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

$$$$
Bosutinib (SKI-606).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (7)
7

>  <Formula> (7)
C26H29Cl2N5O3

>  <MolWeight> (7)
530.44616

>  <Cat> (7)
S1014

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

>  <Synonyms> (7)
N/A 

>  <Target> (7)
Src

>  <Form> (7)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (8)
8

>  <Formula> (8)
C25H27FN4O3

>  <MolWeight> (8)
450.5052832

>  <Cat> (8)
S1017

>  <Name> (8)
Cediranib (AZD2171)

>  <Synonyms> (8)
Recentin 

>  <Target> (8)
VEGFR, Flt

>  <Form> (8)
Free Base

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

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

$$$$
CI1040.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (9)
9

>  <Formula> (9)
C17H14ClF2IN2O2

>  <MolWeight> (9)
478.6595364

>  <Cat> (9)
S1020

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

>  <Synonyms> (9)
N/A 

>  <Target> (9)
MEK 

>  <Form> (9)
Free Base

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

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

$$$$
Dasatinib.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (10)
10

>  <Formula> (10)
C22H26ClN7O2S

>  <MolWeight> (10)
488.00554

>  <Cat> (10)
S1021

>  <Name> (10)
Dasatinib

>  <Synonyms> (10)
BMS-354825

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

>  <Form> (10)
Free Base

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

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

$$$$
untitled.cdx
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>  <Mol_ID> (11)
11

>  <Formula> (11)
C53H84NO14P

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S1022

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

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

>  <Target> (11)
mTOR

>  <Form> (11)
Free Base

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

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

$$$$

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12

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C21H21FN6O

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392.4294432

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S1018

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

>  <Synonyms> (12)
N/A

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

>  <Form> (12)
Free base

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

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

$$$$
untitled.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (13)
13

>  <Formula> (13)
C22H24ClFN4O3

>  <MolWeight> (13)
446.9023632

>  <Cat> (13)
S1025

>  <Name> (13)
Gefitinib (ZD1839)

>  <Synonyms> (13)
N/A

>  <Target> (13)
EGFR

>  <Form> (13)
Free Base

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

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

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

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>  <Mol_ID> (14)
14

>  <Formula> (14)
C30H35N7O4S

>  <MolWeight> (14)
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>  <Cat> (14)
S1026

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

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

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

>  <Form> (14)
Mesylate

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

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

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

>  <Formula> (15)
C43H42ClFN4O10S3

>  <MolWeight> (15)
925.4607832

>  <Cat> (15)
S1028

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

>  <Synonyms> (15)
GW-57201

>  <Target> (15)
EGFR, HER2

>  <Form> (15)
Ditosylat

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

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

$$$$
untitled.cdx
csChFnd80/09132414022D

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

>  <Formula> (16)
C13H13N3O3

>  <MolWeight> (16)
259.26062

>  <Cat> (16)
S1029

>  <Name> (16)
Lenalidomide (CC-5013)

>  <Synonyms> (16)
CC-5013

>  <Target> (16)
TNF-alpha

>  <Form> (16)
Free Base

>  <CAS> (16)
191732-72-6

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

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

 38 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (17)
17

>  <Formula> (17)
C22H29N5O9P2

>  <MolWeight> (17)
569.441282

>  <Cat> (17)
S1032

>  <Name> (17)
Motesanib Diphosphate (AMG-706)

>  <Synonyms> (17)
AMG-706

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

>  <Form> (17)
Diphosphate

>  <CAS> (17)
857876-30-3

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

$$$$
untitled.cdx
csChFnd80/09132414022D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C28H22F3N7O

>  <MolWeight> (18)
529.5157896

>  <Cat> (18)
S1033

>  <Name> (18)
Nilotinib (AMN-107)

>  <Synonyms> (18)
Tasigna 

>  <Target> (18)
Bcr-Abl

>  <Form> (18)
Free Base

>  <CAS> (18)
641571-10-0

>  <URL> (18)
http://www.selleckchem.com/products/Nilotinib.html

$$$$
untitled.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C21H24ClN7O2S

>  <MolWeight> (19)
473.97896

>  <Cat> (19)
S1035

>  <Name> (19)
Pazopanib HCl

>  <Synonyms> (19)
GW786034

>  <Target> (19)
VEGFR, PDGFR, c-Kit

>  <Form> (19)
Hydrochloride

>  <CAS> (19)
635702-64-6

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

$$$$
untitled.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C16H14F3IN2O4

>  <MolWeight> (20)
482.1930396

>  <Cat> (20)
S1036

>  <Name> (20)
PD0325901

>  <Synonyms> (20)
N/A

>  <Target> (20)
MEK 

>  <Form> (20)
Free Base

>  <CAS> (20)
391210-10-9

>  <URL> (20)
http://www.selleckchem.com/products/PD-0325901.html

$$$$
1.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C19H16N4O3

>  <MolWeight> (21)
348.35534

>  <Cat> (21)
S1038

>  <Name> (21)
PI-103

>  <Synonyms> (21)
N/A

>  <Target> (21)
DNA-PK, PI3K, mTOR

>  <Form> (21)
Free Base

>  <CAS> (21)
371935-74-9

>  <URL> (21)
http://www.selleckchem.com/products/PI-103.html

$$$$
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csChFnd80/09132414022D

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 41 35  1  0  0  0  0
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M  END
>  <Mol_ID> (22)
22

>  <Formula> (22)
C51H79NO13

>  <MolWeight> (22)
914.17186

>  <Cat> (22)
S1039

>  <Name> (22)
Rapamycin (Sirolimus)

>  <Synonyms> (22)
N/A 

>  <Target> (22)
mTOR 

>  <Form> (22)
Free Base

>  <CAS> (22)
53123-88-9

>  <URL> (22)
http://www.selleckchem.com/products/Rapamycin.html

$$$$

csChFnd80/09132414022D

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 33 34  2  0  0  0  0
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M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C28H24ClF3N4O6S

>  <MolWeight> (23)
637.0265696

>  <Cat> (23)
S1040

>  <Name> (23)
Sorafenib Tosylate

>  <Synonyms> (23)
Bay 43-9006 

>  <Target> (23)
VEGFR, PDGFR, Raf

>  <Form> (23)
Tosylate

>  <CAS> (23)
475207-59-1

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

$$$$

csChFnd80/09132414022D

 38 39  0  0  0  0  0  0  0  0999 V2000
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    2.8000   -7.8659    0.0000 F   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> (24)
24

>  <Formula> (24)
C26H33FN4O7

>  <MolWeight> (24)
532.5612232

>  <Cat> (24)
S1042

>  <Name> (24)
Sunitinib Malate

>  <Synonyms> (24)
N/A

>  <Target> (24)
VEGFR, PDGFR, c-Kit, Flt

>  <Form> (24)
Malate

>  <CAS> (24)
341031-54-7

>  <URL> (24)
http://www.selleckchem.com/products/Sunitinib-Malate-(Sutent).html

$$$$
untitled.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (25)
25

>  <Formula> (25)
C23H28N8OS

>  <MolWeight> (25)
464.58642

>  <Cat> (25)
S1048

>  <Name> (25)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (25)
N/A 

>  <Target> (25)
Aurora Kinase

>  <Form> (25)
Free Base

>  <CAS> (25)
639089-54-6

>  <URL> (25)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C14H23Cl2N3O

>  <MolWeight> (26)
320.25792

>  <Cat> (26)
S1049

>  <Name> (26)
Y-27632 2HCl

>  <Synonyms> (26)
N/A

>  <Target> (26)
ROCK

>  <Form> (26)
Dihydrochloride

>  <CAS> (26)
129830-38-2

>  <URL> (26)
http://www.selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (27)
27

>  <Formula> (27)
C32H29N5O2

>  <MolWeight> (27)
515.60496

>  <Cat> (27)
S1055

>  <Name> (27)
Enzastaurin (LY317615)

>  <Synonyms> (27)
N/A 

>  <Target> (27)
PKC 

>  <Form> (27)
Free Base

>  <CAS> (27)
170364-57-5

>  <URL> (27)
http://www.selleckchem.com/products/Enzastaurin.html

$$$$
untitled.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C28H30N6OS

>  <MolWeight> (28)
498.6424

>  <Cat> (28)
S1064

>  <Name> (28)
Masitinib (AB1010)

>  <Synonyms> (28)
N/A 

>  <Target> (28)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (28)
Free Base

>  <CAS> (28)
790299-79-5

>  <URL> (28)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

$$$$
untitled.cdx
csChFnd80/09132414022D

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301836-41-9

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http://www.selleckchem.com/products/SB-431542.html

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280744-09-4

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p38 MAPK 

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Free Base

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152121-47-6

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http://www.selleckchem.com/products/SB-203580.html

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SB202190 (FHPI)

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N/A

>  <Target> (35)
p38 MAPK 

>  <Form> (35)
Free Base

>  <CAS> (35)
152121-30-7

>  <URL> (35)
http://www.selleckchem.com/products/SB-202190.html

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>  <Target> (36)
Akt

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>  <CAS> (36)
1032350-13-2

>  <URL> (36)
http://www.selleckchem.com/products/MK-2206.html

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M  END
>  <Mol_ID> (37)
37

>  <Formula> (37)
C28H30ClN5O4S

>  <MolWeight> (37)
568.0869

>  <Cat> (37)
S1080

>  <Name> (37)
SU11274

>  <Synonyms> (37)
PKI-SU11274

>  <Target> (37)
c-Met 

>  <Form> (37)
Free Base

>  <CAS> (37)
658084-23-2

>  <URL> (37)
http://www.selleckchem.com/products/SU11274.html

$$$$
Brivanib.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (38)
38

>  <Formula> (38)
C19H19FN4O3

>  <MolWeight> (38)
370.3775632

>  <Cat> (38)
S1084

>  <Name> (38)
Brivanib (BMS-540215)

>  <Synonyms> (38)
N/A 

>  <Target> (38)
VEGFR, FGFR

>  <Form> (38)
Free Base

>  <CAS> (38)
649735-46-6

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

$$$$
NVP-ADW742.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C28H31N5O

>  <MolWeight> (39)
453.57864

>  <Cat> (39)
S1088

>  <Name> (39)
NVP-ADW742

>  <Synonyms> (39)
ADW742

>  <Target> (39)
IGF-1R

>  <Form> (39)
Free Base

>  <CAS> (39)
475488-23-4

>  <URL> (39)
http://www.selleckchem.com/products/NVP-ADW742.html

$$$$
untitled.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C21H17NO3S2

>  <MolWeight> (40)
395.49458

>  <Cat> (40)
S1092

>  <Name> (40)
KU-55933 (ATM Kinase Inhibitor)

>  <Synonyms> (40)
N/A

>  <Target> (40)
ATM 

>  <Form> (40)
Free Base

>  <CAS> (40)
587871-26-9

>  <URL> (40)
http://www.selleckchem.com/products/KU-55933.html

$$$$
untitled.cdx
csChFnd80/09132414022D

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IGF-1R

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Free Base

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1089283-49-7

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http://www.selleckchem.com/products/GSK1904529A.html

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N/A

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c-Met 

>  <Form> (42)
Free Base

>  <CAS> (42)
956905-27-4

>  <URL> (42)
http://www.selleckchem.com/products/PF-04217903.html

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>  <Mol_ID> (43)
43

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C25H15ClF2N4O2

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>  <Cat> (43)
S1100

>  <Name> (43)
MLN8054

>  <Synonyms> (43)
N/A

>  <Target> (43)
Aurora Kinase

>  <Form> (43)
Free Base

>  <CAS> (43)
869363-13-3

>  <URL> (43)
http://www.selleckchem.com/products/MLN8054.html

$$$$
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>  <Mol_ID> (44)
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C20H17Cl3N4

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>  <Name> (44)
Vatalanib (PTK787) 2HCl

