1,705)
C14H9N3O2S2

>  <MolWeight> (1,705)
315.37016

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P3423

>  <Name> (1,705)
WAY-600632

>  <Synonyms> (1,705)
N/A

>  <Target> (1,705)
Casein kinase 1¦Ä

>  <Form> (1,705)
free base

>  <CAS> (1,705)
438018-70-3

>  <URL> (1,705)
N/A

$$$$
WAY-601258
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,706)
1822

>  <Formula> (1,706)
C13H12N4OS2

>  <MolWeight> (1,706)
304.39058

>  <Cat> (1,706)
P3428

>  <Name> (1,706)
WAY-601258

>  <Synonyms> (1,706)
N/A

>  <Target> (1,706)
Anti-infection

>  <Form> (1,706)
free base

>  <CAS> (1,706)
496023-52-0

>  <URL> (1,706)
N/A

$$$$
WAY-601323
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,707)
1823

>  <Formula> (1,707)
C16H18N4O2

>  <MolWeight> (1,707)
298.33972

>  <Cat> (1,707)
P3429

>  <Name> (1,707)
WAY-601323

>  <Synonyms> (1,707)
N/A

>  <Target> (1,707)
CDK9 

>  <Form> (1,707)
free base

>  <CAS> (1,707)
324778-48-5

>  <URL> (1,707)
N/A

$$$$
WAY-600704-A
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,708)
1824

>  <Formula> (1,708)
C17H22N2O

>  <MolWeight> (1,708)
270.36938

>  <Cat> (1,708)
P3424

>  <Name> (1,708)
WAY-600704

>  <Synonyms> (1,708)
N/A

>  <Target> (1,708)
ethanolamine kinase

>  <Form> (1,708)
free base

>  <CAS> (1,708)
301330-94-9

>  <URL> (1,708)
N/A

$$$$
WAY-600868
csChFnd80/09132414022D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,709)
1825

>  <Formula> (1,709)
C13H9FN2S

>  <MolWeight> (1,709)
244.2873632

>  <Cat> (1,709)
P3425

>  <Name> (1,709)
WAY-600868

>  <Synonyms> (1,709)
N/A

>  <Target> (1,709)
FGFR3

>  <Form> (1,709)
free base

>  <CAS> (1,709)
348-45-8

>  <URL> (1,709)
N/A

$$$$
CL-104773
csChFnd80/09132414022D

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  5  9  2  0  0  0  0
  6 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  2  0  0  0  0
 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> (1,710)
1826

>  <Formula> (1,710)
C17H14N2O

>  <MolWeight> (1,710)
262.30586

>  <Cat> (1,710)
P3253

>  <Name> (1,710)
CL-104773

>  <Synonyms> (1,710)
N/A

>  <Target> (1,710)
TLR, JAK2, fatty acid amide hydrolase

>  <Form> (1,710)
free base

>  <CAS> (1,710)
802980-92-3

>  <URL> (1,710)
N/A

$$$$
WAY-269040
csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
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 22 18  2  0  0  0  0
 23 17  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
  2  3  1  0  0  0  0
  9  7  1  0  0  0  0
 24 19  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,711)
1827

>  <Formula> (1,711)
C20H23N3OS

>  <MolWeight> (1,711)
353.48112

>  <Cat> (1,711)
P3271

>  <Name> (1,711)
WAY-269040

>  <Synonyms> (1,711)
N/A

>  <Target> (1,711)
Anti-infection

>  <Form> (1,711)
free base

>  <CAS> (1,711)
846065-09-6

>  <URL> (1,711)
N/A

$$$$
WAY-339696
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8875   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0292   -3.5667    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  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 19  1  0  0  0  0
 19 11  2  0  0  0  0
 20 18  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  2  0  0  0  0
  7  6  2  0  0  0  0
 22 21  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,712)
1828

>  <Formula> (1,712)
C16H11BrN2O3

>  <MolWeight> (1,712)
359.17414

>  <Cat> (1,712)
P3388

>  <Name> (1,712)
WAY-339696

>  <Synonyms> (1,712)
N/A

>  <Target> (1,712)
 EGFR-T790M/L858R

>  <Form> (1,712)
free base

>  <CAS> (1,712)
333419-97-9

>  <URL> (1,712)
N/A

$$$$
WAY-349290
csChFnd80/09132414022D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,713)
1829

>  <Formula> (1,713)
C12H7ClN2OS

>  <MolWeight> (1,713)
262.71478

>  <Cat> (1,713)
P3396

>  <Name> (1,713)
WAY-349290

>  <Synonyms> (1,713)
N/A

>  <Target> (1,713)
Pim,MCH receptor

>  <Form> (1,713)
free base

>  <CAS> (1,713)
215928-66-8

>  <URL> (1,713)
N/A

$$$$
WAY-613473
csChFnd80/09132414022D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    0.1687    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3624    0.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1790   -1.0758    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
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  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
 10 16  2  0  0  0  0
 10 17  2  0  0  0  0
 11 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 21  2  0  0  0  0
 15 22  1  0  0  0  0
 15 23  2  0  0  0  0
 19 24  2  0  0  0  0
 19 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  0  0  0  0
  7  9  1  0  0  0  0
 18 21  1  0  0  0  0
 20 24  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,714)
1830

>  <Formula> (1,714)
C20H16N4O3S

>  <MolWeight> (1,714)
392.43104

>  <Cat> (1,714)
P3450

>  <Name> (1,714)
WAY-613473

>  <Synonyms> (1,714)
N/A

>  <Target> (1,714)
HIV,JAK-2,PI3K

>  <Form> (1,714)
free base

>  <CAS> (1,714)
301357-74-4

>  <URL> (1,714)
N/A

$$$$
WAY-613991
csChFnd80/09132414022D

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.5917   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5500    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4083    0.3333    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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1831

>  <Formula> (1,715)
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>  <Name> (1,715)
WAY-613991

>  <Synonyms> (1,715)
N/A

>  <Target> (1,715)
Casein kinase 1d

>  <Form> (1,715)
free base

>  <CAS> (1,715)
565167-37-5

>  <URL> (1,715)
N/A

$$$$
WAY-630998
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,716)
1832

>  <Formula> (1,716)
C21H22N4O

>  <MolWeight> (1,716)
346.42558

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>  <Name> (1,716)
WAY-630998

>  <Synonyms> (1,716)
N/A

>  <Target> (1,716)
p38a

>  <Form> (1,716)
free base

>  <CAS> (1,716)
251106-30-6

>  <URL> (1,716)
N/A

$$$$
WAY-631127
csChFnd80/09132414022D

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1833

>  <Formula> (1,717)
C24H18ClN3O3

>  <MolWeight> (1,717)
431.87102

>  <Cat> (1,717)
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>  <Name> (1,717)
WAY-631127

>  <Synonyms> (1,717)
N/A

>  <Target> (1,717)
Casein kinase 1¦Ä

>  <Form> (1,717)
free base

>  <CAS> (1,717)
756849-12-4

>  <URL> (1,717)
N/A

$$$$
WAY-631545
csChFnd80/09132414022D

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>  <Mol_ID> (1,718)
1834

>  <Formula> (1,718)
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>  <MolWeight> (1,718)
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>  <Cat> (1,718)
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>  <Name> (1,718)
WAY-631545

>  <Synonyms> (1,718)
N/A

>  <Target> (1,718)
others

>  <Form> (1,718)
free base

>  <CAS> (1,718)
681260-56-0

>  <URL> (1,718)
N/A

$$$$
WAY-632021
csChFnd80/09132414022D

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>  <Mol_ID> (1,719)
1835

>  <Formula> (1,719)
C13H10ClN3S

>  <MolWeight> (1,719)
275.7566

>  <Cat> (1,719)
P3474

>  <Name> (1,719)
WAY-632021

>  <Synonyms> (1,719)
N/A

>  <Target> (1,719)
TIE-2,Raf,phosphodiesterase V

>  <Form> (1,719)
free base

>  <CAS> (1,719)
742094-64-0

>  <URL> (1,719)
N/A

$$$$
WAY-632323
csChFnd80/09132414022D

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M  END
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>  <Formula> (1,720)
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>  <Name> (1,720)
WAY-632323

>  <Synonyms> (1,720)
N/A

>  <Target> (1,720)
Casein kinase 1¦Ä

>  <Form> (1,720)
free base

>  <CAS> (1,720)
782457-22-1

>  <URL> (1,720)
N/A

$$$$
WAY-650313
csChFnd80/09132414022D

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M  END
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1837

>  <Formula> (1,721)
C23H18FN3O

>  <MolWeight> (1,721)
371.4069232

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P3511

>  <Name> (1,721)
WAY-650313

>  <Synonyms> (1,721)
N/A

>  <Target> (1,721)
Casein kinase 1¦Ä

>  <Form> (1,721)
free base

>  <CAS> (1,721)
847772-08-1

>  <URL> (1,721)
N/A

$$$$
WAY-650886
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,722)
1838

>  <Formula> (1,722)
C19H16N4O2

>  <MolWeight> (1,722)
332.35594

>  <Cat> (1,722)
P3512

>  <Name> (1,722)
WAY-650886

>  <Synonyms> (1,722)
N/A

>  <Target> (1,722)
Casein kinase 1¦Ä

>  <Form> (1,722)
free base

>  <CAS> (1,722)
848066-61-5

>  <URL> (1,722)
N/A

$$$$
WAY-651445
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,723)
1839

>  <Formula> (1,723)
C18H13N3O2S

>  <MolWeight> (1,723)
335.37972

>  <Cat> (1,723)
P3513

>  <Name> (1,723)
WAY-651445

>  <Synonyms> (1,723)
N/A

>  <Target> (1,723)
LIMK1£¬IkB

>  <Form> (1,723)
free base

>  <CAS> (1,723)
848289-47-4

>  <URL> (1,723)
N/A

$$$$
GI-555736
csChFnd80/09132414022D

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>  <Mol_ID> (1,724)
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>  <Formula> (1,724)
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>  <MolWeight> (1,724)
208.25848

>  <Cat> (1,724)
P3257

>  <Name> (1,724)
GI-555736

>  <Synonyms> (1,724)
N/A

>  <Target> (1,724)
PDGFR

>  <Form> (1,724)
free base

>  <CAS> (1,724)
848342-16-5

>  <URL> (1,724)
N/A

$$$$
WAY-270318
csChFnd80/09132414022D

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 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,725)
1841

>  <Formula> (1,725)
C14H14N4OS

>  <MolWeight> (1,725)
286.35216

>  <Cat> (1,725)
P3272

>  <Name> (1,725)
WAY-270318

>  <Synonyms> (1,725)
N/A

>  <Target> (1,725)
protein kinase

>  <Form> (1,725)
free base

>  <CAS> (1,725)
721964-48-3

>  <URL> (1,725)
N/A

$$$$
WAY-270329
csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,726)
1842

>  <Formula> (1,726)
C21H18FN5O2S

>  <MolWeight> (1,726)
423.4633232

>  <Cat> (1,726)
P3273

>  <Name> (1,726)
WAY-270329

>  <Synonyms> (1,726)
N/A

>  <Target> (1,726)
protein kinase

>  <Form> (1,726)
free base

>  <CAS> (1,726)
721964-51-8

>  <URL> (1,726)
N/A

$$$$
WAY-270444
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.2276   -1.3207    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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  4  9  1  0  0  0  0
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 11 15  1  0  0  0  0
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 14 18  2  0  0  0  0
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M  END
>  <Mol_ID> (1,727)
1843

>  <Formula> (1,727)
C17H16N2O3

>  <MolWeight> (1,727)
296.32054

>  <Cat> (1,727)
P3275

>  <Name> (1,727)
WAY-270444

>  <Synonyms> (1,727)
N/A

>  <Target> (1,727)
Hsp90,PDK4,PPAR

>  <Form> (1,727)
free base

>  <CAS> (1,727)
394237-61-7

>  <URL> (1,727)
N/A

$$$$
WAY-270966
csChFnd80/09132414022D

 23 25  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
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 10 14  1  0  0  0  0
 11  8  1  0  0  0  0
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 14  9  1  0  0  0  0
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 22  7  1  0  0  0  0
 23 22  1  0  0  0  0
  3  7  1  0  0  0  0
 11  6  2  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,728)
1844

>  <Formula> (1,728)
C16H14BrN3OS2

>  <MolWeight> (1,728)
408.33586

>  <Cat> (1,728)
P3278

>  <Name> (1,728)
WAY-270966

>  <Synonyms> (1,728)
N/A

>  <Target> (1,728)
p38

>  <Form> (1,728)
free base

>  <CAS> (1,728)
421578-44-1

>  <URL> (1,728)
N/A

$$$$
WAY-270968
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
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 13  9  1  0  0  0  0
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 18  4  1  0  0  0  0
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 22  5  1  0  0  0  0
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  6  8  2  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,729)
1845

>  <Formula> (1,729)
C16H13FN2OS2

>  <MolWeight> (1,729)
332.4156232

>  <Cat> (1,729)
P3279

>  <Name> (1,729)
WAY-270968

>  <Synonyms> (1,729)
N/A

>  <Target> (1,729)
p38

>  <Form> (1,729)
free base

>  <CAS> (1,729)
421578-46-3

>  <URL> (1,729)
N/A

$$$$
WAY-320509
csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
 16 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,730)
1846

>  <Formula> (1,730)
C18H17N3O2S

>  <MolWeight> (1,730)
339.41148

>  <Cat> (1,730)
P3327

>  <Name> (1,730)
WAY-320509

>  <Synonyms> (1,730)
N/A

>  <Target> (1,730)
Anti-infection,CDK8

>  <Form> (1,730)
free base

>  <CAS> (1,730)
314035-54-6

>  <URL> (1,730)
N/A

$$$$
WAY-320049
csChFnd80/09132414022D

 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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  3  8  1  0  0  0  0
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  6 10  2  0  0  0  0
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M  END
>  <Mol_ID> (1,731)
1847

>  <Formula> (1,731)
C13H17NO3S

>  <MolWeight> (1,731)
267.34398

>  <Cat> (1,731)
P3323

>  <Name> (1,731)
WAY-320049

>  <Synonyms> (1,731)
N/A

>  <Target> (1,731)
others

>  <Form> (1,731)
free base

>  <CAS> (1,731)
298193-11-0

>  <URL> (1,731)
N/A

$$$$
WAY-320080
csChFnd80/09132414022D

 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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   -0.5000   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1311   -2.6971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5656    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6758   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6  9  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,732)
1848

>  <Formula> (1,732)
C14H13N3O2S

>  <MolWeight> (1,732)
287.33692

>  <Cat> (1,732)
P3324

>  <Name> (1,732)
WAY-320080

>  <Synonyms> (1,732)
N/A

>  <Target> (1,732)
glucokinase,heat shock protein 90

>  <Form> (1,732)
free base

>  <CAS> (1,732)
349549-38-8

>  <URL> (1,732)
N/A

$$$$
WAY-320081
csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.8747   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
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  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,733)
1849

>  <Formula> (1,733)
C14H13N3O2S

>  <MolWeight> (1,733)
287.33692

>  <Cat> (1,733)
P3325

>  <Name> (1,733)
WAY-320081

>  <Synonyms> (1,733)
N/A

>  <Target> (1,733)
glucokinase,heat shock protein 90

>  <Form> (1,733)
free base

>  <CAS> (1,733)
66780-67-4

>  <URL> (1,733)
N/A

$$$$
WAY-602219
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  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> (1,734)
1850

>  <Formula> (1,734)
C14H12N2O3S2

>  <MolWeight> (1,734)
320.38668

>  <Cat> (1,734)
P3430

>  <Name> (1,734)
WAY-602219

>  <Synonyms> (1,734)
N/A

>  <Target> (1,734)
Trypanosoma brucei hexokinase 

>  <Form> (1,734)
free base

>  <CAS> (1,734)
378197-09-2

>  <URL> (1,734)
N/A

$$$$
WAY-602746
csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  6  2  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  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
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 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> (1,735)
1851

>  <Formula> (1,735)
C20H16N4O

>  <MolWeight> (1,735)
328.36724

>  <Cat> (1,735)
P3431

>  <Name> (1,735)
WAY-602746

>  <Synonyms> (1,735)
N/A

>  <Target> (1,735)
ROS 

>  <Form> (1,735)
free base

>  <CAS> (1,735)
370096-57-4

>  <URL> (1,735)
N/A

$$$$
WAY-603264
csChFnd80/09132414022D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,736)
1852

>  <Formula> (1,736)
C8H12N2OS

>  <MolWeight> (1,736)
184.25868

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P3432

>  <Name> (1,736)
WAY-603264

>  <Synonyms> (1,736)
N/A

>  <Target> (1,736)
adenosine kinase

>  <Form> (1,736)
free base

>  <CAS> (1,736)
58350-40-6

>  <URL> (1,736)
N/A

$$$$
WAY-603359
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,737)
1853

>  <Formula> (1,737)
C10H12ClN3O2

>  <MolWeight> (1,737)
241.67418

>  <Cat> (1,737)
P3433

>  <Name> (1,737)
WAY-603359

>  <Synonyms> (1,737)
N/A

>  <Target> (1,737)
p38

>  <Form> (1,737)
free base

>  <CAS> (1,737)
329268-90-8

>  <URL> (1,737)
N/A

$$$$
WAY-634931
csChFnd80/09132414022D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,738)
1854

>  <Formula> (1,738)
C10H14O2

>  <MolWeight> (1,738)
166.21696

>  <Cat> (1,738)
P3482

>  <Name> (1,738)
WAY-634931

>  <Synonyms> (1,738)
N/A

>  <Target> (1,738)
GSK3,ROR gamma,CETP,metabotropic glutamate r

>  <Form> (1,738)
free base

>  <CAS> (1,738)
82683-51-0

>  <URL> (1,738)
N/A

$$$$
WAY-634964
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,739)
1855

>  <Formula> (1,739)
C9H7N3O2

>  <MolWeight> (1,739)
189.17078

>  <Cat> (1,739)
P3483

>  <Name> (1,739)
WAY-634964

>  <Synonyms> (1,739)
N/A

>  <Target> (1,739)
tyrosine kinase

>  <Form> (1,739)
free base

>  <CAS> (1,739)
157842-34-7

>  <URL> (1,739)
N/A

$$$$
WAY-634704
csChFnd80/09132414022D

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 10  1  1  0  0  0  0
 11  6  2  0  0  0  0
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 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
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 17  9  2  0  0  0  0
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 20  8  1  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,740)
1856

>  <Formula> (1,740)
C13H13ClN2O5S

>  <MolWeight> (1,740)
344.77072

>  <Cat> (1,740)
P3481

>  <Name> (1,740)
WAY-634704

>  <Synonyms> (1,740)
N/A

>  <Target> (1,740)
Aurora kinase A

>  <Form> (1,740)
free base

>  <CAS> (1,740)
781619-26-9

>  <URL> (1,740)
N/A

$$$$
WAY-635109
csChFnd80/09132414022D

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 12  2  1  0  0  0  0
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 15  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,741)
1857

>  <Formula> (1,741)
C13H9N3O2S

>  <MolWeight> (1,741)
271.29446

>  <Cat> (1,741)
P3484

>  <Name> (1,741)
WAY-635109

>  <Synonyms> (1,741)
N/A

>  <Target> (1,741)
B-Raf

>  <Form> (1,741)
free base

>  <CAS> (1,741)
781622-25-1

>  <URL> (1,741)
N/A

$$$$
WAY-635114
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,742)
1858

>  <Formula> (1,742)
C13H11N3OS

>  <MolWeight> (1,742)
257.31094

>  <Cat> (1,742)
P3485

>  <Name> (1,742)
WAY-635114

>  <Synonyms> (1,742)
N/A

>  <Target> (1,742)
B-Raf

>  <Form> (1,742)
free base

>  <CAS> (1,742)
781622-52-4

>  <URL> (1,742)
N/A

$$$$
WAY-635319
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,743)
1859

>  <Formula> (1,743)
C16H14N2O3

>  <MolWeight> (1,743)
282.29396

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>  <Name> (1,743)
WAY-635319

>  <Synonyms> (1,743)
N/A

>  <Target> (1,743)
CDK

>  <Form> (1,743)
free base

>  <CAS> (1,743)
763098-07-3

>  <URL> (1,743)
N/A

$$$$
WAY-603610
csChFnd80/09132414022D

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 11  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,744)
1860

>  <Formula> (1,744)
C17H19N3OS

>  <MolWeight> (1,744)
313.41726

>  <Cat> (1,744)
P3434

>  <Name> (1,744)
WAY-603610

>  <Synonyms> (1,744)
N/A

>  <Target> (1,744)
GSK3

>  <Form> (1,744)
free base

>  <CAS> (1,744)
380450-97-5

>  <URL> (1,744)
N/A

$$$$
WAY-603814
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,745)
1861

>  <Formula> (1,745)
C16H13ClN2O3

>  <MolWeight> (1,745)
316.73902

>  <Cat> (1,745)
P3435

>  <Name> (1,745)
WAY-603814

>  <Synonyms> (1,745)
N/A

>  <Target> (1,745)
FGFR1, HSP 90 

>  <Form> (1,745)
free base

>  <CAS> (1,745)
308298-51-3

>  <URL> (1,745)
N/A

$$$$
WAY-636900
csChFnd80/09132414022D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,746)
1862

>  <Formula> (1,746)
C20H20N4O5S

>  <MolWeight> (1,746)
428.4616

>  <Cat> (1,746)
P3489

>  <Name> (1,746)
WAY-636900

>  <Synonyms> (1,746)
N/A

>  <Target> (1,746)
Aurora kinase A

>  <Form> (1,746)
free base

>  <CAS> (1,746)
792965-51-6

>  <URL> (1,746)
N/A

$$$$
WAY-636982
csChFnd80/09132414022D

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>  <Mol_ID> (1,747)
1863

>  <Formula> (1,747)
C10H14N2O4

>  <MolWeight> (1,747)
226.22916

>  <Cat> (1,747)
P3490

>  <Name> (1,747)
WAY-636982

>  <Synonyms> (1,747)
N/A

>  <Target> (1,747)
Aurora kinase A

>  <Form> (1,747)
free base

>  <CAS> (1,747)
834-45-7

>  <URL> (1,747)
N/A

$$$$
WAY-637081
csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
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VEGFR2,Casein kinase 1d

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free base

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793722-88-0

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N/A

$$$$
WAY-637493
csChFnd80/09132414022D

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>  <Formula> (1,749)
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334.32876

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WAY-637493

>  <Synonyms> (1,749)
N/A

>  <Target> (1,749)
Fyn

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free base

>  <CAS> (1,749)
791600-64-1

>  <URL> (1,749)
N/A

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WAY-637845
csChFnd80/09132414022D

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WAY-637845

>  <Synonyms> (1,750)
N/A

>  <Target> (1,750)
others

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free base

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794539-14-3

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N/A

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WAY-655860
csChFnd80/09132414022D

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>  <Formula> (1,751)
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>  <Synonyms> (1,751)
N/A

>  <Target> (1,751)
B-Raf

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free base

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63895-45-4

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N/A

$$$$
WAY-655978
csChFnd80/09132414022D

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>  <MolWeight> (1,752)
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>  <Cat> (1,752)
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>  <Synonyms> (1,752)
N/A

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ROCK, ERK, GSK, and AGC

>  <Form> (1,752)
free base

>  <CAS> (1,752)
692869-98-0

>  <URL> (1,752)
N/A

$$$$
WAY-656283
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>  <Formula> (1,753)
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>  <Target> (1,753)
p38

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free base

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263270-62-8

>  <URL> (1,753)
N/A

$$$$
WAY-656935
csChFnd80/09132414022D

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325.3849

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WAY-656935

>  <Synonyms> (1,754)
N/A

>  <Target> (1,754)
 ROCK, ERK, GSK, and AGC 

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free base

>  <CAS> (1,754)
852902-81-9

>  <URL> (1,754)
N/A

$$$$
WAY-657460
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,755)
1871

>  <Formula> (1,755)
C17H15N3O2S

>  <MolWeight> (1,755)
325.3849

>  <Cat> (1,755)
P3524

>  <Name> (1,755)
WAY-657460

>  <Synonyms> (1,755)
N/A

>  <Target> (1,755)
 ROCK, ERK, GSK, and AGC 

>  <Form> (1,755)
free base

>  <CAS> (1,755)
853325-19-6

>  <URL> (1,755)
N/A

$$$$
WAY-323534
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,756)
1872

>  <Formula> (1,756)
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>  <MolWeight> (1,756)
349.81354

>  <Cat> (1,756)
P3339

>  <Name> (1,756)
WAY-323534

>  <Synonyms> (1,756)
N/A

>  <Target> (1,756)
PASK

>  <Form> (1,756)
free base

>  <CAS> (1,756)
854040-96-3

>  <URL> (1,756)
N/A

$$$$
WAY-323878-A
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,757)
1873

>  <Formula> (1,757)
C16H14N2O

>  <MolWeight> (1,757)
250.29516

>  <Cat> (1,757)
P3340

>  <Name> (1,757)
WAY-323878-A

>  <Synonyms> (1,757)
N/A

>  <Target> (1,757)
CDK

>  <Form> (1,757)
free base

>  <CAS> (1,757)
1185726-51-5

>  <URL> (1,757)
N/A

$$$$
WAY-323879
csChFnd80/09132414022D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,758)
1874

>  <Formula> (1,758)
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>  <MolWeight> (1,758)
238.28446

>  <Cat> (1,758)
P3341

>  <Name> (1,758)
WAY-323879

>  <Synonyms> (1,758)
N/A

>  <Target> (1,758)
CDK

>  <Form> (1,758)
free base

>  <CAS> (1,758)
685097-43-2

>  <URL> (1,758)
N/A

$$$$
WAY-324418
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,759)
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>  <Formula> (1,759)
C11H10N4O2S

>  <MolWeight> (1,759)
262.2877

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>  <Name> (1,759)
WAY-324418

>  <Synonyms> (1,759)
N/A

>  <Target> (1,759)
Anti-infection

>  <Form> (1,759)
free base

>  <CAS> (1,759)
681838-49-3

>  <URL> (1,759)
N/A

$$$$
WAY-324420
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,760)
1876

>  <Formula> (1,760)
C12H12N4O2S

>  <MolWeight> (1,760)
276.31428

>  <Cat> (1,760)
P3343

>  <Name> (1,760)
WAY-324420

>  <Synonyms> (1,760)
N/A

>  <Target> (1,760)
Anti-infection

>  <Form> (1,760)
free base

>  <CAS> (1,760)
681838-50-6

>  <URL> (1,760)
N/A

$$$$
WAY-324709
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,761)
1877

>  <Formula> (1,761)
C15H9FN2O3

>  <MolWeight> (1,761)
284.2419632

>  <Cat> (1,761)
P3344

>  <Name> (1,761)
WAY-324709

>  <Synonyms> (1,761)
N/A

>  <Target> (1,761)
ATP-kinase

>  <Form> (1,761)
free base

>  <CAS> (1,761)
69785-85-9

>  <URL> (1,761)
N/A

$$$$
WAY-325065
csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11 14  1  0  0  0  0
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 15  8  1  0  0  0  0
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  4  5  2  0  0  0  0
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M  END
>  <Mol_ID> (1,762)
1878

>  <Formula> (1,762)
C16H17N7S

>  <MolWeight> (1,762)
339.41808

>  <Cat> (1,762)
P3345

>  <Name> (1,762)
WAY-325065

>  <Synonyms> (1,762)
N/A

>  <Target> (1,762)
MtSk

>  <Form> (1,762)
free base

>  <CAS> (1,762)
689762-76-3

>  <URL> (1,762)
N/A

$$$$
WAY-325185
csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 11  5  2  0  0  0  0
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M  END
>  <Mol_ID> (1,763)
1879

>  <Formula> (1,763)
C17H21N5O3

>  <MolWeight> (1,763)
343.38034

>  <Cat> (1,763)
P3346

>  <Name> (1,763)
WAY-325185

>  <Synonyms> (1,763)
N/A

>  <Target> (1,763)
VEGFR

>  <Form> (1,763)
free base

>  <CAS> (1,763)
342785-98-2

>  <URL> (1,763)
N/A

$$$$
WAY-606344
csChFnd80/09132414022D

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 11  7  2  0  0  0  0
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M  END
>  <Mol_ID> (1,764)
1884

>  <Formula> (1,764)
C14H8ClN3O2

>  <MolWeight> (1,764)
285.68522

>  <Cat> (1,764)
P3437

>  <Name> (1,764)
WAY-606344

>  <Synonyms> (1,764)
N/A

>  <Target> (1,764)
Casein kinase 1d

>  <Form> (1,764)
free base

>  <CAS> (1,764)
380423-28-9

>  <URL> (1,764)
N/A

$$$$
WAY-606954
csChFnd80/09132414022D

 23 26  0  0  0  0  0  0  0  0999 V2000
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N/A

$$$$
WAY-606956
csChFnd80/09132414022D

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WAY-606956

>  <Synonyms> (1,766)
N/A

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GSK3

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free base

>  <CAS> (1,766)
748145-19-9

>  <URL> (1,766)
N/A

$$$$
WAY-606957
csChFnd80/09132414022D

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>  <MolWeight> (1,767)
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WAY-606957

>  <Synonyms> (1,767)
N/A

>  <Target> (1,767)
GSK3

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free base

>  <CAS> (1,767)
1062138-03-7

>  <URL> (1,767)
N/A

$$$$
WAY-606958
csChFnd80/09132414022D

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>  <Mol_ID> (1,768)
1888

>  <Formula> (1,768)
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>  <MolWeight> (1,768)
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>  <Cat> (1,768)
P3441

>  <Name> (1,768)
WAY-606958

>  <Synonyms> (1,768)
N/A

>  <Target> (1,768)
Casein kinase 1¦Ä

>  <Form> (1,768)
free base

>  <CAS> (1,768)
882220-11-3

>  <URL> (1,768)
N/A

$$$$
WAY-297629
csChFnd80/09132414022D

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  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> (1,769)
1889

>  <Formula> (1,769)
C21H18N2O3

>  <MolWeight> (1,769)
346.37922

>  <Cat> (1,769)
P3299

>  <Name> (1,769)
WAY-297629

>  <Synonyms> (1,769)
N/A

>  <Target> (1,769)
VEGFR2

>  <Form> (1,769)
free base

>  <CAS> (1,769)
371213-22-8

>  <URL> (1,769)
N/A

$$$$
GI-569525
csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 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> (1,770)
1890

>  <Formula> (1,770)
C18H17NO4S

>  <MolWeight> (1,770)
343.39688

>  <Cat> (1,770)
P3260

>  <Name> (1,770)
GI-569525

>  <Synonyms> (1,770)
N/A

>  <Target> (1,770)
Anti-infection

>  <Form> (1,770)
free base

>  <CAS> (1,770)
96334-43-9

>  <URL> (1,770)
N/A

$$$$
WAY-298041
csChFnd80/09132414022D

 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
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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
  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
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 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,771)
1891

>  <Formula> (1,771)
C17H15N3O2

>  <MolWeight> (1,771)
293.3199

>  <Cat> (1,771)
P3300

>  <Name> (1,771)
WAY-298041

>  <Synonyms> (1,771)
N/A

>  <Target> (1,771)
c-Met

>  <Form> (1,771)
free base

>  <CAS> (1,771)
299405-67-7

>  <URL> (1,771)
N/A

$$$$
WAY-298350
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.5005   -5.8010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0735   -4.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5890   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -5.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
  6  9  1  0  0  0  0
 20 21  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,772)
1892