>  <Synonyms> (44)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (44)
VEGFR, c-Kit, Flt

>  <Form> (44)
Dihydrochloride

>  <CAS> (44)
212141-51-0

>  <URL> (44)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

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>  <Mol_ID> (49)
49

>  <Formula> (49)
C20H22N6OS2

>  <MolWeight> (49)
426.55828

>  <Cat> (49)
S1102

>  <Name> (49)
U0126-EtOH

>  <Synonyms> (49)
N/A

>  <Target> (49)
MEK

>  <Form> (49)
Ethanolate

>  <CAS> (49)
1173097-76-1

>  <URL> (49)
http://www.selleckchem.com/products/U0126.html

$$$$
untitled.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (50)
50

>  <Formula> (50)
C26H30N6O3

>  <MolWeight> (50)
474.5548

>  <Cat> (50)
S1107

>  <Name> (50)
Danusertib (PHA-739358)

>  <Synonyms> (50)
N/A 

>  <Target> (50)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (50)
Free Base

>  <CAS> (50)
827318-97-8

>  <URL> (50)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
untitled.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (51)
51

>  <Formula> (51)
C28H39N7O3

>  <MolWeight> (51)
521.65436

>  <Cat> (51)
S1109

>  <Name> (51)
BI 2536

>  <Synonyms> (51)
N/A

>  <Target> (51)
PLK

>  <Form> (51)
Free Base

>  <CAS> (51)
755038-02-9

>  <URL> (51)
http://www.selleckchem.com/products/BI-2536.html

$$$$
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c-Met, VEGFR

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849217-64-7

>  <URL> (52)
http://www.selleckchem.com/products/XL880(GSK1363089,EXEL-2880).html

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>  <Formula> (53)
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>  <MolWeight> (53)
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>  <Cat> (53)
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>  <Name> (53)
JNJ-38877605

>  <Synonyms> (53)
N/A

>  <Target> (53)
c-Met 

>  <Form> (53)
Free Base

>  <CAS> (53)
943540-75-8

>  <URL> (53)
http://www.selleckchem.com/products/JNJ-38877605.html

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csChFnd80/09132414022D

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>  <Synonyms> (54)
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>  <Target> (54)
mTOR

>  <Form> (54)
Free Base

>  <CAS> (54)
159351-69-6

>  <URL> (54)
http://www.selleckchem.com/products/Everolimus(RAD001).html

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

>  <Formula> (55)
C27H20ClFN4O4

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S1133

>  <Name> (55)
MLN8237 (Alisertib)

>  <Synonyms> (55)
Alisertib

>  <Target> (55)
Aurora Kinase

>  <Form> (55)
Free Base

>  <CAS> (55)
1028486-01-2

>  <URL> (55)
http://www.selleckchem.com/products/MLN8237.html

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>  <Mol_ID> (56)
56

>  <Formula> (56)
C28H24FN3O5

>  <MolWeight> (56)
501.5056632

>  <Cat> (56)
S1119

>  <Name> (56)
Cabozantinib (XL184, BMS-907351)

>  <Synonyms> (56)
N/A

>  <Target> (56)
VEGFR, c-Met, Flt, Tie-2, c-Kit

>  <Form> (56)
Free Base

>  <CAS> (56)
849217-68-1

>  <URL> (56)
http://www.selleckchem.com/products/XL184.html

$$$$
AT9283.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (57)
57

>  <Formula> (57)
C19H23N7O2

>  <MolWeight> (57)
381.43162

>  <Cat> (57)
S1134

>  <Name> (57)
AT9283

>  <Synonyms> (57)
N/A

>  <Target> (57)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (57)
Free Base

>  <CAS> (57)
896466-04-9

>  <URL> (57)
http://www.selleckchem.com/products/AT9283.html

$$$$
untitled.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (58)
58

>  <Formula> (58)
C31H43N3O8

>  <MolWeight> (58)
585.68842

>  <Cat> (58)
S1141

>  <Name> (58)
17-AAG (Tanespimycin)

>  <Synonyms> (58)
N/A 

>  <Target> (58)
HSP

>  <Form> (58)
Free Base

>  <CAS> (58)
75747-14-7

>  <URL> (58)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

$$$$

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M  END
>  <Mol_ID> (59)
59

>  <Formula> (59)
C22H24FN5O4

>  <MolWeight> (59)
441.4554632

>  <Cat> (59)
S1138

>  <Name> (59)
Brivanib alaninate (BMS-582664)

>  <Synonyms> (59)
N/A 

>  <Target> (59)
VEGFR, FGFR

>  <Form> (59)
Alaninate

>  <CAS> (59)
649735-63-7

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

$$$$
AG-490.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (60)
60

>  <Formula> (60)
C17H14N2O3

>  <MolWeight> (60)
294.30466

>  <Cat> (60)
S1143

>  <Name> (60)
AG-490 (Tyrphostin B42)

>  <Synonyms> (60)
N/A

>  <Target> (60)
JAK, EGFR

>  <Form> (60)
Free Base

>  <CAS> (60)
133550-30-8 

>  <URL> (60)
http://www.selleckchem.com/products/AG-490.html

$$$$
untitled.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (61)
61

>  <Formula> (61)
C17H24N4O2S2

>  <MolWeight> (61)
380.52806

>  <Cat> (61)
S1145

>  <Name> (61)
SNS-032 (BMS-387032)

>  <Synonyms> (61)
BMS-387032

>  <Target> (61)
CDK 

>  <Form> (61)
Free Base

>  <CAS> (61)
345627-80-7

>  <URL> (61)
http://www.selleckchem.com/products/SNS-032.html

$$$$
untitled.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (62)
62

>  <Formula> (62)
C26H30FN7O3

>  <MolWeight> (62)
507.5599032

>  <Cat> (62)
S1147

>  <Name> (62)
Barasertib (AZD1152-HQPA)

>  <Synonyms> (62)
AZD1152 

>  <Target> (62)
Aurora Kinase

>  <Form> (62)
Free Base

>  <CAS> (62)
722544-51-6

>  <URL> (62)
http://www.selleckchem.com/products/AZD1152-HQPA.html

$$$$
untitled.cdx
csChFnd80/09132414022D

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918505-84-7

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CDK 

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186692-46-6 

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537705-08-1

>  <URL> (65)
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1214265-56-1

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693228-63-6

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EGFR

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1213269-23-8

>  <URL> (69)
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   12.1075    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5282    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
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 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  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
M  END
>  <Mol_ID> (72)
72

>  <Formula> (72)
C24H25ClN6OS

>  <MolWeight> (72)
481.0129

>  <Cat> (72)
S1179

>  <Name> (72)
WZ8040

>  <Synonyms> (72)
N/A

>  <Target> (72)
EGFR

>  <Form> (72)
Free Base

>  <CAS> (72)
1214265-57-2

>  <URL> (72)
http://www.selleckchem.com/products/WZ8040.html

$$$$
ENMD-2076.cdx
csChFnd80/09132414022D

 28 31  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
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (73)
73

>  <Formula> (73)
C21H25N7

>  <MolWeight> (73)
375.4701

>  <Cat> (73)
S1181

>  <Name> (73)
ENMD-2076

>  <Synonyms> (73)
N/A 

>  <Target> (73)
Flt, Aurora Kinase, VEGFR

>  <Form> (73)
Tartaric Acid 

>  <CAS> (73)
934353-76-1

>  <URL> (73)
http://www.selleckchem.com/products/ENMD-2076.html

$$$$
Aprepitant.cdx
csChFnd80/09132414022D

 37 40  0  0  0  0  0  0  0  0999 V2000
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    9.6995    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (74)
74

>  <Formula> (74)
C23H21F7N4O3

>  <MolWeight> (74)
534.4266624

>  <Cat> (74)
S1189

>  <Name> (74)
Aprepitant (MK-0869)

>  <Synonyms> (74)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (74)
Substance P

>  <Form> (74)
Free Base

>  <CAS> (74)
170729-80-3

>  <URL> (74)
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> (75)
75

>  <Formula> (75)
C24H26N4O4

>  <MolWeight> (75)
434.48764

>  <Cat> (75)
S1194

>  <Name> (75)
CUDC-101

>  <Synonyms> (75)
N/A

>  <Target> (75)
HDAC, EGFR, HER2

>  <Form> (75)
Free Base

>  <CAS> (75)
1012054-59-9

>  <URL> (75)
http://www.selleckchem.com/products/CUDC-101.html

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

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>  <Mol_ID> (76)
76

>  <Formula> (76)
C22H19ClN4O5

>  <MolWeight> (76)
454.86306

>  <Cat> (76)
S1207

>  <Name> (76)
Tivozanib (AV-951)

>  <Synonyms> (76)
N/A 

>  <Target> (76)
VEGFR, c-Kit, PDGFR

>  <Form> (76)
Free Base

>  <CAS> (76)
475108-18-0

>  <URL> (76)
http://www.selleckchem.com/products/AV-951.html

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

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M  END
>  <Mol_ID> (77)
77

>  <Formula> (77)
C27H30ClNO11

>  <MolWeight> (77)
579.9802

>  <Cat> (77)
S1208

>  <Name> (77)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (77)
N/A 

>  <Target> (77)
Topoisomerase

>  <Form> (77)
Hydrochloride

>  <CAS> (77)
25316-40-9

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

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

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>  <Mol_ID> (78)
78

>  <Formula> (78)
C22H16F3N3O2S

>  <MolWeight> (78)
443.4415496

>  <Cat> (78)
S1220

>  <Name> (78)
OSI-930

>  <Synonyms> (78)
N/A

>  <Target> (78)
c-Kit, VEGFR

>  <Form> (78)
Free Base

>  <CAS> (78)
728033-96-3

>  <URL> (78)
http://www.selleckchem.com/products/OSI-930.html

$$$$
KU-0063794.cdx
csChFnd80/09132414022D

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mTOR 

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938440-64-3

>  <URL> (79)
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> (80)
http://www.selleckchem.com/products/MP-470.html

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Leflunomide

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Arava

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Dehydrogenase

>  <Form> (81)
Free Base

>  <CAS> (81)
75706-12-6

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

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JNJ-7706621

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CDK, Aurora Kinase

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443797-96-4

>  <URL> (82)
http://www.selleckchem.com/products/JNJ-7706621.html

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mTOR 

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EGFR

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>  <Mol_ID> (88)
88

>  <Formula> (88)
C26H20FN5O2S2

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S1361

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MGCD-265

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N/A

>  <Target> (88)
c-Met, VEGFR, Tie-2 

>  <Form> (88)
Free Base

>  <CAS> (88)
875337-44-3

>  <URL> (88)
http://www.selleckchem.com/products/MGCD-265.html

$$$$
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csChFnd80/09132414022D

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>  <Mol_ID> (89)
89

>  <Formula> (89)
C21H24NNaO8S

>  <MolWeight> (89)
473.47193

>  <Cat> (89)
S1362

>  <Name> (89)
Rigosertib (ON-01910)

>  <Synonyms> (89)
ON-01910

>  <Target> (89)
PLK

>  <Form> (89)
Sodium Salt

>  <CAS> (89)
1225497-78-8

>  <URL> (89)
http://www.selleckchem.com/products/ON-01910.html

$$$$
KI8751.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (90)
90

>  <Formula> (90)
C24H18F3N3O4

>  <MolWeight> (90)
469.4126296

>  <Cat> (90)
S1363

>  <Name> (90)
Ki8751

>  <Synonyms> (90)
N/A

>  <Target> (90)
VEGFR, c-Kit, PDGFR

>  <Form> (90)
Free Base

>  <CAS> (90)
228559-41-9

>  <URL> (90)
http://www.selleckchem.com/products/Ki8751.html

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (91)
91

>  <Formula> (91)
C22H19Cl3N8

>  <MolWeight> (91)
501.79886

>  <Cat> (91)
S2924

>  <Name> (91)
CHIR-99021 (CT99021) HCl

>  <Synonyms> (91)
N/A

>  <Target> (91)
PI3K/Akt/mTOR

>  <Form> (91)
Hydrochloride

>  <CAS> (91)
252917-06-9 (free base)