>  <Formula> (1,772)
C17H17NO3

>  <MolWeight> (1,772)
283.32178

>  <Cat> (1,772)
P3301

>  <Name> (1,772)
WAY-298350

>  <Synonyms> (1,772)
N/A

>  <Target> (1,772)
A kinase anchor protein/protein kinase A int

>  <Form> (1,772)
free base

>  <CAS> (1,772)
304888-67-3

>  <URL> (1,772)
N/A

$$$$
WAY-298516
csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.0297    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2703    0.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  7  9  1  0  0  0  0
 12 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,773)
1893

>  <Formula> (1,773)
C14H13ClN2O3

>  <MolWeight> (1,773)
292.71762

>  <Cat> (1,773)
P3302

>  <Name> (1,773)
WAY-298516

>  <Synonyms> (1,773)
N/A

>  <Target> (1,773)
Androgen Receptor,RAD51,GSK-3

>  <Form> (1,773)
free base

>  <CAS> (1,773)
103056-35-5

>  <URL> (1,773)
N/A

$$$$
WAY-298668
csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.9483   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
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 29 30  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
 20 22  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,774)
1894

>  <Formula> (1,774)
C22H23N5O3

>  <MolWeight> (1,774)
405.44972

>  <Cat> (1,774)
P3303

>  <Name> (1,774)
WAY-298668

>  <Synonyms> (1,774)
N/A

>  <Target> (1,774)
Aurora-A,JAMM protease

>  <Form> (1,774)
free base

>  <CAS> (1,774)
371224-09-8

>  <URL> (1,774)
N/A

$$$$
WAY-607324
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,775)
1895

>  <Formula> (1,775)
C13H8N2O2S2

>  <MolWeight> (1,775)
288.34482

>  <Cat> (1,775)
P3442

>  <Name> (1,775)
WAY-607324

>  <Synonyms> (1,775)
N/A

>  <Target> (1,775)
Mcl-1,ASK1

>  <Form> (1,775)
free base

>  <CAS> (1,775)
1427537-92-5

>  <URL> (1,775)
N/A

$$$$
WAY-607500
csChFnd80/09132414022D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  8 13  2  0  0  0  0
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 11 20  1  0  0  0  0
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 13 15  1  0  0  0  0
 14 10  1  0  0  0  0
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 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
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 23 22  1  0  0  0  0
  5  3  1  0  0  0  0
  8 12  1  0  0  0  0
 23 19  2  0  0  0  0
 11 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,776)
1896

>  <Formula> (1,776)
C19H18N2O2

>  <MolWeight> (1,776)
306.35842

>  <Cat> (1,776)
P3443

>  <Name> (1,776)
WAY-607500

>  <Synonyms> (1,776)
N/A

>  <Target> (1,776)
VEGFR

>  <Form> (1,776)
free base

>  <CAS> (1,776)
186610-88-8

>  <URL> (1,776)
N/A

$$$$
WAY-607777
csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
 13 20  2  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17  5  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 11  1  0  0  0  0
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 12 14  2  0  0  0  0
 13 21  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,777)
1897

>  <Formula> (1,777)
C16H12ClN3O2S2

>  <MolWeight> (1,777)
377.86838

>  <Cat> (1,777)
P3445

>  <Name> (1,777)
WAY-607777

>  <Synonyms> (1,777)
N/A

>  <Target> (1,777)
Casein kinase 1d

>  <Form> (1,777)
free base

>  <CAS> (1,777)
522626-08-0

>  <URL> (1,777)
N/A

$$$$
WAY-619275
csChFnd80/09132414022D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  2  0  0  0  0
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 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,778)
1898

>  <Formula> (1,778)
C12H11N5O

>  <MolWeight> (1,778)
241.24864

>  <Cat> (1,778)
P3457

>  <Name> (1,778)
WAY-619275

>  <Synonyms> (1,778)
N/A

>  <Target> (1,778)
Plk1 kinase,EphB2

>  <Form> (1,778)
free base

>  <CAS> (1,778)
73663-97-5

>  <URL> (1,778)
N/A

$$$$
WAY-620099
csChFnd80/09132414022D

 20 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
  9  8  2  0  0  0  0
  4  5  1  0  0  0  0
 20 19  1  0  0  0  0
 11 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,779)
1899

>  <Formula> (1,779)
C15H12ClN3S

>  <MolWeight> (1,779)
301.79388

>  <Cat> (1,779)
P3459

>  <Name> (1,779)
WAY-620099

>  <Synonyms> (1,779)
N/A

>  <Target> (1,779)
tyrosine kinase,PI3K,phosphodiesterase V

>  <Form> (1,779)
free base

>  <CAS> (1,779)
128277-24-7

>  <URL> (1,779)
N/A

$$$$
WAY-620147
csChFnd80/09132414022D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
  7  9  1  0  0  0  0
  2  3  1  0  0  0  0
  9 10  1  0  0  0  0
  5  6  2  0  0  0  0
 10 11  1  0  0  0  0
  6  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
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 12 17  1  0  0  0  0
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 16 17  1  0  0  0  0
  3 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,780)
1900

>  <Formula> (1,780)
C12H16BrN3O2

>  <MolWeight> (1,780)
314.17834

>  <Cat> (1,780)
P3460

>  <Name> (1,780)
WAY-620147

>  <Synonyms> (1,780)
N/A

>  <Target> (1,780)
monoamine oxidase a

>  <Form> (1,780)
free base

>  <CAS> (1,780)
515866-67-8

>  <URL> (1,780)
N/A

$$$$
WAY-638641
csChFnd80/09132414022D

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  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 17  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10 21  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18  4  1  0  0  0  0
 19  8  2  0  0  0  0
 20  4  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 15  1  0  0  0  0
 24 22  1  0  0  0  0
 25 18  1  0  0  0  0
  4  5  1  0  0  0  0
 16 25  1  0  0  0  0
 10  7  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,781)
1901

>  <Formula> (1,781)
C16H17N3O5S

>  <MolWeight> (1,781)
363.38828

>  <Cat> (1,781)
P3494

>  <Name> (1,781)
WAY-638641

>  <Synonyms> (1,781)
N/A

>  <Target> (1,781)
Aurora kinase A

>  <Form> (1,781)
free base

>  <CAS> (1,781)
796068-62-7

>  <URL> (1,781)
N/A

$$$$
WAY-638796
csChFnd80/09132414022D

 19 22  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  4  2  2  0  0  0  0
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  6  3  1  0  0  0  0
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  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 19  1  0  0  0  0
 19 16  2  0  0  0  0
  8  9  2  0  0  0  0
  5  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,782)
1902

>  <Formula> (1,782)
C14H10ClN3S

>  <MolWeight> (1,782)
287.7673

>  <Cat> (1,782)
P3495

>  <Name> (1,782)
WAY-638796

>  <Synonyms> (1,782)
N/A

>  <Target> (1,782)
tyrosine kinase

>  <Form> (1,782)
free base

>  <CAS> (1,782)
796067-64-6

>  <URL> (1,782)
N/A

$$$$
WAY-639405
csChFnd80/09132414022D

 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
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 21  1  0  0  0  0
 21 11  1  0  0  0  0
 22 10  2  0  0  0  0
 23 20  1  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 28  1  0  0  0  0
 28 26  2  0  0  0  0
  8  9  2  0  0  0  0
  5  3  2  0  0  0  0
 27 18  2  0  0  0  0
 13 12  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,783)
1903

>  <Formula> (1,783)
C21H18N4O2S

>  <MolWeight> (1,783)
390.45822

>  <Cat> (1,783)
P3496

>  <Name> (1,783)
WAY-639405

>  <Synonyms> (1,783)
N/A

>  <Target> (1,783)
tyrosine kinase,phosphodiesterase V

>  <Form> (1,783)
free base

>  <CAS> (1,783)
796052-04-5

>  <URL> (1,783)
N/A

$$$$
WAY-658513
csChFnd80/09132414022D

 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
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  2  0  0  0  0
  8  3  2  0  0  0  0
 14 20  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,784)
1904

>  <Formula> (1,784)
C16H11ClFN3OS

>  <MolWeight> (1,784)
347.7944432

>  <Cat> (1,784)
P3526

>  <Name> (1,784)
WAY-658513

>  <Synonyms> (1,784)
N/A

>  <Target> (1,784)
ROCK, ERK, GSK, and AGC

>  <Form> (1,784)
free base

>  <CAS> (1,784)
692870-25-0

>  <URL> (1,784)
N/A

$$$$
WAY-326250
csChFnd80/09132414022D

 22 25  0  0  0  0  0  0  0  0999 V2000
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   16.0000   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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 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> (1,785)
1905

>  <Formula> (1,785)
C15H13N5OS

>  <MolWeight> (1,785)
311.36162

>  <Cat> (1,785)
P3351

>  <Name> (1,785)
WAY-326250

>  <Synonyms> (1,785)
N/A

>  <Target> (1,785)
shikimate kinase

>  <Form> (1,785)
free base

>  <CAS> (1,785)
869872-13-9

>  <URL> (1,785)
N/A

$$$$
WAY-326542
csChFnd80/09132414022D

 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> (1,786)
1906

>  <Formula> (1,786)
C16H15NO3S

>  <MolWeight> (1,786)
301.3602

>  <Cat> (1,786)
P3352

>  <Name> (1,786)
WAY-326542

>  <Synonyms> (1,786)
N/A

>  <Target> (1,786)
CDK5/p25

>  <Form> (1,786)
free base

>  <CAS> (1,786)
870983-04-3

>  <URL> (1,786)
N/A

$$$$
WAY-326578
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  5  1  1  0  0  0  0
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  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> (1,787)
1907

>  <Formula> (1,787)
C16H16N2O3S

>  <MolWeight> (1,787)
316.37484

>  <Cat> (1,787)
P3353

>  <Name> (1,787)
WAY-326578

>  <Synonyms> (1,787)
N/A

>  <Target> (1,787)
GSK-3b

>  <Form> (1,787)
free base

>  <CAS> (1,787)
870984-34-2

>  <URL> (1,787)
N/A

$$$$
WAY-326890
csChFnd80/09132414022D

 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 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11  1  2  0  0  0  0
 12  8  2  0  0  0  0
 13  3  1  0  0  0  0
 14 13  1  0  0  0  0
 15  3  2  0  0  0  0
 16  3  2  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 19 10  2  0  0  0  0
 20 12  1  0  0  0  0
 21  8  1  0  0  0  0
 22 21  2  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 20  1  0  0  0  0
 18  6  1  0  0  0  0
  7  5  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,788)
1908

>  <Formula> (1,788)
C17H17N3O3S2

>  <MolWeight> (1,788)
375.46518

>  <Cat> (1,788)
P3354

>  <Name> (1,788)
WAY-326890

>  <Synonyms> (1,788)
N/A

>  <Target> (1,788)
Others

>  <Form> (1,788)
free base

>  <CAS> (1,788)
685865-67-2

>  <URL> (1,788)
N/A

$$$$
WAY-326891
csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
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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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 20 18  2  0  0  0  0
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 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> (1,789)
1909

>  <Formula> (1,789)
C17H17N3O3S2

>  <MolWeight> (1,789)
375.46518

>  <Cat> (1,789)
P3355

>  <Name> (1,789)
WAY-326891

>  <Synonyms> (1,789)
N/A

>  <Target> (1,789)
kinase

>  <Form> (1,789)
free base

>  <CAS> (1,789)
685865-71-8

>  <URL> (1,789)
N/A

$$$$
WAY-326892
csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
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>  <Formula> (1,790)
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>  <MolWeight> (1,790)
375.46518

>  <Cat> (1,790)
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>  <Name> (1,790)
WAY-326892

>  <Synonyms> (1,790)
N/A

>  <Target> (1,790)
kinase

>  <Form> (1,790)
free base

>  <CAS> (1,790)
685865-72-9

>  <URL> (1,790)
N/A

$$$$
WAY-326893
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,791)
1911

>  <Formula> (1,791)
C17H17N3O3S2

>  <MolWeight> (1,791)
375.46518

>  <Cat> (1,791)
P3357

>  <Name> (1,791)
WAY-326893

>  <Synonyms> (1,791)
N/A

>  <Target> (1,791)
Others

>  <Form> (1,791)
free base

>  <CAS> (1,791)
685865-73-0

>  <URL> (1,791)
N/A

$$$$
WAY-326894
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,792)
1912

>  <Formula> (1,792)
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>  <MolWeight> (1,792)
365.4024832

>  <Cat> (1,792)
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>  <Name> (1,792)
WAY-326894

>  <Synonyms> (1,792)
N/A

>  <Target> (1,792)
kinase

>  <Form> (1,792)
free base

>  <CAS> (1,792)
685865-75-2

>  <URL> (1,792)
N/A

$$$$
WAY-328158
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,793)
1913

>  <Formula> (1,793)
C19H16FN3O3S

>  <MolWeight> (1,793)
385.4120432

>  <Cat> (1,793)
P3360

>  <Name> (1,793)
WAY-328158

>  <Synonyms> (1,793)
N/A

>  <Target> (1,793)
BCR-ABL

>  <Form> (1,793)
free base

>  <CAS> (1,793)
688050-42-2

>  <URL> (1,793)
N/A

$$$$
WAY-621129
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,794)
1914

>  <Formula> (1,794)
C16H12O4

>  <MolWeight> (1,794)
268.26408

>  <Cat> (1,794)
P3461

>  <Name> (1,794)
WAY-621129

>  <Synonyms> (1,794)
N/A

>  <Target> (1,794)
SIRT6,BCRP/ABCG2,CK2,HIV-1 protease,CDK

>  <Form> (1,794)
free base

>  <CAS> (1,794)
6889-78-7

>  <URL> (1,794)
N/A

$$$$
WAY-621555
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,795)
1915

>  <Formula> (1,795)
C22H21N5

>  <MolWeight> (1,795)
355.43564

>  <Cat> (1,795)
P3462

>  <Name> (1,795)
WAY-621555

>  <Synonyms> (1,795)
N/A

>  <Target> (1,795)
Casein kinase 1¦Ä

>  <Form> (1,795)
free base

>  <CAS> (1,795)
956753-89-2

>  <URL> (1,795)
N/A

$$$$
WAY-621640
csChFnd80/09132414022D

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 12  2  1  0  0  0  0
 13 14  1  0  0  0  0
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 15  5  2  0  0  0  0
 16  4  2  0  0  0  0
 17  1  1  0  0  0  0
 18  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,796)
1916

>  <Formula> (1,796)
C17H15N3O2S

>  <MolWeight> (1,796)
325.3849

>  <Cat> (1,796)
P3463

>  <Name> (1,796)
WAY-621640

>  <Synonyms> (1,796)
N/A

>  <Target> (1,796)
Casein kinase 1¦Ä

>  <Form> (1,796)
free base

>  <CAS> (1,796)
742113-71-9

>  <URL> (1,796)
N/A

$$$$
WAY-621856
csChFnd80/09132414022D

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 10  6  2  0  0  0  0
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 14  9  2  0  0  0  0
 15  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,797)
1917

>  <Formula> (1,797)
C16H9N5O3S

>  <MolWeight> (1,797)
351.33936

>  <Cat> (1,797)
P3464

>  <Name> (1,797)
WAY-621856

>  <Synonyms> (1,797)
N/A

>  <Target> (1,797)
FGFR

>  <Form> (1,797)
free base

>  <CAS> (1,797)
606958-57-0

>  <URL> (1,797)
N/A

$$$$
WAY-639932
csChFnd80/09132414022D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 12 10  2  0  0  0  0
 13  8  2  0  0  0  0
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  7  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,798)
1918

>  <Formula> (1,798)
C17H12N4S2

>  <MolWeight> (1,798)
336.43398

>  <Cat> (1,798)
P3497

>  <Name> (1,798)
WAY-639932

>  <Synonyms> (1,798)
N/A

>  <Target> (1,798)
Casein kinase 1¦Ä

>  <Form> (1,798)
free base

>  <CAS> (1,798)
851467-69-1

>  <URL> (1,798)
N/A

$$$$
WAY-660114
csChFnd80/09132414022D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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  7  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,799)
1919