>  <URL> (91)
http://www.selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$
Pelitinib.cdx
csChFnd80/09132414022D

 33 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (92)
92

>  <Formula> (92)
C24H23ClFN5O2

>  <MolWeight> (92)
467.9231232

>  <Cat> (92)
S1392

>  <Name> (92)
Pelitinib (EKB-569)

>  <Synonyms> (92)
WAY-EKB 569

>  <Target> (92)
EGFR

>  <Form> (92)
Free Base

>  <CAS> (92)
257933-82-7

>  <URL> (92)
http://www.selleckchem.com/products/Pelitinib.html

$$$$
resveratrol.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (93)
93

>  <Formula> (93)
C14H12O3

>  <MolWeight> (93)
228.24328

>  <Cat> (93)
S1396

>  <Name> (93)
Resveratrol

>  <Synonyms> (93)
N/A

>  <Target> (93)
Sirtuin

>  <Form> (93)
Free Base

>  <CAS> (93)
501-36-0

>  <URL> (93)
http://www.selleckchem.com/products/Resveratrol.html

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

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>  <Mol_ID> (94)
94

>  <Formula> (94)
C31H31ClFN7O2

>  <MolWeight> (94)
588.0749432

>  <Cat> (94)
S1451

>  <Name> (94)
Aurora A Inhibitor I

>  <Synonyms> (94)
N/A

>  <Target> (94)
Aurora Kinase

>  <Form> (94)
Free Base

>  <CAS> (94)
1158838-45-9

>  <URL> (94)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

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

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>  <Mol_ID> (95)
95

>  <Formula> (95)
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VEGFR, PDGFR , FGFR 

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252916-29-3

>  <URL> (98)
http://www.selleckchem.com/products/TSU-68(SU6668).html

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PLK 

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173529-46-9 

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

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PI3K, VEGFR

>  <Form> (105)
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593960-11-3

>  <URL> (105)
http://www.selleckchem.com/products/PIK-93.html

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N/A 

>  <Target> (106)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (106)
Free Base

>  <CAS> (106)
943319-70-8

>  <URL> (106)
http://www.selleckchem.com/products/AP24534.html

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csChFnd80/09132414022D

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107

>  <Formula> (107)
C24H22O6

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406.42788

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S2238

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Palomid 529

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P529

>  <Target> (107)
mTOR

>  <Form> (107)
Free Base

>  <CAS> (107)
914913-88-5

>  <URL> (107)
http://www.selleckchem.com/products/Palomid-529-P529.html

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csChFnd80/09132414022D

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>  <Target> (108)
PI3K, mTOR

>  <Form> (108)
Free Base

>  <CAS> (108)
1349796-36-6

>  <URL> (108)
http://www.selleckchem.com/products/XL765(SAR245409).html#

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>  <Target> (109)
CDK 

>  <Form> (109)
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>  <CAS> (109)
844442-38-2

>  <URL> (109)
http://www.selleckchem.com/products/AT7519.html

$$$$
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>  <Mol_ID> (110)
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>  <MolWeight> (110)
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>  <Cat> (110)
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>  <Synonyms> (110)
N/A 

>  <Target> (110)
Wee1

>  <Form> (110)
Free Base

>  <CAS> (110)
955365-80-7

>  <URL> (110)
http://www.selleckchem.com/products/MK-1775.html

$$$$
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>  <Mol_ID> (111)
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>  <Formula> (111)
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>  <MolWeight> (111)
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>  <Cat> (111)
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>  <Synonyms> (111)
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>  <Target> (111)
Flt

>  <Form> (111)
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>  <CAS> (111)
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>  <URL> (111)
http://www.selleckchem.com/products/AC-220.html

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Syk 

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Free Base

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841290-80-0

>  <URL> (116)
http://www.selleckchem.com/products/R406(free-base).html

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117

>  <Formula> (117)
C25H31N5O4

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AZD8055

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N/A 

>  <Target> (117)
mTOR

>  <Form> (117)
Free Base

>  <CAS> (117)
1009298-09-2

>  <URL> (117)
http://www.selleckchem.com/products/AZD8055.html

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>  <Mol_ID> (118)
118

>  <Formula> (118)
C20H31N3O2S2

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S1556

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PHT-427

>  <Synonyms> (118)
N/A 

>  <Target> (118)
Akt, PDK-1

>  <Form> (118)
Free Base

>  <CAS> (118)
1191951-57-1

>  <URL> (118)
http://www.selleckchem.com/products/PHT-427.html

$$$$
KRN633.cdx
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>  <Mol_ID> (119)
119

>  <Formula> (119)
C20H21ClN4O4

>  <MolWeight> (119)
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KRN 633

>  <Synonyms> (119)
N/A 

>  <Target> (119)
VEGFR, PDGFR

>  <Form> (119)
Free Base

>  <CAS> (119)
286370-15-8

>  <URL> (119)
http://www.selleckchem.com/products/KRN-633.html

$$$$
AT7867.cdx
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C20H20ClN3

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AT7867

>  <Synonyms> (120)
N/A

>  <Target> (120)
Akt, S6 kinase

>  <Form> (120)
Free Base

>  <CAS> (120)
857531-00-1

>  <URL> (120)
http://www.selleckchem.com/products/AT7867.html

$$$$
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c-Met

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Free Base

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1025720-94-8

>  <URL> (121)
http://www.selleckchem.com/products/BMS-777607.html

$$$$
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csChFnd80/09132414022D

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>  <Mol_ID> (122)
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PD318088

>  <Synonyms> (122)
N/A

>  <Target> (122)
MEK 

>  <Form> (122)
Free Base

>  <CAS> (122)
391210-00-7 

>  <URL> (122)
http://www.selleckchem.com/products/PD318088.html

$$$$
KU-60019.cdx
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>  <Mol_ID> (123)
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ATM 

>  <Form> (123)
Free Base

>  <CAS> (123)
925701-49-1

>  <URL> (123)
http://www.selleckchem.com/products/KU-60019.html

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

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>  <Mol_ID> (124)
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>  <Formula> (124)
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BS-181 HCl

>  <Synonyms> (124)
N/A

>  <Target> (124)
CDK 

>  <Form> (124)
Hydrochloride

>  <CAS> (124)
1397219-81-6

>  <URL> (124)
http://www.selleckchem.com/products/BS-181.html

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

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C14H18ClN3O2S

>  <MolWeight> (125)
327.82962

>  <Cat> (125)
S1573

>  <Name> (125)
Fasudil HCl (HA-1077)

>  <Synonyms> (125)
AT-877 

>  <Target> (125)
ROCK

>  <Form> (125)
Hydrochloride

>  <CAS> (125)
105628-07-7

>  <URL> (125)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

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

 39 43  0  0  0  0  0  0  0  0999 V2000
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 14 34  1  0  0  0  0
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M  END
>  <Mol_ID> (126)
126

>  <Formula> (126)
C31H37N5O3

>  <MolWeight> (126)
527.65718

>  <Cat> (126)
S1574

>  <Name> (126)
BIRB 796 (Doramapimod)

>  <Synonyms> (126)
N/A

>  <Target> (126)
p38 MAPK

>  <Form> (126)
Free Base

>  <CAS> (126)
285983-48-4

>  <URL> (126)
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
    7.2704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C26H21N3O2S

>  <MolWeight> (127)
439.52884

>  <Cat> (127)
S1577

>  <Name> (127)
Tie2 kinase inhibitor

>  <Synonyms> (127)
N/A

>  <Target> (127)
Tie-2

>  <Form> (127)
Free Base

>  <CAS> (127)
948557-43-5

>  <URL> (127)
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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 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (128)
128

>  <Formula> (128)
C27H30Cl2F2N6O

>  <MolWeight> (128)
563.4695064

>  <Cat> (128)
S2686

>  <Name> (128)
NVP-BSK805 2HCl

>  <Synonyms> (128)
N/A

>  <Target> (128)
JAK

>  <Form> (128)
HCl

>  <CAS> (128)
1092499-93-8 (free base)

>  <URL> (128)
http://www.selleckchem.com/products/nvp-bsk805.html

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

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2040    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5325    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7693    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3999    4.1899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3368    5.7555    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.5167    6.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3852    5.9938    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  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 18  1  0  0  0  0
 18 14  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (129)
130

>  <Formula> (129)
C12H9N3O5S

>  <MolWeight> (129)
307.28196

>  <Cat> (129)
S1627

>  <Name> (129)
Nitazoxanide (Alinia, Annita)

>  <Synonyms> (129)
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazox, Toza

>  <Target> (129)
Others

>  <Form> (129)
Free Base

>  <CAS> (129)
55981-09-4

>  <URL> (129)
http://www.selleckchem.com/products/Nitazoxanide(Alinia).html

$$$$
Artemisinin.cdx
csChFnd80/09132414022D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.3912    4.5588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0912    3.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4756    3.1377    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5019    4.0900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3973    5.4860    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2405    6.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9027    5.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7632    3.4825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9200    4.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8153    5.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5540    6.2747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3973    6.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4497    7.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    1.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1249    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1512    2.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9757    2.7825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3636    1.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4354    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6037    5.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9560    4.8965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4857    2.1478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
  5 12  1  6  0  0  0
 11 13  1  6  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  8  1  0  0  0  0
  8 17  1  6  0  0  0
 16 18  1  1  0  0  0
 15 19  2  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  6  0  0  0
 21 22  1  0  0  0  0
  4 22  1  6  0  0  0
  3 23  1  1  0  0  0
M  END
>  <Mol_ID> (130)
131

>  <Formula> (130)
C15H22O5

>  <MolWeight> (130)
282.33218

>  <Cat> (130)
S1282

>  <Name> (130)
Artemisinin

>  <Synonyms> (130)
Qinghaosu

>  <Target> (130)
Antifection

>  <Form> (130)
Free Base

>  <CAS> (130)
63968-64-9

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

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

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (131)
132

>  <Formula> (131)
C7H7NO3

>  <MolWeight> (131)
153.13538

>  <Cat> (131)
S1681

>  <Name> (131)
Mesalamine (Lialda)

>  <Synonyms> (131)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (131)
I¦ÊB/IKK

>  <Form> (131)
Free Base

>  <CAS> (131)
89-57-6

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

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

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.3036    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    2.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    4.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    2.7704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1945    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    0.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    2.0728    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    4.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6789    4.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    2.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4707    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    4.7398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    3.6994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    2.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244    2.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9017    6.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421    7.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    8.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195    8.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791    7.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    6.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6914    9.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003   10.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   10.2127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  2  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
 34 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 35  1  0  0  0  0
M  END
>  <Mol_ID> (132)
133

>  <Formula> (132)
C30H28FN7O3

>  <MolWeight> (132)
553.5868232

>  <Cat> (132)
S2634

>  <Name> (132)
DCC-2036 (Rebastinib)

>  <Synonyms> (132)
N/A 

>  <Target> (132)
Bcr-Abl

>  <Form> (132)
Free Base

>  <CAS> (132)
1020172-07-9

>  <URL> (132)
http://www.selleckchem.com/products/dcc-2036.html

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

 63 68  0  0  0  0  0  0  0  0999 V2000
   12.5069    5.8382    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.1925   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    9.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    9.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363    8.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9151    7.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150    8.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   13.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   16.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   17.8076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363   12.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150   12.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2938   11.1190    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3939   10.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6725   10.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5724   11.9483    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0935   13.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9934   14.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5146   15.6518    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.3721   14.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (133)
134