>  <Formula> (1,799)
C14H9FN6S2

>  <MolWeight> (1,799)
344.3898632

>  <Cat> (1,799)
P3527

>  <Name> (1,799)
WAY-660114

>  <Synonyms> (1,799)
N/A

>  <Target> (1,799)
kinase

>  <Form> (1,799)
free base

>  <CAS> (1,799)
871317-00-9

>  <URL> (1,799)
N/A

$$$$
WAY-660222
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,800)
1920

>  <Formula> (1,800)
C19H13FO

>  <MolWeight> (1,800)
276.3043232

>  <Cat> (1,800)
P3528

>  <Name> (1,800)
WAY-660222

>  <Synonyms> (1,800)
N/A

>  <Target> (1,800)
EGFR

>  <Form> (1,800)
free base

>  <CAS> (1,800)
867294-23-3

>  <URL> (1,800)
N/A

$$$$
WAY-660667
csChFnd80/09132414022D

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 17  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,801)
1921

>  <Formula> (1,801)
C17H17N5O3

>  <MolWeight> (1,801)
339.34858

>  <Cat> (1,801)
P3529

>  <Name> (1,801)
WAY-660667

>  <Synonyms> (1,801)
N/A

>  <Target> (1,801)
ROS

>  <Form> (1,801)
free base

>  <CAS> (1,801)
871218-26-7

>  <URL> (1,801)
N/A

$$$$
WAY-661516
csChFnd80/09132414022D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
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 15 10  2  0  0  0  0
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 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
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M  END
>  <Mol_ID> (1,802)
1922

>  <Formula> (1,802)
C15H15ClFN3O5

>  <MolWeight> (1,802)
371.7481032

>  <Cat> (1,802)
P3530

>  <Name> (1,802)
WAY-661516

>  <Synonyms> (1,802)
N/A

>  <Target> (1,802)
Aurora kinase A

>  <Form> (1,802)
free base

>  <CAS> (1,802)
875163-98-7

>  <URL> (1,802)
N/A

$$$$
CL-230482
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,803)
1923

>  <Formula> (1,803)
C15H12N2O

>  <MolWeight> (1,803)
236.26858

>  <Cat> (1,803)
P3255

>  <Name> (1,803)
CL-230482

>  <Synonyms> (1,803)
N/A

>  <Target> (1,803)
PDGFR

>  <Form> (1,803)
free base

>  <CAS> (1,803)
909859-35-4

>  <URL> (1,803)
N/A

$$$$
WYE-163716-A
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,804)
1924

>  <Formula> (1,804)
C15H14N4O2S2

>  <MolWeight> (1,804)
346.42726

>  <Cat> (1,804)
P3533

>  <Name> (1,804)
WYE-163716-A

>  <Synonyms> (1,804)
N/A

>  <Target> (1,804)
rRNA ErmC' methyltransferase,F508del-CFTR,PI

>  <Form> (1,804)
free base

>  <CAS> (1,804)
92902-64-2

>  <URL> (1,804)
N/A

$$$$
WYE-175765
csChFnd80/09132414022D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 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> (1,805)
1925

>  <Formula> (1,805)
C14H13NO6S

>  <MolWeight> (1,805)
323.32112

>  <Cat> (1,805)
P3534

>  <Name> (1,805)
WYE-175765

>  <Synonyms> (1,805)
N/A

>  <Target> (1,805)
JAK3,YopH,antibacterial

>  <Form> (1,805)
free base

>  <CAS> (1,805)
956236-35-4

>  <URL> (1,805)
N/A

$$$$
WYE-175829
csChFnd80/09132414022D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.3792   -0.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7917   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0917    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8083    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4792    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> (1,806)
1926

>  <Formula> (1,806)
C13H14N2O3S

>  <MolWeight> (1,806)
278.32686

>  <Cat> (1,806)
P3535

>  <Name> (1,806)
WYE-175829

>  <Synonyms> (1,806)
N/A

>  <Target> (1,806)
tyrosine kinase,gonadotropin-releasing hormo

>  <Form> (1,806)
free base

>  <CAS> (1,806)
327093-01-6

>  <URL> (1,806)
N/A

$$$$
WYE-175837
csChFnd80/09132414022D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.1349   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1349   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6452   -0.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349   -2.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6556    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8755   -1.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1556    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1452    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651    2.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1556    3.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 10  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,807)
1927

>  <Formula> (1,807)
C14H14N2O2

>  <MolWeight> (1,807)
242.27316

>  <Cat> (1,807)
P3536

>  <Name> (1,807)
WYE-175837

>  <Synonyms> (1,807)
N/A

>  <Target> (1,807)
BTK,VEGFR-2,Protein Arginine Deiminase

>  <Form> (1,807)
free base

>  <CAS> (1,807)
891-35-0

>  <URL> (1,807)
N/A

$$$$
WYE-175840
csChFnd80/09132414022D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.2375    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.8458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7333   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4750   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5042    3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  5  2  0  0  0  0
 14  4  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18  3  1  0  0  0  0
 19  6  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  3  4  1  0  0  0  0
 15 17  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,808)
1928

>  <Formula> (1,808)
C17H19N5O3S

>  <MolWeight> (1,808)
373.42946

>  <Cat> (1,808)
P3537

>  <Name> (1,808)
WYE-175840

>  <Synonyms> (1,808)
N/A

>  <Target> (1,808)
Glutamate Racemase,protein kinase-activated 

>  <Form> (1,808)
free base

>  <CAS> (1,808)
380432-29-1

>  <URL> (1,808)
N/A

$$$$
WYE-176092
csChFnd80/09132414022D

 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
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    1.4331   -0.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435   -0.5960    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1952    0.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2228   -0.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9435    0.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,809)
1929

>  <Formula> (1,809)
C12H14N2O2S2

>  <MolWeight> (1,809)
282.38176

>  <Cat> (1,809)
P3538

>  <Name> (1,809)
WYE-176092

>  <Synonyms> (1,809)
N/A

>  <Target> (1,809)
Anti-infection

>  <Form> (1,809)
free base

>  <CAS> (1,809)
121746-06-3

>  <URL> (1,809)
N/A

$$$$
WAY-333491
csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -6.7667    5.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083    6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1375    8.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.5250    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6208    6.1792    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  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  2  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
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 19 16  1  0  0  0  0
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 22  8  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
  6  3  1  0  0  0  0
 12 10  2  0  0  0  0
 19 20  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,810)
1930

>  <Formula> (1,810)
C18H19N5OS

>  <MolWeight> (1,810)
353.44136

>  <Cat> (1,810)
P3379

>  <Name> (1,810)
WAY-333491

>  <Synonyms> (1,810)
N/A

>  <Target> (1,810)
LRRK2

>  <Form> (1,810)
free base

>  <CAS> (1,810)
852375-30-5

>  <URL> (1,810)
N/A

$$$$
WAY-333434
csChFnd80/09132414022D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -6.0667    4.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8500    5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5083    7.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4917    5.5917    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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721964-45-0

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N/A

$$$$
WAY-662864
csChFnd80/09132414022D

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WAY-662864

>  <Synonyms> (1,812)
N/A

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UMPK

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free base

>  <CAS> (1,812)
1621866-83-8

>  <URL> (1,812)
N/A

$$$$
WAY-278752
csChFnd80/09132414022D

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>  <Synonyms> (1,813)
N/A

>  <Target> (1,813)
IGF1R

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free base

>  <CAS> (1,813)
331652-38-1

>  <URL> (1,813)
N/A

$$$$
WAY-329594
csChFnd80/09132414022D

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>  <Formula> (1,814)
C14H10BrN3O3S2

>  <MolWeight> (1,814)
412.2815

>  <Cat> (1,814)
P3369

>  <Name> (1,814)
WAY-329594

>  <Synonyms> (1,814)
N/A

>  <Target> (1,814)
others

>  <Form> (1,814)
free base

>  <CAS> (1,814)
956910-37-5

>  <URL> (1,814)
N/A

$$$$
WAY-329599
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,815)
1935

>  <Formula> (1,815)
C14H10FN3O3S2

>  <MolWeight> (1,815)
351.3759032

>  <Cat> (1,815)
P3371

>  <Name> (1,815)
WAY-329599

>  <Synonyms> (1,815)
N/A

>  <Target> (1,815)
others

>  <Form> (1,815)
free base

>  <CAS> (1,815)
956910-38-6

>  <URL> (1,815)
N/A

$$$$
WAY-329603
csChFnd80/09132414022D

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   11.6000  -14.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1000  -13.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  9  1  0  0  0  0
 13  2  2  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 10  1  0  0  0  0
 19  9  2  0  0  0  0
 20 18  1  0  0  0  0
 21 11  1  0  0  0  0
 22 10  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
  7 17  1  0  0  0  0
  6  8  1  0  0  0  0
 24 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,816)
1936

>  <Formula> (1,816)
C15H12ClN3O3S2

>  <MolWeight> (1,816)
381.85708

>  <Cat> (1,816)
P3372

>  <Name> (1,816)
WAY-329603

>  <Synonyms> (1,816)
N/A

>  <Target> (1,816)
others

>  <Form> (1,816)
free base

>  <CAS> (1,816)
956910-39-7

>  <URL> (1,816)
N/A

$$$$
WAY-329598
csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.2750  -10.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9250  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  1  0  0  0  0
 10  2  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  2  0  0  0  0
 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
 18 22  1  0  0  0  0
 19 17  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
  7 15  1  0  0  0  0
  6  8  1  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,817)
1937

>  <Formula> (1,817)
C16H15N3O3S2

>  <MolWeight> (1,817)
361.4386

>  <Cat> (1,817)
P3370

>  <Name> (1,817)
WAY-329598

>  <Synonyms> (1,817)
N/A

>  <Target> (1,817)
others

>  <Form> (1,817)
free base

>  <CAS> (1,817)
956910-48-8

>  <URL> (1,817)
N/A

$$$$
WAY-329607
csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   10.4375  -12.6250    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  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  1  0  0  0  0
 10  2  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 14  1  0  0  0  0
 14 18  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19 21  1  0  0  0  0
 20  9  2  0  0  0  0
 21 23  2  0  0  0  0
 22 13  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
  7 17  1  0  0  0  0
  6  8  1  0  0  0  0
 19 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,818)
1938

>  <Formula> (1,818)
C14H9ClFN3O3S2

>  <MolWeight> (1,818)
385.8209632

>  <Cat> (1,818)
P3373

>  <Name> (1,818)
WAY-329607

>  <Synonyms> (1,818)
N/A

>  <Target> (1,818)
others

>  <Form> (1,818)
free base

>  <CAS> (1,818)
956920-91-5

>  <URL> (1,818)
N/A

$$$$
WAY-278535
csChFnd80/09132414022D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.3030    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3447    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4030    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7197    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7697    0.1958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4178    0.5208    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  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10 14  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
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 14 13  1  0  0  0  0
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 10 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,819)
1939

>  <Formula> (1,819)
C10H6ClNO2S

>  <MolWeight> (1,819)
239.67814

>  <Cat> (1,819)
P3293

>  <Name> (1,819)
WAY-278535

>  <Synonyms> (1,819)
N/A

>  <Target> (1,819)
Pim-1,Pim-2,PPAR

>  <Form> (1,819)
free base

>  <CAS> (1,819)
24138-83-8

>  <URL> (1,819)
N/A

$$$$
(-)-Carvone
csChFnd80/09132414022D

 11 11  0  0  1  0  0  0  0  0999 V2000
    0.7700    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    2.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0801    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    2.6673    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
  4  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6  1  1  6  0  0  0
  6  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 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,820)
1940

>  <Formula> (1,820)
C10H14O

>  <MolWeight> (1,820)
150.21756

>  <Cat> (1,820)
E4298

>  <Name> (1,820)
(-)-Carvone

>  <Synonyms> (1,820)
(-)-Carvone

>  <Target> (1,820)
Others

>  <Form> (1,820)
free base

>  <CAS> (1,820)
6485-40-1

>  <URL> (1,820)
https://www.selleckchem.com/products/carvone.html

$$$$
2,3-Dihydroxy-6-methyl-7-(phenylmethyl)-4-propyl-1-naphthalenecarboxylic acid
csChFnd80/09132414022D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,821)
1941

>  <Formula> (1,821)
C22H22O4

>  <MolWeight> (1,821)
350.40768

>  <Cat> (1,821)
S8928

>  <Name> (1,821)
FX11

>  <Synonyms> (1,821)
LDHA Inhibitor FX11

>  <Target> (1,821)
LDH

>  <Form> (1,821)
Free base

>  <CAS> (1,821)
213971-34-7

>  <URL> (1,821)
https://www.selleckchem.com/products/fx11.html

$$$$
4-[4-[[[[2-Fluoro-5-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]amin...
csChFnd80/09132414022D

 38 40  0  0  0  0  0  0  0  0999 V2000
    2.1037    3.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2380    1.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    4.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6162    2.6698    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7038    1.3999    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3721    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7722    1.6685    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    5.1720    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5637    5.7357    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4385    3.0684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7722    3.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1060    3.0684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7722    5.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4385    6.1484    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.4408    6.1484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7757    6.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1093    5.3784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7757    7.6885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4430    6.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374    3.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712    3.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374    5.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1048    3.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712    6.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1048    5.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4397    3.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7733    3.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4397    5.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1070    3.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7733    6.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1070    5.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7745    5.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1082    6.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7745    3.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4418    5.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1082    3.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4418    3.8384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 21  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 27  1  0  0  0  0
 15 26  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  2  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <Mol_ID> (1,822)
1942

>  <Formula> (1,822)
C23H16F8N4O3

>  <MolWeight> (1,822)
548.3853656

>  <Cat> (1,822)
S3493

>  <Name> (1,822)
APS6-45

>  <Target> (1,822)
RAS

>  <Form> (1,822)
Free base

>  <CAS> (1,822)
2188236-41-9

>  <URL> (1,822)
https://www.selleckchem.com/products/aps6-45.html

$$$$
5-(2,4-Dihydroxyphenyl)-2,4-dihydro-4-(4-methylphenyl)-3H-1,2,4-triazol-3-one
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1556    9.7717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7757    7.1044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6140    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6156    7.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7104    5.8585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7104    8.3502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459    6.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459    7.8744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1556    7.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9256    8.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9256    5.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4657    8.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4657    5.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2357    7.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1864    4.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1559    3.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6927    4.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6317    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1686    2.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1382    1.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 11  1  0  0  0  0
  3 15  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 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
M  END
>  <Mol_ID> (1,823)
1943

>  <Formula> (1,823)
C15H13N3O3

>  <MolWeight> (1,823)
283.28202

>  <Cat> (1,823)
S2949

>  <Name> (1,823)
KPLH1130

>  <Target> (1,823)
Carbohydrate Metabolism

>  <Form> (1,823)
Free base

>  <CAS> (1,823)
906669-07-6

>  <URL> (1,823)
https://www.selleckchem.com/products/kplh1130.html

$$$$
Thioglycerol
csChFnd80/09132414022D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.6674    1.5400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3338    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3349    1.5400    0.0000 S   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
  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,824)
1944

>  <Formula> (1,824)
C3H8O2S

>  <MolWeight> (1,824)
108.15942

>  <Cat> (1,824)
E2907

>  <Name> (1,824)
1-Thioglycerol

>  <Synonyms> (1,824)
Mercaptopropanedioltech

>  <Target> (1,824)
Others

>  <Form> (1,824)
Acid

>  <CAS> (1,824)
96-27-5

>  <URL> (1,824)
https://www.selleckchem.com/products/1-thioglycerol.html

$$$$
Methylnaltrexone bromide
csChFnd80/09132414022D

 29 33  0  0  0  0  0  0  0  0999 V2000
    7.7059    4.9249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8891    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8373    7.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0655    5.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6988    5.6093    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9289    6.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2386    5.6093    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9287    4.2758    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9047    7.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3890    6.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6988    8.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0088    6.9428    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0086    4.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2263    5.1697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6986    2.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8014    8.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6191    8.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2387    8.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9289    9.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5485    6.9428    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    6.2386    2.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891    9.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3305    7.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9366    7.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3103    6.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8070    3.1083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1535    5.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4683    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  2 16  2  0  0  0  0
  3 18  1  0  0  0  0
  4 21  1  0  0  0  0
  4 24  1  0  0  0  0
  5 21  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
  6 10  1  1  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8  1  1  1  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 27  1  1  0  0  0
 10 17  1  0  0  0  0
 11 15  1  0  0  0  0
 11 18  2  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 19  1  0  0  0  0
 13 21  1  0  0  0  0
 13 28  1  6  0  0  0
 14 22  1  0  0  0  0
 16 22  1  0  0  0  0
 17 21  1  0  0  0  0
 18 23  1  0  0  0  0
 20 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,825)
1945

>  <Formula> (1,825)
C21H26BrNO4

>  <MolWeight> (1,825)
436.33944

>  <Cat> (1,825)
E2880

>  <Name> (1,825)
methylnaltrexone bromide

>  <Target> (1,825)
Opioid Receptor

>  <Form> (1,825)
Bromide

>  <CAS> (1,825)
73232-52-7

>  <URL> (1,825)
https://www.selleckchem.com/products/methylnaltrexone-bromide.html

$$$$
Sodium taurodeoxycholate monohydrate
csChFnd80/09132414022D

 41 42  0  0  0  0  0  0  0  0999 V2000
    8.1632   10.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8004    9.7159    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1341    8.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8004   11.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4679    9.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8015    8.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1352    9.7159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8015    7.4059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4689    8.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8027    9.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1363    8.9459    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.9063   10.2796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3663    7.6123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4700    8.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684   10.7801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3501    7.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    6.9300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6684    6.1600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0021    8.4701    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4668    6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    6.9300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6684    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4668    8.9459    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6684    9.2401    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3720    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    6.1600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3348    8.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    4.6200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6673    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,826)
1946

>  <Formula> (1,826)
C26H47NNaO7S

>  <MolWeight> (1,826)
540.70865

>  <Cat> (1,826)
E2411

>  <Name> (1,826)
Taurodeoxycholic acid sodium hydrate

>  <Target> (1,826)
S1PR Agonist

>  <Form> (1,826)
Sodium hydrate

>  <CAS> (1,826)
110026-03-4

>  <URL> (1,826)
https://www.selleckchem.com/products/taurohyodeoxycholic-acid-sodium-salt-hydrate.html

$$$$
3-[[(3E)-3-[(4-Chlorophenyl)phenylmethylene]-2,3-dihydro-2-oxo-1H-indol-1-yl]...
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,827)
1947

>  <Formula> (1,827)
C29H20ClNO3

>  <MolWeight> (1,827)
465.927

>  <Cat> (1,827)
E2371

>  <Name> (1,827)
YLF-466D

>  <Target> (1,827)
AMPK

>  <Form> (1,827)
free base

>  <CAS> (1,827)
1273323-67-3

>  <URL> (1,827)
https://www.selleckchem.com/products/ylf-466d.html

$$$$
Cyclohexyl N-[5-[2-(acetylamino)-6-benzothiazolyl]-2-methyl-3-pyridinyl]carba...
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,828)
1948

>  <Formula> (1,828)
C22H24N4O3S

>  <MolWeight> (1,828)
424.51596

>  <Cat> (1,828)
E2367

>  <Name> (1,828)
PK68

>  <Target> (1,828)
RIPK1

>  <Form> (1,828)
free base

>  <CAS> (1,828)
2173556-69-7

>  <URL> (1,828)
https://www.selleckchem.com/products/pk68.html

$$$$
0Chemicalbook2387524-59-4.MOL
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,829)
1949

>  <Formula> (1,829)
C16H11FN2O2S

>  <MolWeight> (1,829)
314.3341432

>  <Cat> (1,829)
E1351

>  <Name> (1,829)
NF-¦Ê¦¢ activator 1

>  <Synonyms> (1,829)
Compound 32

>  <Target> (1,829)
NF-¦Ê¦¢

>  <Form> (1,829)
free base

>  <CAS> (1,829)
2387524-59-4

>  <URL> (1,829)
https://www.selleckchem.com/products/nf-kb-activator-1.html

$$$$
2-[(4,5-Dihydro-4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-2-methy...
csChFnd80/09132414022D

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 13 14  2  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,830)
1950

>  <Formula> (1,830)
C15H15N5O2S

>  <MolWeight> (1,830)
329.3769

>  <Cat> (1,830)
E1346

>  <Name> (1,830)
HS94

>  <Synonyms> (1,830)
DAPK3 inhibitor HS94

>  <Target> (1,830)
DAPK

>  <Form> (1,830)
free base

>  <CAS> (1,830)
1892594-93-2

>  <URL> (1,830)
https://www.selleckchem.com/products/hs94.html

$$$$
2-[[1-(3-Fluorophenyl)-4,5-dihydro-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thi...
csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.8500    8.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    2.6674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.6674    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5400    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6546    4.5458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4364    5.6549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    4.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5974    7.1866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1906    7.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    5.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5808    4.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0455    5.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2606    3.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1899    4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4052    2.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8697    2.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 19  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 15 18  1  0  0  0  0
 17 18  2  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
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,831)
1951

>  <Formula> (1,831)
C15H14FN5O2S

>  <MolWeight> (1,831)
347.3673632

>  <Cat> (1,831)
E1345

>  <Name> (1,831)
HS148

>  <Synonyms> (1,831)
DAPK3 inhibitor HS148

>  <Target> (1,831)
DAPK

>  <Form> (1,831)
Free base

>  <CAS> (1,831)
1892595-16-2

>  <URL> (1,831)
https://www.selleckchem.com/products/hs148.html

$$$$
[N(Z)]-N-[4-(Hydroxymethyl)-3-(phenylmethyl)-2(3H)-thiazolylidene]-1H-pyrrolo...
csChFnd80/09132414022D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.6201    4.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9521    4.1753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4585    3.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9344    2.3904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2573    1.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7813    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    3.1918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9216    3.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9081    0.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    4.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    3.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4889    4.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0205    4.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1688    6.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6468    6.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9257    3.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5024    7.2760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1785    6.4065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4573    3.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0836    5.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,832)
1952

>  <Formula> (1,832)
C19H16N4O2S

>  <MolWeight> (1,832)
364.42094

>  <Cat> (1,832)
E1314

>  <Name> (1,832)
TDI-011536

>  <Target> (1,832)
LATS Inhibitor

>  <Form> (1,832)
free base

>  <CAS> (1,832)
2687970-96-1

>  <URL> (1,832)
https://www.selleckchem.com/products/tdi-011536.html

$$$$
0Chemicalbook484049-04-9.MOL
csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.2010    1.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6489    2.0508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8953    1.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9815    0.8948    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7885    0.7232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0214    1.5239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1808    2.1277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8511   -0.2002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2990   -0.8133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4546   -0.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3684    0.3427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4386    0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6716   -0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1565    0.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9770    0.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125   -0.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276   -1.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0071   -1.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1691   -0.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1691   -1.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8836   -2.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5980   -1.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5980   -0.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8836   -0.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125   -2.1277    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  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
 19 20  1  0  0  0  0
 19 24  2  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
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,833)
1953

>  <Formula> (1,833)
C18H13FN4O2

>  <MolWeight> (1,833)
336.3198232

>  <Cat> (1,833)
E1312

>  <Name> (1,833)
DPH

>  <Target> (1,833)
Bcr-Abl

>  <Form> (1,833)
free base

>  <CAS> (1,833)
484049-04-9

>  <URL> (1,833)
https://www.selleckchem.com/products/dph.html

$$$$
4-[5-Amino-6-[[1-(1-methyl-4-piperidinyl)-1H-pyrazol-4-yl]oxy]-2-pyrazinyl]-N...
csChFnd80/09132414022D

 39 43  0  0  1  0  0  0  0  0999 V2000
   19.2333    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5660    0.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8975    4.1618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2333    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5671    2.6218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.2333    0.3117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9008    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2345    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   28.5371    1.4946    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4027    6.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8964    6.7837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   24.5682    1.8517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   26.2356    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 16  1  0  0  0  0
  3 21  1  0  0  0  0
  3 24  1  0  0  0  0
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  4  6  2  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
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  8 35  1  0  0  0  0
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 11 34  1  0  0  0  0
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 13 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
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 20 22  2  0  0  0  0
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 22 23  1  0  0  0  0
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 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
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 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
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 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 39  1  0  0  0  0
 39 10  1  6  0  0  0
M  END
>  <Mol_ID> (1,834)
1954

>  <Formula> (1,834)
C28H37FN8O2

>  <MolWeight> (1,834)
536.6441832

>  <Cat> (1,834)
E1297

>  <Name> (1,834)
BGB 15025

>  <Target> (1,834)
MAP4K

>  <Form> (1,834)
free base

>  <CAS> (1,834)
2766481-17-6

>  <URL> (1,834)
https://www.selleckchem.com/products/bgb-15025.html

$$$$
(3S)-N-[2-[2-(Dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-6-...
csChFnd80/09132414022D

 32 35  0  0  1  0  0  0  0  0999 V2000
    9.1059    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7722    6.1601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1059    8.4702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1082    6.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4419    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1047    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7711    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7711    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1037    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1071    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1071    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7734    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4407    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7734    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4407    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4396    6.1601    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7744    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4396    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7744    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4386    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1047    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4386    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7711    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1047    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7711    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0304    8.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2765   10.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700   11.0919    0.0000 N   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
  2 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  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
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  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  1  1  1  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  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  2  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,835)
1955

>  <Formula> (1,835)
C24H28N4O4

>  <MolWeight> (1,835)
436.50352

>  <Cat> (1,835)
E1261

>  <Name> (1,835)
Chroman 1

>  <Target> (1,835)
ROCK

>  <Form> (1,835)
free base

>  <CAS> (1,835)
1273579-40-0

>  <URL> (1,835)
https://www.selleckchem.com/products/chroman-1.html

$$$$
3-Thiophenamine, 4-[(4-chlorophenyl)sulfonyl]tetrahydro-N-(2-methylpropyl)-, ...
csChFnd80/09132414022D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.3103    4.0865    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0803    2.7527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5403    5.4201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2495    5.4491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7849    5.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4647    7.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6091    8.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7851    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9024    0.8382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6451    7.1665    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9766    3.3165    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5696    3.9428    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8155    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392    2.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3092    1.4646    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6440    4.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9778    4.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6440    6.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3115    4.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9778    7.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3115    6.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1 17  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
  6  8  1  0  0  0  0
  9 16  2  0  0  0  0
 10 16  2  0  0  0  0
 11 22  1  0  0  0  0
 12  1  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13  4  1  6  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 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
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,836)
1956

>  <Formula> (1,836)
C14H20ClNO4S2

>  <MolWeight> (1,836)
365.8959

>  <Cat> (1,836)
E1220

>  <Name> (1,836)
CBR-470-1

>  <Target> (1,836)
phosphoglycerate kinase

>  <Form> (1,836)
free base

>  <CAS> (1,836)
2416095-06-0

>  <URL> (1,836)
https://www.selleckchem.com/products/cbr-470-1.html

$$$$
2-Hexyl-N-[2-hydroxy-1-(hydroxymethyl)ethyl]-3-oxodecanamide
csChFnd80/09132414022D

 24 23  0  0  0  0  0  0  0  0999 V2000
    5.3348    6.9302    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0012    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6687    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    9.2402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    6.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6687    9.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675   10.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675   11.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6698    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.0102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338   12.3203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0035    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0046    6.9302    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
  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
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 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
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,837)
1957

>  <Formula> (1,837)
C19H37NO4

>  <MolWeight> (1,837)
343.50138

>  <Cat> (1,837)
E1218

>  <Name> (1,837)
K6PC-5

>  <Target> (1,837)
SPHK

>  <Form> (1,837)
free base

>  <CAS> (1,837)
756875-51-1

>  <URL> (1,837)
https://www.selleckchem.com/products/k6pc-5.html

$$$$
1-[6-[(4R)-4-(5-Chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-inda...
csChFnd80/09132414022D

 38 44  0  0  0  0  0  0  0  0999 V2000
   10.4481    4.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4260    2.6675    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8860    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5309   10.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6919   11.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7768    9.1214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0987   12.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8860    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    6.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4177    5.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    7.7722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7379    7.0022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1160    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5760    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8860    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8060    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5455    5.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1160    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5760    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2997    2.9876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1387    4.5192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7532    7.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2774    8.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7228    5.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7711    8.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2165    6.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7405    7.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0010   10.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    8.3288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4946    9.8603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1447    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5825    7.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6966    9.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1344    8.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6862    9.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5720    7.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1240    9.4003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3 19  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 38  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <Mol_ID> (1,838)
1958

>  <Formula> (1,838)
C29H28ClN7O

>  <MolWeight> (1,838)
526.03192

>  <Cat> (1,838)
E1056

>  <Name> (1,838)
Opnurasib (JDQ-443) 

>  <Synonyms> (1,838)
NVP-JDQ443

>  <Target> (1,838)
Ras

>  <Form> (1,838)
free base

>  <CAS> (1,838)
2653994-08-0

>  <URL> (1,838)
https://www.selleckchem.com/products/jdq443.html

$$$$
873080-25-2.MOL
csChFnd80/09132414022D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.7862   -0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.3965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.8410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.2215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.0160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1187    1.7064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
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 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
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 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,839)
1959

>  <Formula> (1,839)
C19H17Cl2N3O4S

>  <MolWeight> (1,839)
454.32698

>  <Cat> (1,839)
E0437

>  <Name> (1,839)
ZAP-180013

>  <Target> (1,839)
syk

>  <Form> (1,839)
Free base

>  <CAS> (1,839)
873080-25-2

>  <URL> (1,839)
https://www.selleckchem.com/products/zap-180013.html

$$$$
1-(2,3-Dichlorobenzoyl)-4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-py...
csChFnd80/09132414022D

 34 37  0  0  0  0  0  0  0  0999 V2000
   10.8522    5.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8623    7.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3791    7.7705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6684    6.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    4.5159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3791    4.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9158    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4324    1.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    4.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0009    6.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    4.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    6.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    6.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9288    3.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0420    4.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8622    5.8495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  5 24  1  0  0  0  0
  7 21  1  0  0  0  0
  7 30  1  0  0  0  0
  8 23  1  0  0  0  0
  9 25  1  0  0  0  0
 10 27  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,840)
1960

>  <Formula> (1,840)
C23H22Cl2FN5O3

>  <MolWeight> (1,840)
506.3568832

>  <Cat> (1,840)
S9741

>  <Name> (1,840)
TAS-119

>  <Target> (1,840)
Aurora Kinase

>  <Form> (1,840)
Free base

>  <CAS> (1,840)
1453099-83-6

>  <URL> (1,840)
https://www.selleckchem.com/products/tas-119.html

$$$$
3,4-Dihydroxybenzaldehyde 2-(4,6-diphenyl-2-pyrimidinyl)-2-methylhydrazone
csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.7000    8.0020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    8.0020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300   12.0031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1700    9.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    6.6684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2400    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5500    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200   10.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    8.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600   10.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    8.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300    9.3358    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 11  1  0  0  0  0
  2  4  2  0  0  0  0
  4 25  1  0  0  0  0
  5 28  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  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
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,841)
1961

>  <Formula> (1,841)
C24H20N4O2

>  <MolWeight> (1,841)
396.4412

>  <Cat> (1,841)
S6952

>  <Name> (1,841)
MK-28

>  <Target> (1,841)
PERK

>  <Form> (1,841)
Free base

>  <CAS> (1,841)
864388-65-8

>  <URL> (1,841)
https://www.selleckchem.com/products/mk-28.html

$$$$
4-[2-(Difluoromethyl)-1H-benzimidazol-1-yl]-N-[1,1-dimethyl-2-[2-(1-methyl-4-...
csChFnd80/09132414022D