>  <Formula> (133)
C50H46CaF2N2O8

>  <MolWeight> (133)
880.9836464

>  <Cat> (133)
S1759

>  <Name> (133)
Pitavastatin calcium (Livalo)

>  <Synonyms> (133)
Livalo

>  <Target> (133)
HMG-CoA Reductase

>  <Form> (133)
Calcium salt

>  <CAS> (133)
147526-32-7

>  <URL> (133)
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
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 11  9  1  6  0  0  0
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M  END
>  <Mol_ID> (134)
135

>  <Formula> (134)
C10H13N5O4

>  <MolWeight> (134)
267.24132

>  <Cat> (134)
S1784

>  <Name> (134)
Vidarabine (Vira-A)

>  <Synonyms> (134)
Vira-A

>  <Target> (134)
5-alpha Reductase 

>  <Form> (134)
Free Base

>  <CAS> (134)
5536-17-4

>  <URL> (134)
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
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 10  6  1  0  0  0  0
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M  END
>  <Mol_ID> (135)
136

>  <Formula> (135)
C8H11N5O3

>  <MolWeight> (135)
225.20464

>  <Cat> (135)
S1807

>  <Name> (135)
Acyclovir (Aciclovir)

>  <Synonyms> (135)
Aciclovir, Acycloguanosine, Zovirax 

>  <Target> (135)
Antifection

>  <Form> (135)
Free Base

>  <CAS> (135)
59277-89-3 

>  <URL> (135)
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
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 10 11  1  0  0  0  0
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 12  7  1  0  0  0  0
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 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (136)
137

>  <Formula> (136)
C17H18N2O6

>  <MolWeight> (136)
346.33462

>  <Cat> (136)
S1808

>  <Name> (136)
Nifedipine (Adalat)

>  <Synonyms> (136)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (136)
Calcium Channel

>  <Form> (136)
Free Base

>  <CAS> (136)
21829-25-4

>  <URL> (136)
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
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    0.0000    2.8073    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 11 14  2  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (137)
138

>  <Formula> (137)
C6H9Cl2N7O

>  <MolWeight> (137)
266.08796

>  <Cat> (137)
S1811

>  <Name> (137)
Amiloride HCl

>  <Synonyms> (137)
N/A

>  <Target> (137)
Sodium Channel,Calcium Channel

>  <Form> (137)
Hydrochloride

>  <CAS> (137)
2016-88-8

>  <URL> (137)
http://www.selleckchem.com/products/Amiloride-hydrochloride(Midamor).html

$$$$
Baricitinib.cdx
csChFnd80/09132414022D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.7433    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    1.1347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1433    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5433    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
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  3  6  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
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 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  3  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
>  <Mol_ID> (138)
139

>  <Formula> (138)
C16H17N7O2S

>  <MolWeight> (138)
371.41688

>  <Cat> (138)
S2851

>  <Name> (138)
Baricitinib (LY3009104)

>  <Synonyms> (138)
INCB 28050

>  <Target> (138)
JAK

>  <Form> (138)
Free Base

>  <CAS> (138)
1187594-09-7

>  <URL> (138)
http://www.selleckchem.com/products/baricitinib-ly3009104.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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    0.3547    6.7849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7754    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.5672    8.8800    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
  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
 13 14  1  0  0  0  0
 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
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 13 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 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> (139)
140

>  <Formula> (139)
C25H30ClNO5

>  <MolWeight> (139)
459.9624

>  <Cat> (139)
S1847

>  <Name> (139)
Clemastine Fumarate

>  <Synonyms> (139)
Tavist, Agasten 

>  <Target> (139)
Histamine Receptor

>  <Form> (139)
Fumarate

>  <CAS> (139)
14976-57-9

>  <URL> (139)
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> (140)
141

>  <Formula> (140)
C5H6N2OS

>  <MolWeight> (140)
142.17894

>  <Cat> (140)
S3138

>  <Name> (140)
Methylthiouracil

>  <Synonyms> (140)
N/A

>  <Target> (140)
Others

>  <Form> (140)
Free Base

>  <CAS> (140)
20547

>  <URL> (140)
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> (141)
142

>  <Formula> (141)
C11H8O2

>  <MolWeight> (141)
172.18002

>  <Cat> (141)
S1949

>  <Name> (141)
Menadione

>  <Synonyms> (141)
Vitamin K3

>  <Target> (141)
DNA/RNA Synthesis,phosphatase

>  <Form> (141)
Free Base

>  <CAS> (141)
58-27-5

>  <URL> (141)
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> (142)
143

>  <Formula> (142)
C4H12ClN5

>  <MolWeight> (142)
165.62458

>  <Cat> (142)
S1950

>  <Name> (142)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (142)
Glucophage, Riomet, Diabex

>  <Target> (142)
Others

>  <Form> (142)
Hydrochloride

>  <CAS> (142)
1115-70-4

>  <URL> (142)
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
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    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> (143)
144

>  <Formula> (143)
C19H18O3

>  <MolWeight> (143)
294.34442

>  <Cat> (143)
S2365

>  <Name> (143)
Tanshinone IIA (Tanshinone B)

>  <Synonyms> (143)
Tanshinone B, Tanshinone II

>  <Target> (143)
Lipase

>  <Form> (143)
Free Base

>  <CAS> (143)
568-72-9

>  <URL> (143)
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
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M  END
>  <Mol_ID> (144)
145

>  <Formula> (144)
C16H12O5

>  <MolWeight> (144)
284.26348

>  <Cat> (144)
S2377

>  <Name> (144)
Biochanin A (4-Methylgenistein)

>  <Synonyms> (144)
4-Methylgenistein

>  <Target> (144)
FAAH

>  <Form> (144)
Free Base

>  <CAS> (144)
491-80-5

>  <URL> (144)
http://www.selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

$$$$
Diosmetin.cdx
csChFnd80/09132414022D

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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (145)
146

>  <Formula> (145)
C16H12O6

>  <MolWeight> (145)
300.26288

>  <Cat> (145)
S2380

>  <Name> (145)
Diosmetin (Luteolin 4-methyl ether)

>  <Synonyms> (145)
Luteolin 4-methyl ether

>  <Target> (145)
P450 (e.g. CYP17)

>  <Form> (145)
Free Base

>  <CAS> (145)
520-34-3

>  <URL> (145)
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
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M  END
>  <Mol_ID> (146)
147

>  <Formula> (146)
C16H10N2O2

>  <MolWeight> (146)
262.2628

>  <Cat> (146)
S2386

>  <Name> (146)
Indirubin

>  <Synonyms> (146)
N/A

>  <Target> (146)
GSK-3

>  <Form> (146)
Free Base

>  <CAS> (146)
479-41-4 

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

$$$$
AMG 458.cdx
csChFnd80/09132414022D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (147)
148

>  <Formula> (147)
C30H29N5O5

>  <MolWeight> (147)
539.58176

>  <Cat> (147)
S2747

>  <Name> (147)
AMG458

>  <Synonyms> (147)
N/A

>  <Target> (147)
c-Met

>  <Form> (147)
Free Base

>  <CAS> (147)
913376-83-7 

>  <URL> (147)
http://www.selleckchem.com/products/amg458.html

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

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M  END
>  <Mol_ID> (152)
153

>  <Formula> (152)
C25H23N5O2

>  <MolWeight> (152)
425.48242

>  <Cat> (152)
S2750

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GW788388

>  <Synonyms> (152)
N/A

>  <Target> (152)
TGF-beta/Smad

>  <Form> (152)
Free Base

>  <CAS> (152)
452342-67-5

>  <URL> (152)
http://www.selleckchem.com/products/gw788388.html

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

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>  <Mol_ID> (153)
154

>  <Formula> (153)
C29H26ClFN4O4S

>  <MolWeight> (153)
581.0575432

>  <Cat> (153)
S2111

>  <Name> (153)
Lapatinib

>  <Synonyms> (153)
N/A

>  <Target> (153)
EGFR, HER2

>  <Form> (153)
Free Base

>  <CAS> (153)
231277-92-2

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

$$$$
NVP-BGT226.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (154)
155

>  <Formula> (154)
C32H29F3N6O6

>  <MolWeight> (154)
650.6044696

>  <Cat> (154)
S2749

>  <Name> (154)
NVP-BGT226

>  <Synonyms> (154)
N/A 

>  <Target> (154)
PI3K, mTOR

>  <Form> (154)
Maleate

>  <CAS> (154)
1245537-68-1

>  <URL> (154)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (160)
162

>  <Formula> (160)
C20H16N6

>  <MolWeight> (160)
340.38124

>  <Cat> (160)
S2761

>  <Name> (160)
NVP-BVU972

>  <Synonyms> (160)
N/A

>  <Target> (160)
c-Met

>  <Form> (160)
Free Base

>  <CAS> (160)
1185763-69-2

>  <URL> (160)
http://www.selleckchem.com/products/nvp-bvu972.html

$$$$
CUDC-907.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (161)
163

>  <Formula> (161)
C23H24N8O4S

>  <MolWeight> (161)
508.55286

>  <Cat> (161)
S2759

>  <Name> (161)
CUDC-907

>  <Synonyms> (161)
N/A

>  <Target> (161)
HDAC, PI3K

>  <Form> (161)
Free Base

>  <CAS> (161)
1339928-25-4

>  <URL> (161)
http://www.selleckchem.com/products/cudc-907.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (162)
164

>  <Formula> (162)
C27H33FN6O7

>  <MolWeight> (162)
572.5853232

>  <Cat> (162)
S2769

>  <Name> (162)
Dovitinib Dilactic acid (TKI258 Dilactic aci

>  <Synonyms> (162)
CHIR-258 Dilactic acid 

>  <Target> (162)
Flt, FGFR, PDGFR, VEGFR, c-Kit

>  <Form> (162)
Dilactic Acid 

>  <CAS> (162)
852433-84-2

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

$$$$
AST-1306.cdx
csChFnd80/09132414022D

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582315-72-8

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

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TGF-beta/Smad 

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Free Base

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694433-59-5

>  <URL> (165)
http://www.selleckchem.com/products/sb-505124.html

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917879-39-1

>  <URL> (166)
http://www.selleckchem.com/products/mk-2461.html

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>  <URL> (167)
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mTOR

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1009298-59-2

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http://www.selleckchem.com/products/azd2014.html

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EGFR, HER2

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Free Base

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871026-44-7

>  <URL> (169)
http://www.selleckchem.com/products/tak-285.html

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Tasocitinib 

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JAK

>  <Form> (170)
Free Base

>  <CAS> (170)
477600-75-2

>  <URL> (170)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

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Others

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10083-24-6

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

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Free Base

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425637-18-9

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http://www.selleckchem.com/products/sotrastaurin-aeb071.html

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>  <Target> (174)
Transferase

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Free Base

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193275-84-2

>  <URL> (174)
http://www.selleckchem.com/products/lonafarnib-sch66336.html

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FGFR

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1035270-39-3

>  <URL> (175)
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1001264-89-6

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1195765-45-7

>  <URL> (177)
http://www.selleckchem.com/products/dabrafenib-gsk2118436a.html

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148741-30-4

>  <URL> (178)
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1223001-51-1

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>  <Mol_ID> (180)
182

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Alpelisib (BYL719)