 42 47  0  0  0  0  0  0  0  0999 V2000
   11.0752   10.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3953   11.7686    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0586    7.7002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7249    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0576    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7249    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3913    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0801   10.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3101   12.2650    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 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
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 17 18  2  0  0  0  0
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 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 37  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  2  0  0  0  0
 35 36  1  0  0  0  0
 37 38  1  0  0  0  0
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 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (1,842)
1962

>  <Formula> (1,842)
C31H38F2N8O

>  <MolWeight> (1,842)
576.6832264

>  <Cat> (1,842)
S3575

>  <Name> (1,842)
Zandelisib

>  <Synonyms> (1,842)
ME-401; PWT-143

>  <Target> (1,842)
PI3K

>  <Form> (1,842)
Free base

>  <CAS> (1,842)
1401436-95-0

>  <URL> (1,842)
https://www.selleckchem.com/products/zandelisib.html

$$$$
Urea, Nâ²-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethyl-1-piperazinyl)p..
csChFnd80/09132414022D

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    6.6685    9.2401    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.6673   11.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    6.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6707    6.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.0067   11.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3403   10.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    8.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6697    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.6730    9.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1302    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2102    1.5400    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 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 24  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
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 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
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 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
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 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
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 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 38  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
 39 43  1  0  0  0  0
M  END
>  <Mol_ID> (1,843)
1963

>  <Formula> (1,843)
C26H34Cl2N7O7P

>  <MolWeight> (1,843)
658.470621

>  <Cat> (1,843)
E4474

>  <Name> (1,843)
Infigratinib Phosphate

>  <Synonyms> (1,843)
NVP-BGJ398 phosphate

>  <Target> (1,843)
FGFR

>  <Form> (1,843)
Phosphate 

>  <CAS> (1,843)
1310746-10-1

>  <URL> (1,843)
https://www.selleckchem.com/products/infigratinib-phosphate.html

$$$$
N-[5-[3-[[(4-Hydroxyphenyl)amino]sulfonyl]-4-methoxyphenyl]-4-methyl-2-thiazo...
csChFnd80/09132414022D

 32 34  0  0  0  0  0  0  0  0999 V2000
    6.9300    5.3779    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    6.7117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5964    4.6079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9793    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1657    4.3858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5726    3.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7336    2.2278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.0644    5.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9198    3.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9198    1.9406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    6.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    8.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    5.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    8.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    6.7117    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  2  0  0  0  0
  1 16  1  0  0  0  0
  2 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 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
 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
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 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,844)
1964

>  <Formula> (1,844)
C22H25N3O5S2

>  <MolWeight> (1,844)
475.581

>  <Cat> (1,844)
E2981

>  <Name> (1,844)
PI4KIIIbeta-IN-10

>  <Target> (1,844)
PI4K

>  <Form> (1,844)
Free base

>  <CAS> (1,844)
1881233-39-1

>  <URL> (1,844)
https://www.selleckchem.com/products/pi4kiiibeta-in-10.html

$$$$
1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
csChFnd80/09132414022D

 16 18  0  0  0  0  0  0  0  0999 V2000
    9.5988    2.4581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    3.7827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5252    2.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2050    1.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100    2.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    2.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,845)
1965

>  <Formula> (1,845)
C11H9N5

>  <MolWeight> (1,845)
211.22266

>  <Cat> (1,845)
E2980

>  <Name> (1,845)
4-AMino-1-phenylpyrazolo[3,4-d]pyriMidine

>  <Synonyms> (1,845)
PP 3

>  <Target> (1,845)
EGFR

>  <Form> (1,845)
Free base

>  <CAS> (1,845)
5334-30-5

>  <URL> (1,845)
https://www.selleckchem.com/products/4-amino-1-phenylpyrazolo-3-4-d-pyrimidine.html

$$$$
Recilisib
csChFnd80/09132414022D

 22 23  0  0  0  0  0  0  0  0999 V2000
    9.3360    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6687    4.6201    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6708    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6698    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0035    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6698    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3372    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6675    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3338    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
  4 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 16  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 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
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,846)
1966

>  <Formula> (1,846)
C16H13ClO4S

>  <MolWeight> (1,846)
336.79002

>  <Cat> (1,846)
E2947

>  <Name> (1,846)
Recilisib

>  <Synonyms> (1,846)
ON 01210, EX-RAD

>  <Target> (1,846)
AKT

>  <Form> (1,846)
Salt

>  <CAS> (1,846)
334969-03-8

>  <URL> (1,846)
https://www.selleckchem.com/products/recilisib.html

$$$$
(2E)-3-(5-Methoxy-2-methyl-1H-indol-3-yl)-1-(4-pyridinyl)-2-propen-1-one
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.9300    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    5.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    6.4384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5674    0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9851    3.8614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4498    3.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2317    2.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5518    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3761    3.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0737    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2181    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0164    0.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8407    2.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1609    1.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    5.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    6.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    6.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  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 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  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
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,847)
1967

>  <Formula> (1,847)
C18H16N2O2

>  <MolWeight> (1,847)
292.33184

>  <Cat> (1,847)
E2933

>  <Name> (1,847)
MOMIPP

>  <Target> (1,847)
PIKfyve

>  <Form> (1,847)
Free base

>  <CAS> (1,847)
1363421-46-8

>  <URL> (1,847)
https://www.selleckchem.com/products/momipp.html

$$$$
Ethanone, 1-(2-pyridinyl)-, 2-(1-methyl-1H-benzimidazol-2-yl)hydrazone, hydro...
csChFnd80/09132414022D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.0203    1.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0811    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4148    3.8501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7485    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7485    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    5.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    4.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5864    5.3816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    7.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3405    3.2236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7475    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    7.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0823    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0823    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4160    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4160    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7496    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7496    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3748    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  3  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  CFW   3 B_NG_STER 3
M  END
>  <Mol_ID> (1,848)
1968

>  <Formula> (1,848)
C15H16ClN5

>  <MolWeight> (1,848)
301.77404

>  <Cat> (1,848)
E2932

>  <Name> (1,848)
SI-2 Hydrochloride

>  <Synonyms> (1,848)
EPH 116 Hydrochloride

>  <Target> (1,848)
Others

>  <Form> (1,848)
hydrochloride

>  <CAS> (1,848)
1992052-49-9

>  <URL> (1,848)
https://www.selleckchem.com/products/si-2-hydrochloride.html

$$$$
5,6-Dichloro-1-(Î²-D-ribofuranosyl)benzimidazole
csChFnd80/09132414022D

 20 22  0  0  1  0  0  0  0  0999 V2000
    1.6752    6.4219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5389    2.7377    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3864    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0789    5.4052    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9524    5.7253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4589    5.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7915    7.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2289    6.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2289    4.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1983    7.8834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7689    6.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7689    4.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5389    5.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080    4.6949    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9690    3.1634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3016    5.0151    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5621    2.5369    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5316    3.6814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  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
  9 12  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16  7  1  6  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18  1  1  1  0  0  0
 18 20  1  0  0  0  0
 19  3  1  6  0  0  0
 19 20  1  0  0  0  0
 20  5  1  1  0  0  0
M  END
>  <Mol_ID> (1,849)
1969

>  <Formula> (1,849)
C12H12Cl2N2O4

>  <MolWeight> (1,849)
319.14068

>  <Cat> (1,849)
E2914

>  <Name> (1,849)
5,6-Dichlorobenzimidazole 1-beta-D-ribofuranoside

>  <Synonyms> (1,849)
DRB

>  <Target> (1,849)
Casein Kinase

>  <Form> (1,849)
Free base

>  <CAS> (1,849)
53-85-0

>  <URL> (1,849)
https://www.selleckchem.com/products/5-6-dichlorobenzimidazole-1-beta-d-ribofuranoside.

$$$$
(3R)-7-[[4-Cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydroc...
csChFnd80/09132414022D

 33 37  0  0  0  0  0  0  0  0999 V2000
   18.1875    6.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5945    5.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8404    6.4099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7554    3.9731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1059    4.1618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7722    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2074    6.2655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1037    5.7018    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6674    3.5981    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5718    4.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4769    5.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1071    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4769    3.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9416    5.2260    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5718    6.9477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1071    6.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7734    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9416    3.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7734    7.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4396    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4397    6.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4386    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1047    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4386    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7711    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1047    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7711    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2765    0.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0306    2.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3337    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
  2  4  2  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6 23  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
  7 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  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
 15  1  1  1  0  0  0
 15 19  1  0  0  0  0
 16 17  1  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
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  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
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,850)
1970

>  <Formula> (1,850)
C26H26F3NO3

>  <MolWeight> (1,850)
457.4847496

>  <Cat> (1,850)
E2363

>  <Name> (1,850)
Etrasimod(APD334)

>  <Synonyms> (1,850)
APD334

>  <Target> (1,850)
S1P Receptor

>  <Form> (1,850)
Free base

>  <CAS> (1,850)
1206123-37-6

>  <URL> (1,850)
https://www.selleckchem.com/products/apd334.html

$$$$
(2,6-Dimethyl-4-pyridinyl)[4-[7-(trans-4-hydroxycyclohexyl)-2-[[(1S)-1-methyl...
csChFnd80/09132414022D

 38 42  0  0  0  0  0  0  0  0999 V2000
    3.9646    9.0663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888   10.5308    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9823   10.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5192   11.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5064   12.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7176    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2254   10.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2254   12.0993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5602   10.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8927    5.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4532    6.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    8.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2233    5.6275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9468    7.2814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8906    7.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0078    9.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7296    5.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4709    8.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5014    9.8905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5968    4.2206    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0652    4.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5020    2.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4389    2.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8757    1.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3441    1.4068    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2243    8.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5580    7.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2243    9.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8916    8.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5580   10.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8916    9.7893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5591    9.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8927   10.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5591    8.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2264    9.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8927    7.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2264    8.2493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  2  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 20  1  0  0  0  0
 19 20  2  0  0  0  0
 21 14  1  6  0  0  0
 21 22  1  0  0  0  0
 21 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
 25 26  1  0  0  0  0
 26  7  1  1  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  2  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <Mol_ID> (1,851)
1971

>  <Formula> (1,851)
C30H42N6O2

>  <MolWeight> (1,851)
518.69348

>  <Cat> (1,851)
E1744

>  <Name> (1,851)
UNC5293

>  <Target> (1,851)
Mertk

>  <Form> (1,851)
Free base

>  <CAS> (1,851)
2226789-82-6

>  <URL> (1,851)
https://www.selleckchem.com/products/unc5293.html

$$$$
6-Chloro-10,11,14,17-tetrahydro-13H-1,16-etheno-4,8-metheno-1H-pyrazolo[3,4-g...
csChFnd80/09132414022D

 23 26  0  0  0  0  0  0  0  0999 V2000
    9.9668    3.1573    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4025    5.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9333    6.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1134    4.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1274    7.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6562    7.6001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7874    5.0764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3472    3.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6566    4.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0342    8.3033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1966    8.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3335    5.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200    1.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4277    3.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0295    7.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1011    4.7422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6562    1.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1285    0.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6558    0.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2017    2.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4628    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0493    0.7572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  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  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 17  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,852)
1972

>  <Formula> (1,852)
C16H15ClN4O2

>  <MolWeight> (1,852)
330.7689

>  <Cat> (1,852)
E1734

>  <Name> (1,852)
OD36

>  <Target> (1,852)
RIP kinase

>  <Form> (1,852)
Free base

>  <CAS> (1,852)
1638644-62-8

>  <URL> (1,852)
https://www.selleckchem.com/products/od36.html

$$$$
>  <Mol_ID> (1,853)
1973

>  <Cat> (1,853)
E1732

>  <Name> (1,853)
Itacnosertib (TP-0184)

>  <Synonyms> (1,853)
TP-0184

>  <Target> (1,853)
ALK

>  <Form> (1,853)
Salt

>  <CAS> (1,853)
1628870-27-8

>  <URL> (1,853)
https://www.selleckchem.com/products/itacnosertib.html

$$$$
4-[4-(4-Methoxyphenyl)-5-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]th...
csChFnd80/09132414022D

 33 37  0  0  0  0  0  0  0  0999 V2000
    8.2356    5.7494    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6426    6.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6216    0.3202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1152    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4182    4.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5252    6.1786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    7.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898    6.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5252    8.6705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898    8.1947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0492    4.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5429    4.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0798    3.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0671    2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6039    2.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0975    1.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    7.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    8.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    6.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    8.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    6.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8884    5.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3530    5.9464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8884    3.9305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2582    4.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3530    3.4547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7982    4.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5682    3.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5682    6.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1082    3.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1082    6.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8782    4.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  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
 14 16  2  0  0  0  0
 15 16  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
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,854)
1974

>  <Formula> (1,854)
C24H20N6O2S

>  <MolWeight> (1,854)
456.5196

>  <Cat> (1,854)
E1731

>  <Name> (1,854)
JW74

>  <Target> (1,854)
Wnt/beta-catenin

>  <Form> (1,854)
Free base/ Salt

>  <CAS> (1,854)
863405-60-1

>  <URL> (1,854)
https://www.selleckchem.com/products/jw74.html

$$$$

csChFnd80/09132414022D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.5818    3.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2818    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9818    1.2124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7694    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6818    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493    7.2185    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9137    1.7408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7818    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4122    6.3533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4818    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4818    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2660    7.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5450    8.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8817    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8817    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5818    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    5.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    5.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    4.0470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    3.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    3.5429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1942    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3405    3.3047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4732    1.3429    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7100    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4100    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  6 18  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 17  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 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  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
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,855)
1975

>  <Formula> (1,855)
C19H16ClN5OS

>  <MolWeight> (1,855)
397.88124

>  <Cat> (1,855)
E1714

>  <Name> (1,855)
B022

>  <Target> (1,855)
NF-¦ÊB

>  <Form> (1,855)
Free base

>  <CAS> (1,855)
1202764-53-1

>  <URL> (1,855)
https://www.selleckchem.com/products/b022.html

$$$$
(2R)-2-[[4-Amino-5-(4-methoxybenzoyl)-2-thiazolyl](4-fluorophenyl)amino]propa...
csChFnd80/09132414022D

 29 31  0  0  1  0  0  0  0  0999 V2000
    6.1601    4.0010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9301    2.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1601    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4701    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    1.3337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9301    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1888    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3497    9.1601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    9.3036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.1725    4.0076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5793    4.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9301    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4617    5.4957    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3038    6.7416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7818    7.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4482    7.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8501    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8501    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4347    6.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8415    7.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2737    5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875    6.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5196    4.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9264    4.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  6  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  7 24  1  0  0  0  0
  9 17  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  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
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,856)
1976

>  <Formula> (1,856)
C20H19FN4O3S

>  <MolWeight> (1,856)
414.4532632

>  <Cat> (1,856)
E1692

>  <Name> (1,856)
BAY 2965501

>  <Target> (1,856)
Others

>  <Form> (1,856)
Free base

>  <CAS> (1,856)
2732902-08-6

>  <URL> (1,856)
https://www.selleckchem.com/products/bay-2965501.html

$$$$
N-[5-(2-Methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-3-piperidinylo...
csChFnd80/09132414022D

 28 31  0  0  0  0  0  0  0  0999 V2000
   14.9174    1.2459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8226    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    5.0257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.2333    4.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    5.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1070    3.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0765    4.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3370    2.4040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696    4.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8305    2.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6385    3.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5438    2.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2650    5.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0753    2.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7966    5.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7018    4.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    4.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    5.0257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    2.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    4.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    1.9457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    4.2557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6675    2.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    5.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
  4 16  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  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
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 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
 21 22  1  0  0  0  0
 23  5  1  6  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,857)
1977

>  <Formula> (1,857)
C19H23N7O2

>  <MolWeight> (1,857)
381.43162

>  <Cat> (1,857)
E1667

>  <Name> (1,857)
LY2880070

>  <Target> (1,857)
Chk

>  <Form> (1,857)
Free base

>  <CAS> (1,857)
1375637-35-6

>  <URL> (1,857)
https://www.selleckchem.com/products/ly2880070.html

$$$$
(10R)-3-[[2-Chloro-5-(ethoxymethyl)-4-pyrimidinyl]oxy]-9,10,11,12-tetrahydro-...
csChFnd80/09132414022D

 32 36  0  0  1  0  0  0  0  0999 V2000
    0.0000    5.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3039    0.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1965    5.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2765    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8165    5.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5865    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1265    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1965    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0364    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0060    4.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5764    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2664    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5991    4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3935    2.6998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3464    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3464    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7602    6.3482    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0364    8.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2322    4.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4696    1.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8864    6.6685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5764    8.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8864    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9346    2.5963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9304    1.4216    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6564    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9665    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5065    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1965    2.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2765    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9665    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5065    1.3336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 18 22  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  1  0  0  0  0
 25  2  1  1  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  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> (1,858)
1978

>  <Formula> (1,858)
C22H20ClN5O3S

>  <MolWeight> (1,858)
469.9439

>  <Cat> (1,858)
E1657

>  <Name> (1,858)
Gamcemetinib (CC-99677)

>  <Synonyms> (1,858)
BMS-986371

>  <Target> (1,858)
MAPKAPK2

>  <Form> (1,858)
Free base

>  <CAS> (1,858)
1887069-10-4

>  <URL> (1,858)
https://www.selleckchem.com/products/cc-99677.html

$$$$
N-[4-[[4-[(5-Cyclopentyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]amino]phenyl]-N...
csChFnd80/09132414022D

 38 42  0  0  0  0  0  0  0  0999 V2000
   20.0055    4.4137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6707    4.4137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    1.3337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    1.3337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    3.6437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5637    2.6675    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5637    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1037    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   23.7766    3.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7461    4.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0066    1.7920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5003    2.1122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.3083    3.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3387    2.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0783    4.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7456    2.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5846    4.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6718    3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    4.4137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6718    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    2.1037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    4.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 21  1  0  0  0  0
  2 24  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 33  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
  7 36  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 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 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  2  0  0  0  0
 36 38  2  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <Mol_ID> (1,859)
1980

>  <Formula> (1,859)
C26H25F3N8O

>  <MolWeight> (1,859)
522.5249096

>  <Cat> (1,859)
E1651

>  <Name> (1,859)
CD532

>  <Target> (1,859)
Aurora Kinase

>  <Form> (1,859)
Free base

>  <CAS> (1,859)
1639009-81-6

>  <URL> (1,859)
https://www.selleckchem.com/products/cd532.html

$$$$
(3S)-N-[3-[2-[[(1R)-2-Hydroxy-1-methylethyl]amino]-6-(4-morpholinyl)-4-pyridi...
csChFnd80/09132414022D

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.6685   10.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0010    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    6.9301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    9.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6396    6.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5448    5.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2989    4.4219    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   20.4500    4.0812    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   20.7907    6.2323    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0021    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358   10.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    7.7001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337   10.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6706    6.9301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0776    7.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8317    5.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1080    6.4121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3380    5.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  1  0  0  0
  4  6  1  0  0  0  0
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  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 21  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 10  1  6  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (1,860)
1981

>  <Formula> (1,860)
C26H34F3N5O3

>  <MolWeight> (1,860)
521.5750696

>  <Cat> (1,860)
E1649

>  <Name> (1,860)
Exarafenib

>  <Synonyms> (1,860)
KIN-002787, KIN-2787, RAF/KIN_2787

>  <Target> (1,860)
Raf

>  <Form> (1,860)
Free base

>  <CAS> (1,860)
2639957-39-2

>  <URL> (1,860)
https://www.selleckchem.com/products/exarafenib.html

$$$$
3-Pyridinol, 2,6-bis(2-amino-4-pyrimidinyl)-, hydrochloride (1:3)
csChFnd80/09132414022D

 22 23  0  0  0  0  0  0  0  0999 V2000
    4.0010    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    3.8501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.8501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    6.1601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    3.8501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    6.1601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2 13  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 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
M  END
>  <Mol_ID> (1,861)
1982

>  <Formula> (1,861)
C13H12ClN7O

>  <MolWeight> (1,861)
317.73368

>  <Cat> (1,861)
E1605

>  <Name> (1,861)
Avotaciclib trihydrochloride

>  <Synonyms> (1,861)
BEY1107 trihydrochloride

>  <Target> (1,861)
CDK

>  <Form> (1,861)
Trihydrochloride salt

>  <CAS> (1,861)
1983984-01-5

>  <URL> (1,861)
https://www.selleckchem.com/products/avotaciclib-trihydrochloride.html

$$$$
Ethanone, 1-[7-[[2-[[4-(4-ethyl-1-piperazinyl)phenyl]amino]-4-pyridinyl]amino...
csChFnd80/09132414022D

 34 38  0  0  0  0  0  0  0  0999 V2000
    5.1457    4.1156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1885    1.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7126    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6949    1.7849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4805    4.1156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8164    9.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1502    8.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782    4.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8119    4.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1446    4.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1580    2.6091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8119    6.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1446    6.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6265    2.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782    7.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4794    4.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8131    4.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4794    6.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1467    4.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8131    7.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1467    6.4256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8142    4.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1479    4.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8142    6.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4816    4.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1479    7.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4816    6.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8154    7.1957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8154    8.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1490    6.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1490    9.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4827    7.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4827    8.7357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 11  1  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 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 15  1  0  0  0  0
 14 16  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
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  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
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,862)
1983

>  <Formula> (1,862)
C27H32N6O

>  <MolWeight> (1,862)
456.58258

>  <Cat> (1,862)
E1579

>  <Name> (1,862)
UCL-TRO-1938

>  <Target> (1,862)
PI3K

>  <Form> (1,862)
Free base

>  <CAS> (1,862)
2919575-27-0

>  <URL> (1,862)
https://www.selleckchem.com/products/ucl-tro-1938.html

$$$$
7-(2-Amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-5-pyrimidinyl)-4-[(2S,5R)-2,5...
csChFnd80/09132414022D

 44 50  0  0  1  0  0  0  0  0999 V2000
    4.6200   10.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.6673    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400   10.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0011    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    1.3336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300    6.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1700    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    6.6684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    9.3358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    8.0021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    5.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    9.3358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    3.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4136    4.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800   10.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800   12.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4136   11.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    8.0021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    9.3358    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0100    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    6.6684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3200    8.0021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 26  1  0  0  0  0
  4 40  1  0  0  0  0
  5 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 38  1  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 23 33  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 25 39  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34  3  1  1  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37  6  1  6  0  0  0
 37 38  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  2  0  0  0  0
 42 44  2  0  0  0  0
 43 44  1  0  0  0  0
M  END
>  <Mol_ID> (1,863)
1984

>  <Formula> (1,863)
C32H32F2N8O2

>  <MolWeight> (1,863)
598.6456864

>  <Cat> (1,863)
E1578

>  <Name> (1,863)
garsorasib (D-1553 )

>  <Target> (1,863)
Ras

>  <Form> (1,863)
Free base

>  <CAS> (1,863)
2559761-14-5

>  <URL> (1,863)
https://www.selleckchem.com/products/d-1553.html

$$$$
N-[2-Chloro-5-[(dimethylamino)sulfonyl]phenyl]-2-propenamide
csChFnd80/09132414022D

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.3101    5.3348    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    6.6687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437    6.1048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9764    4.5648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    2.6675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    5.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0102    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    1.3337    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  2  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,864)
1985

>  <Formula> (1,864)
C11H13ClN2O3S

>  <MolWeight> (1,864)
288.75052

>  <Cat> (1,864)
E1575

>  <Name> (1,864)
EN450

>  <Target> (1,864)
NF-¦ÊB

>  <Form> (1,864)
Free base

>  <CAS> (1,864)
793719-01-4

>  <URL> (1,864)
https://www.selleckchem.com/products/en450.html

$$$$
N-[(1R,2R)-2-Methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo[1(2H),2â²-bipyridin]..
csChFnd80/09132414022D

 34 38  0  0  1  0  0  0  0  0999 V2000
   13.9437    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4499    6.8807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9131    7.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    0.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    5.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7627    8.5686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9070    9.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    6.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4677    5.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    5.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4677    2.6041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3729    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3357    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3357    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9258    8.3453    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.2980    9.0444    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.2266    9.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5988   10.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9300    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 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  6 17  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  9 24  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19  2  1  6  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20  7  1  1  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,865)
1986

>  <Formula> (1,865)
C23H24N8O3

>  <MolWeight> (1,865)
460.48846

>  <Cat> (1,865)
E1526

>  <Name> (1,865)
Zasocitinib

>  <Synonyms> (1,865)
NDI-034858; TAK-279

>  <Target> (1,865)
JAK

>  <Form> (1,865)
Free base

>  <CAS> (1,865)
2272904-53-5

>  <URL> (1,865)
https://www.selleckchem.com/products/zasocitinib.html

$$$$
4,5-Dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxa...
csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.9910    1.8517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3249    2.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3249    4.1618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3855    3.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6275    1.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9900    2.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9900    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5253    2.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3237    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5253    4.6376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3237    4.9318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    3.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6574    2.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6574    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    3.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    2.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6585    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0653    2.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8194    0.3202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0959    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3259    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,866)
1988

>  <Formula> (1,866)
C19H17N5O

>  <MolWeight> (1,866)
331.37118

>  <Cat> (1,866)
E1509

>  <Name> (1,866)
Bezuclastinib

>  <Synonyms> (1,866)
CGT9486, PLX 9486

>  <Target> (1,866)
c-Kit

>  <Form> (1,866)
Free base

>  <CAS> (1,866)
1616385-51-3

>  <URL> (1,866)
https://www.selleckchem.com/products/bezuclastinib.html

$$$$
3-Pyridinecarboxamide, 2-amino-N-(4-hydroxybicyclo[2.2.2]oct-1-yl)-5-[4-[(1R,...
csChFnd80/09132414022D

 46 51  0  0  0  0  0  0  0  0999 V2000
   15.6043   10.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9381   11.2223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6043    8.9123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6043   13.5323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.2728    8.1423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2686    8.1423    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3634    6.8964    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8949    6.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3634    9.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8987    7.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8987    8.9123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6022    8.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9359    8.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6022   10.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2695    8.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9359   11.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2695   10.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6528    9.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    9.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8137   11.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5679   12.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1611   11.6278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6033   11.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9370   10.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6033   12.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2706   11.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9370   13.5323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2706   12.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2717   10.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2711    8.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6058   11.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3987   10.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6049    8.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9396   10.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3768    9.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9390    8.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0432    5.3900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4696    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8032    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1369    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8022    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1369    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4707    1.5400    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 27  1  0  0  0  0
  2 30  1  0  0  0  0
  4 29  1  0  0  0  0
  5 37  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
  6 12  1  1  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 38  1  1  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 34 37  1  0  0  0  0
 35 37  1  0  0  0  0
 36 37  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  2  0  0  0  0
 42 45  1  0  0  0  0
 42 46  2  0  0  0  0
M  END
>  <Mol_ID> (1,867)
1989

>  <Formula> (1,867)
C34H42N4O7

>  <MolWeight> (1,867)
618.71988

>  <Cat> (1,867)
E1507

>  <Name> (1,867)
Zilurgisertib fumarate

>  <Synonyms> (1,867)
INCB-000928 fumarate, NBU-928 fumarate

>  <Target> (1,867)
ALK

>  <Form> (1,867)
Fumarate

>  <CAS> (1,867)
2173390-30-0

>  <URL> (1,867)
https://www.selleckchem.com/products/zilurgisertib-fumarate.html

$$$$
1,5-Anhydro-3-[[5-chloro-4-[4-fluoro-2-(1-hydroxy-1-methylethyl)-1-(1-methyle...
csChFnd80/09132414022D

 32 35  0  0  0  0  0  0  0  0999 V2000
    3.5092    5.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398    6.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0029    6.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7834    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1172    6.9300    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.4519    3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1192    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4498    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4498    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851    4.3259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7834    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9852    1.8341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7834    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1172    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1172    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4508    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7845    3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4508    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1181    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7845    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1181    6.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7855    4.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.1192    3.8500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.7855    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4528    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1192    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4528    6.1600    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 14  1  0  0  0  0
  4 17  1  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
  5 18  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 17 20  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 27 10  1  6  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 11  1  1  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,868)
1990

>  <Formula> (1,868)
C22H27ClFN5O3

>  <MolWeight> (1,868)
463.9328832

>  <Cat> (1,868)
E1495

>  <Name> (1,868)
PF-07220060 (CDK4/6-IN-6)

>  <Synonyms> (1,868)
CDK4/6-IN-6

>  <Target> (1,868)
CDK

>  <Form> (1,868)
Free base

>  <CAS> (1,868)
2380321-51-5

>  <URL> (1,868)
https://www.selleckchem.com/products/pf-07220060.html

$$$$
5-Methyl-N-[5-(2-pyrazinyl)-2-pyridinyl]-4-[2-(trifluoromethyl)-4-pyridinyl]-...
csChFnd80/09132414022D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.8298    6.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8905    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2242    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5578    5.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2242    3.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459    1.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8373    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3408    0.6862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4919    1.0269    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1195    4.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1499    5.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8895    2.7682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5567    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3958    3.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5878    4.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6828    3.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9615    5.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511    3.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5248    4.5848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8915    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2253    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8915    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5589    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2253    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5589    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8926    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8926    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2262    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.2262    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5600    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5600    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4 21  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
  6 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  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
 27 29  2  0  0  0  0
 28 30  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> (1,869)
1991

>  <Formula> (1,869)
C21H16F3N7O

>  <MolWeight> (1,869)
439.3932496

>  <Cat> (1,869)
E1486

>  <Name> (1,869)
Zamaporvint (RXC004)

>  <Target> (1,869)
Wnt/beta-catenin

>  <Form> (1,869)
Free base

>  <CAS> (1,869)
1900754-56-4

>  <URL> (1,869)
https://www.selleckchem.com/products/rxc004.html

$$$$
2-Naphthalenecarboxamide, N-[[[4-(2-benzoxazolyl)phenyl]amino]thioxomethyl]-
csChFnd80/09132414022D

 31 35  0  0  0  0  0  0  0  0999 V2000
   10.0100    5.3349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    4.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    2.6674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.3338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1700    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0751    6.5807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0751    4.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5398    6.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5398    4.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8734    6.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8734    3.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2070    6.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2070    4.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 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
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,870)
1992

>  <Formula> (1,870)
C25H17N3O2S

>  <MolWeight> (1,870)
423.48638

>  <Cat> (1,870)
E1484

>  <Name> (1,870)
PDS-0330

>  <Target> (1,870)
Others

>  <Form> (1,870)
Free base

>  <CAS> (1,870)
2904682-19-3

>  <URL> (1,870)
https://www.selleckchem.com/products/pds-0330.html

$$$$
(2E)-N-[4-[(3-Chloro-2-fluorophenyl)amino]-7-[2-[(1R,5S)-3-methyl-3-azabicycl...
csChFnd80/09132414022D

 41 46  0  0  0  0  0  0  0  0999 V2000
   13.3370    8.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0034    9.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2865    9.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    7.7001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348   11.5502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675   10.0101    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.5502    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.6707    7.7001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.5759    6.4542    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0444    6.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5759    8.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0406    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0406    8.4701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696   10.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    9.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696   11.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023   10.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359   12.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023   11.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359   13.8602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686   12.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023   14.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686   13.8602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011   12.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675   11.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011   13.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338   12.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675   14.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338   13.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8961    4.9478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2 19  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 35  1  0  0  0  0
 10 26  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 32  1  0  0  0  0
 13  1  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 41  1  6  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 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
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,871)
1993