>  <Synonyms> (180)
N/A 

>  <Target> (180)
PI3K

>  <Form> (180)
Free Base

>  <CAS> (180)
1217486-61-7

>  <URL> (180)
http://www.selleckchem.com/products/byl719.html

$$$$
CEP33779.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (181)
183

>  <Formula> (181)
C24H26N6O2S

>  <MolWeight> (181)
462.56724

>  <Cat> (181)
S2806

>  <Name> (181)
CEP33779

>  <Synonyms> (181)
N/A

>  <Target> (181)
JAK

>  <Form> (181)
Free Base

>  <CAS> (181)
1257704-57-6

>  <URL> (181)
http://www.selleckchem.com/products/cep33779.html

$$$$
NVP-TAE226.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (182)
184

>  <Formula> (182)
C23H25ClN6O3

>  <MolWeight> (182)
468.936

>  <Cat> (182)
S2820

>  <Name> (182)
NVP-TAE226

>  <Synonyms> (182)
N/A 

>  <Target> (182)
FAK

>  <Form> (182)
Free Base

>  <CAS> (182)
761437-28-9

>  <URL> (182)
http://www.selleckchem.com/products/nvp-tae226.html

$$$$
Quercetin.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (183)
185

>  <Formula> (183)
C15H10O7

>  <MolWeight> (183)
302.2357

>  <Cat> (183)
S2391

>  <Name> (183)
Quercetin (Sophoretin)

>  <Synonyms> (183)
Meletin, Quercetine

>  <Target> (183)
PI3K, PKC, Src, Sirtuin

>  <Form> (183)
Free Base

>  <CAS> (183)
117-39-5

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

$$$$
Salidroside.cdx
csChFnd80/09132414022D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (184)
186

>  <Formula> (184)
C14H20O7

>  <MolWeight> (184)
300.3044

>  <Cat> (184)
S2396

>  <Name> (184)
Salidroside (Rhodioloside)

>  <Synonyms> (184)
Rhodioloside

>  <Target> (184)
Others

>  <Form> (184)
Free Base

>  <CAS> (184)
10338-51-9

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

$$$$
E7080.cdx
csChFnd80/09132414022D

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VEGFR

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Free Base

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417716-92-8

>  <URL> (185)
http://www.selleckchem.com/products/E7080.html

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>  <Synonyms> (186)
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>  <Target> (186)
MEK

>  <Form> (186)
Free Base

>  <CAS> (186)
869357-68-6

>  <URL> (186)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

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189

>  <Formula> (187)
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>  <Synonyms> (187)
N/A

>  <Target> (187)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (187)
Free Base

>  <CAS> (187)
1000669-72-6

>  <URL> (187)
http://www.selleckchem.com/products/KW-2449.html

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>  <Formula> (188)
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>  <Synonyms> (188)
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>  <Target> (188)
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>  <Form> (188)
Free Base

>  <CAS> (188)
927880-90-8

>  <URL> (188)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

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>  <Mol_ID> (189)
191

>  <Formula> (189)
C9H6O4

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S2554

>  <Name> (189)
Daphnetin

>  <Synonyms> (189)
N/A 

>  <Target> (189)
DNA/RNA Synthesis

>  <Form> (189)
Free Base

>  <CAS> (189)
486-35-1

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

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C23H25ClFN7O

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S2179

>  <Name> (190)
Gandotinib (LY2784544)

>  <Synonyms> (190)
N/A

>  <Target> (190)
JAK 

>  <Form> (190)
Free Base

>  <CAS> (190)
1229236-86-5

>  <URL> (190)
http://www.selleckchem.com/products/LY2784544.html

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>  <Mol_ID> (191)
193

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C23H25ClFN5O3

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S2192

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AZD8931

>  <Synonyms> (191)
N/A

>  <Target> (191)
EGFR, HER2

>  <Form> (191)
Free Base

>  <CAS> (191)
848942-61-0

>  <URL> (191)
http://www.selleckchem.com/products/AZD8931.html

$$$$
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>  <Mol_ID> (192)
194

>  <Formula> (192)
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>  <Cat> (192)
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>  <Name> (192)
GSK461364

>  <Synonyms> (192)
N/A

>  <Target> (192)
PLK

>  <Form> (192)
Free Base

>  <CAS> (192)
929095-18-1

>  <URL> (192)
http://www.selleckchem.com/products/GSK461364.html

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Syk, Flt

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Besylate

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841290-81-1

>  <URL> (193)
http://www.selleckchem.com/products/R406.html

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SGI-1776 free base

>  <Synonyms> (194)
N/A

>  <Target> (194)
Pim

>  <Form> (194)
Free Base

>  <CAS> (194)
1025065-69-3

>  <URL> (194)
http://www.selleckchem.com/products/SGI-1776.html

$$$$
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197

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S2201

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BMS 794833

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BMS794833

>  <Target> (195)
c-Met, VEGFR

>  <Form> (195)
Free Base

>  <CAS> (195)
1174046-72-0

>  <URL> (195)
http://www.selleckchem.com/products/BMS-794833.html

$$$$
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198

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N/A

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VEGFR, Src, Raf, Bcr-Abl

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>  <CAS> (196)
940310-85-0

>  <URL> (196)
http://www.selleckchem.com/products/NVP-BHG712.html

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OSI 420.cdx
csChFnd80/09132414022D

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EGFR

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183320-51-6

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N/A

>  <Target> (198)
PI3K

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Free Base

>  <CAS> (198)
900185-01-5 

>  <URL> (198)
http://www.selleckchem.com/products/PIK-293.html

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S2214

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AZ 960

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N/A

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JAK

>  <Form> (199)
Free Base

>  <CAS> (199)
905586-69-8

>  <URL> (199)
http://www.selleckchem.com/products/AZ-960.html

$$$$
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HER2

>  <Form> (200)
Free Base

>  <CAS> (200)
366017-09-6

>  <URL> (200)
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$$$$
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M  END
>  <Mol_ID> (201)
203

>  <Formula> (201)
C16H16N6O

>  <MolWeight> (201)
308.33784

>  <Cat> (201)
S2218

>  <Name> (201)
Torkinib (PP242)

>  <Synonyms> (201)
TORKinib 

>  <Target> (201)
mTOR

>  <Form> (201)
Free Base

>  <CAS> (201)
1092351-67-1

>  <URL> (201)
http://www.selleckchem.com/products/PP242.html

$$$$
CYT 387.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (202)
204

>  <Formula> (202)
C23H22N6O2

>  <MolWeight> (202)
414.45978

>  <Cat> (202)
S2219

>  <Name> (202)
Momelotinib (CYT387)

>  <Synonyms> (202)
CYT 11387 

>  <Target> (202)
JAK 

>  <Form> (202)
Free Base

>  <CAS> (202)
1056634-68-4

>  <URL> (202)
http://www.selleckchem.com/products/Cyt387.html

$$$$
SB 590885.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (203)
205

>  <Formula> (203)
C27H27N5O2

>  <MolWeight> (203)
453.53558

>  <Cat> (203)
S2220

>  <Name> (203)
SB590885

>  <Synonyms> (203)
GSK2118436 

>  <Target> (203)
Raf

>  <Form> (203)
Free Base

>  <CAS> (203)
405554-55-4 

>  <URL> (203)
http://www.selleckchem.com/products/SB590885.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (204)
206

>  <Formula> (204)
C22H18O11

>  <MolWeight> (204)
458.37172

>  <Cat> (204)
S2250

>  <Name> (204)
(-)-Epigallocatechin gallate

>  <Synonyms> (204)
EGCG

>  <Target> (204)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (204)
Free Base

>  <CAS> (204)
989-51-5

>  <URL> (204)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
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csChFnd80/09132414022D

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   10.3450    3.8280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2081    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 14  5  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  5 25  1  6  0  0  0
M  END
>  <Mol_ID> (205)
207

>  <Formula> (205)
C18H16O7

>  <MolWeight> (205)
344.31544

>  <Cat> (205)
S2252

>  <Name> (205)
(+)-Usniacin (D-Usnic acid)

>  <Synonyms> (205)
D-Usnic acid

>  <Target> (205)
Others

>  <Form> (205)
Free Base

>  <CAS> (205)
7562-61-0

>  <URL> (205)
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
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    3.6331    2.0976    0.0000 C   0  0  1  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
    4.8413    1.4000    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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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  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
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 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> (206)
208

>  <Formula> (206)
C15H16O9

>  <MolWeight> (206)
340.28214

>  <Cat> (206)
S2258

>  <Name> (206)
Aesculin (Esculin)

>  <Synonyms> (206)
Esculin

>  <Target> (206)
Others

>  <Form> (206)
Free Base

>  <CAS> (206)
531-75-9

>  <URL> (206)
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
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    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
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 14 15  2  0  0  0  0
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 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> (207)
209

>  <Formula> (207)
C15H10O5

>  <MolWeight> (207)
270.2369

>  <Cat> (207)
S2262

>  <Name> (207)
Apigenin

>  <Synonyms> (207)
N/A

>  <Target> (207)
P450

>  <Form> (207)
Free Base

>  <CAS> (207)
520-36-5

>  <URL> (207)
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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    2.4207    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.1249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    4.5249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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 10  5  1  0  0  0  0
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 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> (208)
210

>  <Formula> (208)
C30H48O5

>  <MolWeight> (208)
488.69912

>  <Cat> (208)
S2266

>  <Name> (208)
Asiatic acid

>  <Synonyms> (208)
N/A

>  <Target> (208)
p38 MAPK

>  <Form> (208)
Free Base

>  <CAS> (208)
464-92-6

>  <URL> (208)
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
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (209)
211

>  <Formula> (209)
C20H18ClNO4

>  <MolWeight> (209)
371.81422

>  <Cat> (209)
S2271

>  <Name> (209)
Berberine chloride

>  <Synonyms> (209)
N/A

>  <Target> (209)
Antifection

>  <Form> (209)
chloride

>  <CAS> (209)
633-65-8

>  <URL> (209)
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
    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
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    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
    7.3937    3.5798    0.0000 O   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
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  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> (210)
212

>  <Formula> (210)
C19H20O3

>  <MolWeight> (210)
296.3603

>  <Cat> (210)
S2285

>  <Name> (210)
Cryptotanshinone

>  <Synonyms> (210)
N/A

>  <Target> (210)
STAT

>  <Form> (210)
Free Base

>  <CAS> (210)
35825-57-1

>  <URL> (210)
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
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    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  5  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
  6 17  2  0  0  0  0
  3 18  2  0  0  0  0
 14 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (211)
213

>  <Formula> (211)
C15H10O5

>  <MolWeight> (211)
270.2369

>  <Cat> (211)
S2295

>  <Name> (211)
Emodin

>  <Synonyms> (211)
N/A

>  <Target> (211)
Dehydrogenase

>  <Form> (211)
Free Base

>  <CAS> (211)
518-82-1

>  <URL> (211)
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
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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
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  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
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (212)
214

>  <Formula> (212)
C16H12O4

>  <MolWeight> (212)
268.26408

>  <Cat> (212)
S2299

>  <Name> (212)
Formononetin (Formononetol)

>  <Synonyms> (212)
Biochanin B, Formononetol 

>  <Target> (212)
Others

>  <Form> (212)
Free Base

>  <CAS> (212)
485-72-3

>  <URL> (212)
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> (213)
215

>  <Formula> (213)
C10H10O4

>  <MolWeight> (213)
194.184

>  <Cat> (213)
S2300

>  <Name> (213)
Fumalic acid (Ferulic acid)

>  <Synonyms> (213)
Ferulic acid

>  <Target> (213)
Others

>  <Form> (213)
Free Base

>  <CAS> (213)
1135-24-6

>  <URL> (213)
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
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    8.4786    6.2927    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
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (214)
216

>  <Formula> (214)
C16H14O6

>  <MolWeight> (214)
302.27876

>  <Cat> (214)
S2308

>  <Name> (214)
Hesperetin

>  <Synonyms> (214)
N/A

>  <Target> (214)
Histamine Receptor

>  <Form> (214)
Free Base

>  <CAS> (214)
520-33-2

>  <URL> (214)
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> (215)
217

>  <Formula> (215)
C18H18O2

>  <MolWeight> (215)
266.33432

>  <Cat> (215)
S2310

>  <Name> (215)
Honokiol

>  <Synonyms> (215)
N/A

>  <Target> (215)
Akt, MEK

>  <Form> (215)
Free Base

>  <CAS> (215)
35354-74-6

>  <URL> (215)
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
    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
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    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  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
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 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (216)
218

>  <Formula> (216)
C15H10O8

>  <MolWeight> (216)
318.2351

>  <Cat> (216)
S2326

>  <Name> (216)
Myricetin (Cannabiscetin)

>  <Synonyms> (216)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (216)
NULL

>  <Form> (216)
Free Base

>  <CAS> (216)
529-44-2

>  <URL> (216)
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    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (217)
219

>  <Formula> (217)
C21H20O12

>  <MolWeight> (217)
464.3763

>  <Cat> (217)
S2327

>  <Name> (217)
Myricitrin (Myricitrine)

>  <Synonyms> (217)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (217)
PKC

>  <Form> (217)
Free Base

>  <CAS> (217)
17912-87-7

>  <URL> (217)
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
    4.9802    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7677    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
    0.6429    3.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5654    1.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3429    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1884    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7778    4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8719    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624    7.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980    9.1019    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> (218)
220

>  <Formula> (218)
C20H28O6

>  <MolWeight> (218)
364.43272

>  <Cat> (218)
S2335

>  <Name> (218)
Oridonin (Isodonol)

>  <Synonyms> (218)
Isodonol

>  <Target> (218)
Others

>  <Form> (218)
Free Base

>  <CAS> (218)
28957-04-2

>  <URL> (218)
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
    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
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    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (219)
221

>  <Formula> (219)
C15H14O9

>  <MolWeight> (219)
338.26626

>  <Cat> (219)
S2347

>  <Name> (219)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (219)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (219)
Others

>  <Form> (219)
Dihydrate

>  <CAS> (219)
6151-25-3

>  <URL> (219)
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
    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
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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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   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  1  0  0  0
  9 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (220)
222

>  <Formula> (220)
C15H12O8

>  <MolWeight> (220)
320.25098

>  <Cat> (220)
S2399

>  <Name> (220)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (220)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (220)
Others

>  <Form> (220)
Free Base

>  <CAS> (220)
27200-12-0

>  <URL> (220)
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
    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
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    2.4249    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  1  1  0  0  0
 10 20  1  6  0  0  0
  9 21  1  6  0  0  0
  8 22  1  6  0  0  0
M  END
>  <Mol_ID> (221)
223

>  <Formula> (221)
C15H22N2O

>  <MolWeight> (221)
246.34798

>  <Cat> (221)
S2405

>  <Name> (221)
Sophocarpine

>  <Synonyms> (221)
N/A

>  <Target> (221)
Others

>  <Form> (221)
Free Base

>  <CAS> (221)
6483-15-4

>  <URL> (221)
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
    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    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (222)
224

>  <Formula> (222)
C15H10O4

>  <MolWeight> (222)
254.2375

>  <Cat> (222)
S2406

>  <Name> (222)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (222)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (222)
EGFR, mTOR

>  <Form> (222)
Free Base

>  <CAS> (222)
481-74-3

>  <URL> (222)
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
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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> (223)
225

>  <Formula> (223)
C15H24O2

>  <MolWeight> (223)
236.34986

>  <Cat> (223)
S2407

>  <Name> (223)
Curcumol

>  <Synonyms> (223)
N/A

>  <Target> (223)
JAK

>  <Form> (223)
Free Base

>  <CAS> (223)
4871-97-0

>  <URL> (223)
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
   10.8867    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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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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 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> (224)
226

>  <Formula> (224)
C18H29ClN2O

>  <MolWeight> (224)
324.88866

>  <Cat> (224)
S2454

>  <Name> (224)
Bupivacaine hydrochloride (Marcain)

>  <Synonyms> (224)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (224)
Sodium Channel

>  <Form> (224)
Hydrochloride

>  <CAS> (224)
18010-40-7

>  <URL> (224)
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
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    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
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152459-95-5

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Src

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936563-96-1

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934541-31-8

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http://www.selleckchem.com/products/tak-901.html

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M  END
>  <Mol_ID> (229)
231

>  <Formula> (229)
C28H21N7OS

>  <MolWeight> (229)
503.57764

>  <Cat> (229)
S2719

>  <Name> (229)
AMG 900

>  <Synonyms> (229)
N/A

>  <Target> (229)
Aurora Kinase

>  <Form> (229)
Free Base

>  <CAS> (229)
945595-80-2

>  <URL> (229)
http://www.selleckchem.com/products/amg-900.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (230)
232

>  <Formula> (230)
C22H30Cl2N4O6

>  <MolWeight> (230)
517.4028

>  <Cat> (230)
S2485

>  <Name> (230)
Mitoxantrone 2HCl

>  <Synonyms> (230)
NSC-301739

>  <Target> (230)
Topoisomerase

>  <Form> (230)
Dihydrochloride

>  <CAS> (230)
70476-82-3

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

$$$$
GSK2126458.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (231)
233

>  <Formula> (231)
C25H17F2N5O3S

>  <MolWeight> (231)
505.4959864

>  <Cat> (231)
S2658

>  <Name> (231)
Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (231)
N/A 

>  <Target> (231)
PI3K, mTOR

>  <Form> (231)
Free Base

>  <CAS> (231)
1086062-66-9 

>  <URL> (231)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
fty720.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (232)
234

>  <Formula> (232)
C19H34ClNO2

>  <MolWeight> (232)
343.93176

>  <Cat> (232)
S5002

>  <Name> (232)
Fingolimod (FTY720) HCl

>  <Synonyms> (232)
Gilenia 

>  <Target> (232)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (232)
Hydrochloride

>  <URL> (232)
http://www.selleckchem.com/products/FTY720.html

$$$$
CP-690550 citrate.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (233)
235

>  <Formula> (233)
C22H28N6O8

>  <MolWeight> (233)
504.49312

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S5001

>  <Name> (233)
Tofacitinib citrate (CP-690550 citrate)

>  <Synonyms> (233)
N/A 

>  <Target> (233)
JAK

>  <Form> (233)
Citrate

>  <CAS> (233)
540737-29-9

>  <URL> (233)
http://www.selleckchem.com/products/CP-690550.html

$$$$
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236

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C22H18FN7O

>  <MolWeight> (234)
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CAL-101 (GS-1101)

>  <Synonyms> (234)
CAL101

>  <Target> (234)
PI3K 

>  <Form> (234)
Free Base

>  <CAS> (234)
870281-82-6

>  <URL> (234)
http://www.selleckchem.com/products/CAL-101.html

$$$$
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237

>  <Formula> (235)
C34H50N8O3

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BI6727 (Volasertib)

>  <Synonyms> (235)
N/A 

>  <Target> (235)
PLK 

>  <Form> (235)
Free Base

>  <CAS> (235)
755038-65-4

>  <URL> (235)
http://www.selleckchem.com/products/BI6727-Volasertib.html

$$$$
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238

>  <Formula> (236)
C28H23N7O2

>  <MolWeight> (236)
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>  <Cat> (236)
S2227

>  <Name> (236)
PIK-294

>  <Synonyms> (236)
N/A 

>  <Target> (236)
PI3K 

>  <Form> (236)
Free Base

>  <CAS> (236)
900185-02-6

>  <URL> (236)
http://www.selleckchem.com/products/PIK-294.html

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (237)
239

>  <Formula> (237)
C20H16ClN5O3

>  <MolWeight> (237)
409.82574

>  <Cat> (237)
S2231

>  <Name> (237)
Telatinib (BAY 57-9352)

>  <Synonyms> (237)
N/A 

>  <Target> (237)
VEGFR, PDGFR, c-Kit

>  <Form> (237)
Free Base

>  <CAS> (237)
332012-40-5

>  <URL> (237)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

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

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>  <Mol_ID> (238)
240

>  <Formula> (238)
C10H16ClN5

>  <MolWeight> (238)
241.72054

>  <Cat> (238)
S2542

>  <Name> (238)
Phenformin hydrochloride 

>  <Synonyms> (238)
N/A

>  <Target> (238)
AMPK

>  <Form> (238)
Hydrochloride 

>  <CAS> (238)
834-28-6

>  <URL> (238)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

$$$$
AZD5438.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (239)
241

>  <Formula> (239)
C18H21N5O2S

>  <MolWeight> (239)
371.45664

>  <Cat> (239)
S2621

>  <Name> (239)
AZD5438

>  <Synonyms> (239)
N/A 

>  <Target> (239)
CDK

>  <Form> (239)
Free Base

>  <CAS> (239)
602306-29-6 

>  <URL> (239)
http://www.selleckchem.com/products/AZD5438.html

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

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242

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>  <Cat> (240)
S2624

>  <Name> (240)
OSI-027

>  <Synonyms> (240)
N/A 

>  <Target> (240)
mTOR

>  <Form> (240)
Free Base

>  <CAS> (240)
936890-98-1

>  <URL> (240)
http://www.selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (241)
243

>  <Formula> (241)
C17H17N7

>  <MolWeight> (241)
319.36378

>  <Cat> (241)
S2622

>  <Name> (241)
PP-121

>  <Synonyms> (241)
N/A

>  <Target> (241)
DNA-PK, mTOR, PDGF

>  <Form> (241)
Free Base

>  <CAS> (241)
1092788-83-4

>  <URL> (241)
http://www.selleckchem.com/products/PP121.html

$$$$
WP1130.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (242)
244

>  <Formula> (242)
C19H18BrN3O

>  <MolWeight> (242)
384.26972

>  <Cat> (242)
S2243

>  <Name> (242)
Degrasyn (WP1130)

>  <Synonyms> (242)
N/A

>  <Target> (242)
DUB, Bcr-Abl

>  <Form> (242)
Free Base

>  <CAS> (242)
856243-80-6

>  <URL> (242)
http://www.selleckchem.com/products/WP1130.html

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

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M  END
>  <Mol_ID> (243)
245

>  <Formula> (243)
C11H18ClNO3

>  <MolWeight> (243)
247.71852

>  <Cat> (243)
S2566

>  <Name> (243)
Isoprenaline hydrochloride

>  <Synonyms> (243)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (243)
Adrenergic Receptor

>  <Form> (243)
Hydrochloride

>  <CAS> (243)
51-30-9

>  <URL> (243)
http://www.selleckchem.com/products/Isoprenaline-hydrochloride.html

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

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M  END
>  <Mol_ID> (244)
246

>  <Formula> (244)
C18H21F3N6O2

>  <MolWeight> (244)
410.3935496

>  <Cat> (244)
S2247

>  <Name> (244)
BKM120 (NVP-BKM120)

>  <Synonyms> (244)
N/A 

>  <Target> (244)
PI3K

>  <Form> (244)
Free Base

>  <CAS> (244)
944396-07-0

>  <URL> (244)
http://www.selleckchem.com/products/BKM-120.html

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

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>  <Mol_ID> (245)
247

>  <Formula> (245)
C19H12ClN3O2

>  <MolWeight> (245)
349.77048

>  <Cat> (245)
S2248

>  <Name> (245)
cx-4945 (Silmitasertib)

>  <Synonyms> (245)
N/A 

>  <Target> (245)
PKC

>  <Form> (245)
Free Base

>  <CAS> (245)
1009820-21-6

>  <URL> (245)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

$$$$
LY2157299.cdx
csChFnd80/09132414022D

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1144068-46-1

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

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c-Met

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Free Base

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477575-56-7

>  <URL> (267)
http://www.selleckchem.com/products/PHA-665752.html

$$$$
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Geldanamycin

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N/A

>  <Target> (268)
HSP

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Free Base

>  <CAS> (268)
30562-34-6

>  <URL> (268)
http://www.selleckchem.com/products/geldanamycin.html

$$$$
A769662.cdx
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AMPK

>  <Form> (269)
Free Base

>  <CAS> (269)
844499-71-4

>  <URL> (269)
http://www.selleckchem.com/products/a-769662.html

$$$$
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JAK 

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936091-26-8

>  <URL> (274)
http://www.selleckchem.com/products/tg-101348.html

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AZ 3146

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>  <Target> (275)
Kinesin

>  <Form> (275)
Free Base

>  <CAS> (275)
1124329-14-1

>  <URL> (275)
http://www.selleckchem.com/products/az-3146.html

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N/A

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PI3K, mTOR

>  <Form> (276)
Free Base

>  <CAS> (276)
1007207-67-1

>  <URL> (276)
http://www.selleckchem.com/products/ch5132799.html

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>  <Form> (277)
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1032754-93-0