>  <Formula> (1,871)
C30H30ClFN6O2

>  <MolWeight> (1,871)
561.0496032

>  <Cat> (1,871)
E1478

>  <Name> (1,871)
BDTX-1535

>  <Synonyms> (1,871)
EGFR-IN-76

>  <Target> (1,871)
EGFR

>  <Form> (1,871)
Free base

>  <CAS> (1,871)
2607829-38-7

>  <URL> (1,871)
https://www.selleckchem.com/products/bdtx-1535.html

$$$$
6-[[3,5-Bis(1,1-dimethylethyl)phenyl](2-methylpropyl)amino]-3-pyridinecarboxy...
csChFnd80/09132414022D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.6684    3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    8.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009   10.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5636    5.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1036    2.5164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    8.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    6.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3356    3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 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
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,872)
1995

>  <Formula> (1,872)
C24H34N2O2

>  <MolWeight> (1,872)
382.53896

>  <Cat> (1,872)
E1468

>  <Name> (1,872)
MSU-42011

>  <Target> (1,872)
Retinoid Receptor

>  <Form> (1,872)
free base

>  <CAS> (1,872)
2456434-36-7

>  <URL> (1,872)
https://www.selleckchem.com/products/msu-42011.html

$$$$
5-(2-Chlorophenyl)-1,2-dihydro-3-methyl-8-(4-morpholinyl)pyrazolo[4,3-b]pyrid...
csChFnd80/09132414022D

 28 32  0  0  0  0  0  0  0  0999 V2000
    0.7075    3.7294    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7102    4.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2329    4.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5813    5.4622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0029    5.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0029    3.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6964    6.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4404    7.4116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5429    5.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5431    3.3105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9687    7.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4781    7.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3129    4.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    9.3436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9977    9.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2563    2.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7548    2.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3037    1.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3010    1.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8498    0.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3485    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8531    4.6443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6231    3.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6229    5.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1629    3.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1629    5.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9329    4.6443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 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
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,873)
1996

>  <Formula> (1,873)
C20H19ClN6O

>  <MolWeight> (1,873)
394.85746

>  <Cat> (1,873)
E1435

>  <Name> (1,873)
Tinengotinib

>  <Synonyms> (1,873)
TT-00420

>  <Target> (1,873)
Aurora Kinase

>  <Form> (1,873)
Free base

>  <CAS> (1,873)
2230490-29-4

>  <URL> (1,873)
https://www.selleckchem.com/products/tinengotinib.html

$$$$
N-[4-[4-Amino-5-[3-fluoro-4-[(4-methyl-2-pyrimidinyl)oxy]phenyl]-7-methyl-7H-...
csChFnd80/09132414022D

 38 42  0  0  0  0  0  0  0  0999 V2000
    4.7973    3.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4492    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5707    9.8045    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5834    9.1641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   10.0821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   10.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400   11.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    8.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   12.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6572   10.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4616    4.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7818    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3037    3.3404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4481    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1156    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4481    0.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1156    0.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7818    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4922    5.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0161    7.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9985    5.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0467    8.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0289    6.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5530    8.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    6.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    7.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    6.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    8.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    7.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    8.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0899    8.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1203    9.9884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5657    7.3793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6267    9.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0722    7.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1026    8.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 24  1  0  0  0  0
  4 26  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
 11 36  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  2  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <Mol_ID> (1,874)
1998

>  <Formula> (1,874)
C28H24FN7O2

>  <MolWeight> (1,874)
509.5342632

>  <Cat> (1,874)
E1431

>  <Name> (1,874)
Lirafugratinib

>  <Synonyms> (1,874)
RLY-4008

>  <Target> (1,874)
FGFR inhibitor

>  <Form> (1,874)
Free base

>  <CAS> (1,874)
2549174-42-5

>  <URL> (1,874)
https://www.selleckchem.com/products/lirafugratinib.html

$$$$
2-Amino-6-fluoro-N-[5-fluoro-4-(1-methyl-1H-imidazol-5-yl)-3-pyridinyl]pyrazo...
csChFnd80/09132414022D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.7118    4.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3779    3.9098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7118    6.2199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0620    1.3478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9715    5.4968    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0431    3.9098    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4522    4.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0454    3.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4828    3.3918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9283    6.0009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2064    2.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7128    2.0581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9891    3.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4346    6.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4650    5.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0443    4.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7106    3.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0443    6.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3769    4.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7106    6.9899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3769    6.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7106    2.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9565    1.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4647    1.4646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4806    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  9  1  0  0  0  0
  2 17  1  0  0  0  0
  4 12  1  0  0  0  0
  5 16  1  0  0  0  0
  6 20  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  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 13  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  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
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,875)
2000

>  <Formula> (1,875)
C16H12F2N8O

>  <MolWeight> (1,875)
370.3162864

>  <Cat> (1,875)
E1411

>  <Name> (1,875)
Tuvusertib

>  <Synonyms> (1,875)
M1774, ATR inhibitor 1

>  <Target> (1,875)
ATM/ATR

>  <Form> (1,875)
free base

>  <CAS> (1,875)
1613200-51-3

>  <URL> (1,875)
https://www.selleckchem.com/products/tuvusertib.html

$$$$
3-[[4-[Methyl[4-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]phenyl]am...
csChFnd80/09132414022D

 40 43  0  0  0  0  0  0  0  0999 V2000
   12.0035    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0035    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6687    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3383    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    2.3101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    1.5400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1038    0.2064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5638    2.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3405    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6742    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6742    3.8501    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.0080    3.0801    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.0080    1.5400    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    3.8501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6731    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0068    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6731    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0068    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 23  1  0  0  0  0
  3 20  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 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
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  2  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,876)
2001

>  <Formula> (1,876)
C25H22F3N7O4S

>  <MolWeight> (1,876)
573.5468896

>  <Cat> (1,876)
E1395

>  <Name> (1,876)
GW806742X

>  <Target> (1,876)
Mixed Lineage Kinase

>  <Form> (1,876)
free base

>  <CAS> (1,876)
579515-63-2

>  <URL> (1,876)
https://www.selleckchem.com/products/gw806742x.html

$$$$
2-Methyldibenz[cd,g]indazol-6(2H)-one
csChFnd80/09132414022D

 18 21  0  0  0  0  0  0  0  0999 V2000
    6.1503    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1363    2.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8635    4.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8436    1.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6377    2.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4175    3.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7408    5.0970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3949    1.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9703    0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3797    4.3811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7711    1.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    2.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    5.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    0.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7276    2.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7276    5.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4976    3.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 11  1  0  0  0  0
  3  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
  4  8  2  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
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,877)
2002

>  <Formula> (1,877)
C15H10N2O

>  <MolWeight> (1,877)
234.2527

>  <Cat> (1,877)
E1391

>  <Name> (1,877)
SP 600125, negative control

>  <Synonyms> (1,877)
JNK inhibitor II, negative control

>  <Target> (1,877)
JNK

>  <Form> (1,877)
free base

>  <CAS> (1,877)
54642-23-8

>  <URL> (1,877)
https://www.selleckchem.com/products/sp-600125.html

$$$$
(5S,10aS)-5-(5-Chloro-1H-indol-3-yl)-8,9,10a,11-tetrahydro-9-methyl-5H-1,3-di...
csChFnd80/09132414022D

 31 36  0  0  1  0  0  0  0  0999 V2000
    7.5951    7.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6752    2.4782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2152    5.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0553    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0551    5.1457    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2851    3.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5951    5.1457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0551    2.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7450    3.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3651    3.8119    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3651    6.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5951    2.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2851    1.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750    2.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9052    3.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9052    6.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7450    1.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4687    2.1580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6752    5.1457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3078    0.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2851    6.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7535    6.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9116    7.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4333    8.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6091    5.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7670    8.9168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9686    8.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1444    6.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8242    7.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1351    2.4782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 15  2  0  0  0  0
  3 19  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  1  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 31  1  1  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 21  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
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,878)
2003

>  <Formula> (1,878)
C22H18ClN3O4

>  <MolWeight> (1,878)
423.84902

>  <Cat> (1,878)
E1388

>  <Name> (1,878)
ISA-2011B

>  <Target> (1,878)
Others

>  <Form> (1,878)
free base

>  <CAS> (1,878)
1395347-24-6

>  <URL> (1,878)
https://www.selleckchem.com/products/isa-2011b.html

$$$$
3-[[4-[1-[[(3S)-1-[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoin...
csChFnd80/09132414022D

 53 60  0  0  1  0  0  0  0  0999 V2000
   22.0597    2.9260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2647    7.8784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0462    7.0380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1819    2.7221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    0.0000    0.0000 N   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
   21.0762    5.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7027    6.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2208    4.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5447    5.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2343    6.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7975    8.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5544    5.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6395    6.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2658    7.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9612    4.6012    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   26.2071    5.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1223    3.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6140    4.8800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.5291    2.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7750    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1079    6.4120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0775    7.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3379    5.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6706    6.9300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8315    5.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    6.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    6.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338   10.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 14  2  0  0  0  0
  3 20  2  0  0  0  0
  4 30  1  0  0  0  0
  5 24  2  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 17 25  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28  4  1  1  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
 40 41  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 43 45  2  0  0  0  0
 44 46  1  0  0  0  0
 45 47  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 49 51  1  0  0  0  0
 50 52  1  0  0  0  0
 51 53  1  0  0  0  0
 52 53  1  0  0  0  0
M  END
>  <Mol_ID> (1,879)
2004

>  <Formula> (1,879)
C39H45N9O5

>  <MolWeight> (1,879)
719.8319

>  <Cat> (1,879)
E1381

>  <Name> (1,879)
NX-2127

>  <Target> (1,879)
BTK

>  <Form> (1,879)
free base

>  <CAS> (1,879)
2416131-46-7

>  <URL> (1,879)
https://www.selleckchem.com/products/nx-2127.html

$$$$
3-[[5-(1-Azetidinylcarbonyl)-2-pyrazinyl]oxy]-5-[(1S)-2-methoxy-1-methylethox...
csChFnd80/09132414022D

 35 38  0  0  1  0  0  0  0  0999 V2000
    8.4177   10.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0378    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8078    9.3359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8078    6.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4177    5.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1878    4.0011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4177    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7278    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1878    1.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4177    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2577   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4877    9.3359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9679    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1878    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7278    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4177    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4978    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1878    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7278    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1077    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1077   12.0032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5677    9.3359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5677   12.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7977   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3478    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1178    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1178   10.6696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6579    8.0023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6579   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4279    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4877   12.0032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   13.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3987   13.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 11 32  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,880)
2005

>  <Formula> (1,880)
C24H26N6O5

>  <MolWeight> (1,880)
478.50044

>  <Cat> (1,880)
E1353

>  <Name> (1,880)
AZD1656

>  <Target> (1,880)
Carbohydrate Metabolism

>  <Form> (1,880)
free base

>  <CAS> (1,880)
919783-22-5

>  <URL> (1,880)
https://www.selleckchem.com/products/azd1656.html

$$$$
N-[(2-Amino-6-fluorophenyl)methyl]-N-[2-(tetrahydro-1,1-dioxido-2H-thiopyran-...
csChFnd80/09132414022D

 31 33  0  0  0  0  0  0  0  0999 V2000
    4.9572    8.1680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1872    6.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1872    9.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4972    8.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6471    6.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2672    9.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6641    7.7351    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9187   12.5700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3143    1.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8459    1.3706    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1534    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828    1.6926    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.0671    8.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0671   10.4916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9572    5.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3309    4.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4889    5.3396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4752    3.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8091    3.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7914   10.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5300    9.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6573   11.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1343    9.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2616   12.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8072    9.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5772   10.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5772    8.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1173   10.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1173    8.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8873    9.5016    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2 15  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  6 26  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 18  1  0  0  0  0
 13 31  2  0  0  0  0
 14 31  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,881)
2006

>  <Formula> (1,881)
C19H22F4N4O3S

>  <MolWeight> (1,881)
462.4615928

>  <Cat> (1,881)
E1328

>  <Name> (1,881)
TP-1454

>  <Target> (1,881)
PKM

>  <Form> (1,881)
free base

>  <CAS> (1,881)
2490276-04-3

>  <URL> (1,881)
https://www.selleckchem.com/products/tp-1454.html

$$$$
5-[(Cyclohexylcarbonyl)amino]-2-(phenylamino)-4-thiazolecarboxamide
csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.3763    3.8550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1463    5.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3763    6.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4070    1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9133    0.8242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3765    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2206    5.5302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8362    3.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9312    2.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9312    5.1009    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4665    3.0850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4665    4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6863    5.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4563    6.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4563    3.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9963    6.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9963    3.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7663    5.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8136    4.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5677    5.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6527    3.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1609    5.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459    2.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  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 12  2  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
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  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
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,882)
2007

>  <Formula> (1,882)
C17H20N4O2S

>  <MolWeight> (1,882)
344.4313

>  <Cat> (1,882)
E0305

>  <Name> (1,882)
UNC 3230

>  <Target> (1,882)
Others

>  <Form> (1,882)
Free base

>  <CAS> (1,882)
1031602-63-7

>  <URL> (1,882)
https://www.selleckchem.com/products/unc-3230.html

$$$$
(1Z)-1-(3-Ethyl-5-hydroxy-2(3H)-benzothiazolylidene)-2-propanone
csChFnd80/09132414022D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.5602    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0957    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6210    1.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9548    2.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2884    1.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9548    4.1486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    3.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    4.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8500    5.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2874    2.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    4.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,883)
2008

>  <Formula> (1,883)
C12H13NO2S

>  <MolWeight> (1,883)
235.30212

>  <Cat> (1,883)
S8395

>  <Name> (1,883)
INDY

>  <Target> (1,883)
DYRK

>  <Form> (1,883)
Free base

>  <CAS> (1,883)
1169755-45-6

>  <URL> (1,883)
https://www.selleckchem.com/products/indy.html

$$$$
2-(4-Methyl-1-piperazinyl)-N-[6-(1-methyl-1H-pyrazol-4-yl)-3-isoquinolinyl]-4...
csChFnd80/09132414022D

 32 36  0  0  0  0  0  0  0  0999 V2000
   10.6697    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Target> (1,885)
ROCK

>  <Form> (1,885)
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>  <URL> (1,885)
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>  <Formula> (1,886)
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>  <MolWeight> (1,886)
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>  <Form> (1,886)
Free base

>  <URL> (1,886)
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>  <Mol_ID> (1,887)
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>  <Formula> (1,887)
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>  <MolWeight> (1,887)
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>  <Cat> (1,887)
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>  <Target> (1,887)
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>  <Form> (1,887)
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>  <URL> (1,887)
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$$$$
(14R)-7-Ethyl-16-fluoro-2,14-dihydro-2,14-dimethyl-7H-8,12-metheno-4H-pyrazol...
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    7.7769    7.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1534    8.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9524    3.7961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0813    9.0232    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 10  1  0  0  0  0
  3 22  1  0  0  0  0
  4 25  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  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
  9 13  2  0  0  0  0
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 10 15  1  0  0  0  0
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 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  1  0  0  0  0
 26  5  1  6  0  0  0
 26 27  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,888)
2013

>  <Formula> (1,888)
C22H22FN7O

>  <MolWeight> (1,888)
419.4547832

>  <Cat> (1,888)
E1409

>  <Name> (1,888)
Zidesamtinib

>  <Synonyms> (1,888)
NVL-520, NVL520

>  <Target> (1,888)
ROS1

>  <Form> (1,888)
Free base

>  <CAS> (1,888)
2739829-00-4

>  <URL> (1,888)
https://www.selleckchem.com/products/zidesamtinib.html

$$$$

csChFnd80/09132414022D

 32 34  0  0  0  0  0  0  0  0999 V2000
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   12.1247    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
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 21 24  2  0  0  0  0
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 27 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,889)
2014

>  <Formula> (1,889)
C21H17ClF6N2O2

>  <MolWeight> (1,889)
478.8152992

>  <Cat> (1,889)
E0345

>  <Name> (1,889)
CCG-100602

>  <Synonyms> (1,889)
N/A

>  <Target> (1,889)
Rho

>  <Form> (1,889)
free base

>  <CAS> (1,889)
1207113-88-9

>  <URL> (1,889)
http://www.selleckchem.com/products/ccg-100602.html

$$$$