>  <URL> (277)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

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280

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Flavopiridol (Alvocidib) HCl

>  <Synonyms> (278)
N/A

>  <Target> (278)
CDK

>  <Form> (278)
Hydrochloride

>  <CAS> (278)
131740-09-5

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

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>  <Formula> (279)
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477.2986664

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S2726

>  <Name> (279)
PH-797804

>  <Synonyms> (279)
N/A

>  <Target> (279)
p38 MAPK

>  <Form> (279)
Free Base

>  <CAS> (279)
586379-66-0

>  <URL> (279)
http://www.selleckchem.com/products/ph-797804.html

$$$$
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>  <Mol_ID> (280)
282

>  <Formula> (280)
C24H25ClFN5O2

>  <MolWeight> (280)
469.9390032

>  <Cat> (280)
S2727

>  <Name> (280)
Dacomitinib (PF299804, PF-00299804)

>  <Synonyms> (280)
N/A

>  <Target> (280)
EGFR

>  <Form> (280)
Free Base

>  <CAS> (280)
1110813-31-4

>  <URL> (280)
http://www.selleckchem.com/products/pf299804.html

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SB415286.cdx
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>  <Mol_ID> (281)
283

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C16H10ClN3O5

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S2729

>  <Name> (281)
SB 415286

>  <Synonyms> (281)
N/A

>  <Target> (281)
GSK-3

>  <Form> (281)
Free Base

>  <CAS> (281)
264218-23-7

>  <URL> (281)
http://www.selleckchem.com/products/sb-415286.html

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1010085-13-8

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AG-1478 (Tyrphostin AG-1478)

>  <Synonyms> (286)
Tyrphostin AG-1478

>  <Target> (286)
EGFR

>  <Form> (286)
Free Base

>  <CAS> (286)
153436-53-4

>  <URL> (286)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

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

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M  END
>  <Mol_ID> (287)
289

>  <Formula> (287)
C22H27N5O4

>  <MolWeight> (287)
425.48088

>  <Cat> (287)
S2743

>  <Name> (287)
PF-04691502

>  <Synonyms> (287)
N/A

>  <Target> (287)
mTOR, PI3K, Akt

>  <Form> (287)
Free Base

>  <CAS> (287)
1013101-36-4 

>  <URL> (287)
http://www.selleckchem.com/products/pf-04691502.html

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

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>  <Mol_ID> (288)
290

>  <Formula> (288)
C28H32ClN3O6

>  <MolWeight> (288)
542.02318

>  <Cat> (288)
S2017

>  <Name> (288)
Benidipine hydrochloride

>  <Synonyms> (288)
N/A

>  <Target> (288)
calcium channel

>  <Form> (288)
Hydrochloride

>  <CAS> (288)
91599-74-5

>  <URL> (288)
http://www.selleckchem.com/products/benidipine-hydrochloride.html

$$$$
Lonidamine.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (289)
291

>  <Formula> (289)
C15H10Cl2N2O2

>  <MolWeight> (289)
321.1581

>  <Cat> (289)
S2610

>  <Name> (289)
Lonidamine

>  <Synonyms> (289)
N/A

>  <Target> (289)
Others

>  <Form> (289)
Free Base

>  <CAS> (289)
50264-69-2

>  <URL> (289)
http://www.selleckchem.com/products/lonidamine.html

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

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>  <Mol_ID> (290)
292

>  <Formula> (290)
C24H27N5O2

>  <MolWeight> (290)
417.50348

>  <Cat> (290)
S1536

>  <Name> (290)
CP 673451

>  <Synonyms> (290)
CP673451 

>  <Target> (290)
Others

>  <Form> (290)
Free Base

>  <CAS> (290)
343787-29-1

>  <URL> (290)
http://www.selleckchem.com/products/CP-673451.html

$$$$
Acarbose.cdx
csChFnd80/09132414022D

 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (291)
293

>  <Formula> (291)
C25H43NO18

>  <MolWeight> (291)
645.60482

>  <Cat> (291)
S1271

>  <Name> (291)
Acarbose

>  <Synonyms> (291)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (291)
Others

>  <Form> (291)
Free Base

>  <CAS> (291)
56180-94-0

>  <URL> (291)
http://www.selleckchem.com/products/Acarbose.html

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

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    4.8413    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> (292)
294

>  <Formula> (292)
C14H22N2O

>  <MolWeight> (292)
234.33728

>  <Cat> (292)
S1357

>  <Name> (292)
Lidocaine (Alphacaine)

>  <Synonyms> (292)
Alphacaine, Xylocaine, lignocaine

>  <Target> (292)
Histamine Receptor

>  <Form> (292)
Free Base

>  <CAS> (292)
137-58-6

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

$$$$
PHA.cdx
csChFnd80/09132414022D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8488    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (293)
295

>  <Formula> (293)
C12H11N3O

>  <MolWeight> (293)
213.23524

>  <Cat> (293)
S2742

>  <Name> (293)
PHA-767491

>  <Synonyms> (293)
N/A 

>  <Target> (293)
CDK

>  <Form> (293)
Free Base

>  <CAS> (293)
845714-00-3

>  <URL> (293)
http://www.selleckchem.com/products/pha-767491.html

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

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.7000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000    2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.6606    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
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  4  5  1  0  0  0  0
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  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (294)
296

>  <Formula> (294)
C7H6NaO3

>  <MolWeight> (294)
161.11051

>  <Cat> (294)
S3137

>  <Name> (294)
Sodium salicylate

>  <Synonyms> (294)
N/A 

>  <Target> (294)
NF-¦ÊB

>  <Form> (294)
sodium salt

>  <CAS> (294)
54-21-7

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

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

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0  0  0  0
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  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (295)
297

>  <Formula> (295)
C12H10FN3O2S

>  <MolWeight> (295)
279.2901032

>  <Cat> (295)
S2824

>  <Name> (295)
TPCA-1

>  <Synonyms> (295)
N/A 

>  <Target> (295)
IKK

>  <Form> (295)
Free Base

>  <CAS> (295)
507475-17-4

>  <URL> (295)
http://www.selleckchem.com/products/tpca-1.html

$$$$
AZD 6482.cdx
csChFnd80/09132414022D

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1173900-33-8

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http://www.selleckchem.com/products/azd6482.html

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845272-21-1

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http://www.selleckchem.com/products/arry334543.html

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865854-05-3 

>  <URL> (298)
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BI-D1870

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N/A

>  <Target> (309)
S6 Kinase

>  <Form> (309)
Free Base

>  <CAS> (309)
501437-28-1

>  <URL> (309)
http://www.selleckchem.com/products/bi-d1870.html

$$$$
Tyrphostin AG 17.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (310)
312

>  <Formula> (310)
C18H22N2O

>  <MolWeight> (310)
282.38008

>  <Cat> (310)
S2895

>  <Name> (310)
Tyrphostin 9 (SF 6847)

>  <Synonyms> (310)
Tyrphostin AG 17, Malonaben, NSC 242557, RG-50872

>  <Target> (310)
EGFR

>  <Form> (310)
Free Base

>  <CAS> (310)
10537-47-0

>  <URL> (310)
http://www.selleckchem.com/products/tyrphostin-9-sf-6847.html

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

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M  END
>  <Mol_ID> (311)
313

>  <Formula> (311)
C22H19ClFN3O2

>  <MolWeight> (311)
411.8565632

>  <Cat> (311)
S2896

>  <Name> (311)
ZM 323881 HCl

>  <Synonyms> (311)
N/A

>  <Target> (311)
VEGFR

>  <Form> (311)
Hydrochloride

>  <CAS> (311)
193000-39-4

>  <URL> (311)
http://www.selleckchem.com/products/zm-323881-hcl.html

$$$$
ZM306416.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (312)
314

>  <Formula> (312)
C16H13ClFN3O2

>  <MolWeight> (312)
333.7447232

>  <Cat> (312)
S2897

>  <Name> (312)
ZM 306416

>  <Synonyms> (312)
N/A

>  <Target> (312)
VEGFR

>  <Form> (312)
Free Base

>  <CAS> (312)
690206-97-4

>  <URL> (312)
http://www.selleckchem.com/products/zm-306416.html

$$$$
S-Ruxolitinib.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (313)
315

>  <Formula> (313)
C17H18N6

>  <MolWeight> (313)
306.36502

>  <Cat> (313)
S2902

>  <Name> (313)
S-Ruxolitinib

>  <Synonyms> (313)
N/A

>  <Target> (313)
JAK

>  <Form> (313)
Free Base

>  <CAS> (313)
941685-37-6

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

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

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>  <Mol_ID> (314)
316

>  <Formula> (314)
C19H21ClFNO3

>  <MolWeight> (314)
365.8263432

>  <Cat> (314)
S3005

>  <Name> (314)
Paroxetine HCl

>  <Synonyms> (314)
N/A

>  <Target> (314)
5-HT Receptor

>  <Form> (314)
Hydrochloride

>  <CAS> (314)
78246-49-8

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

$$$$
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PKC

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137975-06-5

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

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PLK

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1228960-69-7

>  <URL> (319)
http://www.selleckchem.com/products/mln0905.html

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EGFR

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610798-31-7

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

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 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (323)
325

>  <Formula> (323)
C13H16N2O2

>  <MolWeight> (323)
232.27834

>  <Cat> (323)
S1204

>  <Name> (323)
Melatonin

>  <Synonyms> (323)
Melatonex

>  <Target> (323)
MT Receptor

>  <Form> (323)
Free Base

>  <CAS> (323)
73-31-4

>  <URL> (323)
http://www.selleckchem.com/products/Melatonin.html

$$$$
H-89.cdx
csChFnd80/09132414022D

 29 29  0  0  0  0  0  0  0  0999 V2000
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 26 21  1  0  0  0  0
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M  END
>  <Mol_ID> (324)
326

>  <Formula> (324)
C20H22BrCl2N3O2S

>  <MolWeight> (324)
519.28258

>  <Cat> (324)
S1582

>  <Name> (324)
H 89 2HCl

>  <Synonyms> (324)
N/A

>  <Target> (324)
S6 Kinase

>  <Form> (324)
Dihydrochloride

>  <CAS> (324)
130964-39-5

>  <URL> (324)
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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 14  2  1  0  0  0  0
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 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> (325)
327

>  <Formula> (325)
C15H13N3O3S

>  <MolWeight> (325)
315.34702

>  <Cat> (325)
S1830

>  <Name> (325)
Oxfendazole

>  <Synonyms> (325)
N/A

>  <Target> (325)
Antifection

>  <Form> (325)
Free Base

>  <CAS> (325)
53716-50-0

>  <URL> (325)
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
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M  END
>  <Mol_ID> (326)
328

>  <Formula> (326)
C18H23Cl2NO

>  <MolWeight> (326)
340.28732

>  <Cat> (326)
S2499

>  <Name> (326)
Phenoxybenzamine HCl

>  <Synonyms> (326)
N/A

>  <Target> (326)
Androgen Receptor

>  <Form> (326)
HCl

>  <CAS> (326)
63-92-3

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

$$$$
Pazopanib.cdx
csChFnd80/09132414022D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (327)
329

>  <Formula> (327)
C21H23N7O2S

>  <MolWeight> (327)
437.51802

>  <Cat> (327)
S3012

>  <Name> (327)
Pazopanib

>  <Synonyms> (327)
N/A

>  <Target> (327)
VEGFR

>  <Form> (327)
Free Base

>  <CAS> (327)
444731-52-6

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

$$$$
BAY 11-7082.cdx
csChFnd80/09132414022D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (328)
330

>  <Formula> (328)
C10H9NO2S

>  <MolWeight> (328)
207.24896

>  <Cat> (328)
S2913

>  <Name> (328)
BAY 11-7082 (BAY 11-7821)

>  <Synonyms> (328)
N/A

>  <Target> (328)
I¦ÊB/IKK

>  <Form> (328)
Free Base

>  <CAS> (328)
19542-67-7

>  <URL> (328)
http://www.selleckchem.com/products/bay-11-7082-bay-11-7821.html

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

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (329)
331

>  <Formula> (329)
C18H13F3N4O2

>  <MolWeight> (329)
374.3166296

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S2899

>  <Name> (329)
GNF-2

>  <Synonyms> (329)
N/A

>  <Target> (329)
Bcr-Abl

>  <Form> (329)
Free Base

>  <CAS> (329)
778270-11-4

>  <URL> (329)
http://www.selleckchem.com/products/gnf-2.html

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

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M  END
>  <Mol_ID> (330)
332

>  <Formula> (330)
C26H23N5O

>  <MolWeight> (330)
421.49372

>  <Cat> (330)
S1091

>  <Name> (330)
OSI-906 (Linsitinib)

>  <Synonyms> (330)
N/A

>  <Target> (330)
IGF-1R

>  <Form> (330)
Free Base

>  <CAS> (330)
867160-71-2

>  <URL> (330)
http://www.selleckchem.com/products/OSI-906.html

$$$$
aicar.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (331)
333

>  <Formula> (331)
C9H14N4O5

>  <MolWeight> (331)
258.23126

>  <Cat> (331)
S1802

>  <Name> (331)
AICAR (Acadesine)

>  <Synonyms> (331)
AICAR, AICA-riboside

>  <Target> (331)
AMPK

>  <Form> (331)
Free Base

>  <CAS> (331)
2627-69-2

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

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

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>  <Mol_ID> (332)
334

>  <Formula> (332)
C32H30FN3O10

>  <MolWeight> (332)
635.5931032

>  <Cat> (332)
S4001

>  <Name> (332)
Cabozantinib malate

>  <Synonyms> (332)
N/A

>  <Target> (332)
VEGFR

>  <Form> (332)
Malate

>  <CAS> (332)
1140909-48-3

>  <URL> (332)
http://www.selleckchem.com/products/cabozantinib-malate.html

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

 28 31  0  0  0  0  0  0  0  0999 V2000
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JNK-IN-8

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N/A

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Free Base

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Free Base

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1410880-22-6

>  <URL> (336)
http://www.selleckchem.com/products/jnk-in-8.html

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

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339

>  <Formula> (337)
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N/A

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I¦ÊB/IKK

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Free Base

>  <CAS> (337)
354812-17-2

>  <URL> (337)
http://www.selleckchem.com/products/sc-514.html

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

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>  <Mol_ID> (338)
340

>  <Formula> (338)
C24H33ClN2O3

>  <MolWeight> (338)
432.98342

>  <Cat> (338)
S4037

>  <Name> (338)
Doxapram HCl

>  <Synonyms> (338)
N/A

>  <Target> (338)
Potassium Channel

>  <Form> (338)
HCl

>  <CAS> (338)
7081-53-0

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

$$$$
nifuroxazide.cdx
csChFnd80/09132414022D

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341

>  <Formula> (339)
C12H9N3O5

>  <MolWeight> (339)
275.21696

>  <Cat> (339)
S4182

>  <Name> (339)
Nifuroxazide

>  <Synonyms> (339)
N/A

>  <Target> (339)
STAT

>  <Form> (339)
Free Base

>  <CAS> (339)
965-52-6

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

$$$$
MDBN.cdx
csChFnd80/09132414022D

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342

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C9H7NO4

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>  <Cat> (340)
S4921

>  <Name> (340)
MNS (3,4-Methylenedioxy-¦Â-nitrostyrene)

>  <Synonyms> (340)
N/A

>  <Target> (340)
Tyrosinase,p97,Syk,Src

>  <Form> (340)
Free Base

>  <CAS> (340)
1485-00-3

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

$$$$
VX-745.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (341)
343

>  <Formula> (341)
C19H9Cl2F2N3OS

>  <MolWeight> (341)
436.2620664

>  <Cat> (341)
S1458

>  <Name> (341)
VX-745

>  <Synonyms> (341)
N/A

>  <Target> (341)
p38 MAPK 

>  <Form> (341)
Free Base

>  <CAS> (341)
209410-46-8

>  <URL> (341)
http://www.selleckchem.com/products/VX-745.html

$$$$
untitled.cdx
csChFnd80/09132414022D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (342)
344

>  <Formula> (342)
C13H16N6O4

>  <MolWeight> (342)
320.30394

>  <Cat> (342)
S1117

>  <Name> (342)
Triciribine

>  <Synonyms> (342)
N/A

>  <Target> (342)
Akt

>  <Form> (342)
Free Base

>  <CAS> (342)
35943-35-2

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

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

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (343)
345

>  <Formula> (343)
C15H12O7

>  <MolWeight> (343)
304.25158

>  <Cat> (343)
S2366

>  <Name> (343)
Taxifolin (Dihydroquercetin)

>  <Synonyms> (343)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (343)
VEGFR

>  <Form> (343)
Free Base

>  <CAS> (343)
480-18-2

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

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

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M  END
>  <Mol_ID> (344)
346

>  <Formula> (344)
C14H10F3NO2

>  <MolWeight> (344)
281.2299096

>  <Cat> (344)
S4268

>  <Name> (344)
Flufenamic acid

>  <Synonyms> (344)
N/A

>  <Target> (344)
COX

>  <Form> (344)
Free Base

>  <CAS> (344)
530-78-9

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

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

 31 33  0  0  0  0  0  0  0  0999 V2000
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 30 15  1  0  0  0  0
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M  END
>  <Mol_ID> (345)
347

>  <Formula> (345)
C19H20F3IN2O5S

>  <MolWeight> (345)
572.3371796

>  <Cat> (345)
S1089

>  <Name> (345)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (345)
BAY 869766

>  <Target> (345)
MEK

>  <Form> (345)
Free Base

>  <CAS> (345)
923032-37-5

>  <URL> (345)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
Dicoumarol.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (346)
348

>  <Formula> (346)
C19H12O6

>  <MolWeight> (346)
336.29498

>  <Cat> (346)
S4299

>  <Name> (346)
Dicoumarol

>  <Synonyms> (346)
Dicumarol

>  <Target> (346)
Others

>  <Form> (346)
Free Base

>  <CAS> (346)
66-76-2

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

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

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M  END
>  <Mol_ID> (347)
349

>  <Formula> (347)
C24H25ClFN5O3

>  <MolWeight> (347)
485.9384032

>  <Cat> (347)
S1011

>  <Name> (347)
Afatinib (BIBW2992)

>  <Synonyms> (347)
N/A

>  <Target> (347)
EGFR

>  <Form> (347)
Free Base

>  <CAS> (347)
439081-18-2

>  <URL> (347)
http://www.selleckchem.com/products/BIBW2992.html

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

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M  END
>  <Mol_ID> (348)
350

>  <Formula> (348)
C44H69NO12

>  <MolWeight> (348)
804.01816

>  <Cat> (348)
S5003

>  <Name> (348)
Tacrolimus (FK506)

>  <Synonyms> (348)
FR900506

>  <Target> (348)
mTOR

>  <Form> (348)
Free Base

>  <CAS> (348)
104987-11-3

>  <URL> (348)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
R-Ruxolitinib.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (349)
351

>  <Formula> (349)
C17H18N6

>  <MolWeight> (349)
306.36502

>  <Cat> (349)
S1378

>  <Name> (349)
Ruxolitinib (INCB018424)

>  <Synonyms> (349)
N/A

>  <Target> (349)
JAK

>  <Form> (349)
Free Base

>  <CAS> (349)
941678-49-5

>  <URL> (349)
http://www.selleckchem.com/products/INCB18424.html

$$$$
Temsirolimus.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (350)
352

>  <Formula> (350)
C56H87NO16

>  <MolWeight> (350)
1030.28708

>  <Cat> (350)
S1044

>  <Name> (350)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (350)
N/A

>  <Target> (350)
mTOR

>  <Form> (350)
Free Base

>  <CAS> (350)
162635-04-3

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

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

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>  <Mol_ID> (351)
353

>  <Formula> (351)
C25H31N7O6

>  <MolWeight> (351)
525.55694

>  <Cat> (351)
S2018

>  <Name> (351)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (351)
N/A

>  <Target> (351)
FLT3

>  <Form> (351)
Free Base

>  <CAS> (351)
1291074-87-7

>  <URL> (351)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
PF-2341066.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (352)
354

>  <Formula> (352)
C21H22Cl2FN5O

>  <MolWeight> (352)
450.3366832

>  <Cat> (352)
S1068

>  <Name> (352)
Crizotinib (PF-02341066)

>  <Synonyms> (352)
N/A 

>  <Target> (352)
c-Met, ALK

>  <Form> (352)
Free Base

>  <CAS> (352)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (352)
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)

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N/A

>  <Target> (353)
HER2

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Free Base

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714971-09-2

>  <URL> (353)
http://www.selleckchem.com/products/BMS-599626.html

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S1263.cdx
csChFnd80/09132414022D

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356

>  <Formula> (354)
C22H18Cl2N8

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CHIR-99021 (CT99021)

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>  <Target> (354)
GSK-3

>  <Form> (354)
Free Base

>  <CAS> (354)
252917-06-9

>  <URL> (354)
http://www.selleckchem.com/products/CHIR-99021.html

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

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>  <Mol_ID> (355)
357

>  <Formula> (355)
C21H20ClNO5

>  <MolWeight> (355)
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>  <Cat> (355)
S1230

>  <Name> (355)
Flavopiridol (Alvocidib)

>  <Synonyms> (355)
NSC 649890 HCl,HMR-1275

>  <Target> (355)
CDK

>  <Form> (355)
Free Base

>  <CAS> (355)
146426-40-6

>  <URL> (355)
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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225.24924

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S4511

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6-Benzylaminopurine

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N/A

>  <Target> (356)
Others

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Free Base

>  <CAS> (356)
1214-39-7

>  <URL> (356)
http://www.selleckchem.com/products/6-benzylaminopurine.html

$$$$

csChFnd80/09132414022D

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    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> (357)
359

>  <Formula> (357)
C6H13Li3O11

>  <MolWeight> (357)
281.98382

>  <Cat> (357)
S4519

>  <Name> (357)
Citric acid trilithium salt tetrahydrate

>  <Synonyms> (357)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (357)
Others

>  <Form> (357)
Free Base

>  <CAS> (357)
6080-58-6

>  <URL> (357)
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> (358)
360

>  <Formula> (358)
C14H8O4

>  <MolWeight> (358)
240.21092

>  <Cat> (358)
S4561

>  <Name> (358)
Danthron

>  <Synonyms> (358)
chrysazin, Antrapurol

>  <Target> (358)
Others

>  <Form> (358)
Free Base

>  <CAS> (358)
117-10-2

>  <URL> (358)
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> (359)
361

>  <Formula> (359)
C14H23ClN2O

>  <MolWeight> (359)
270.79822

>  <Cat> (359)
S4667

>  <Name> (359)
Lidocaine hydrochloride

>  <Synonyms> (359)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (359)
Others

>  <Form> (359)
hydrochloride

>  <CAS> (359)
73-78-9

>  <URL> (359)
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> (360)
362

>  <Formula> (360)
C9H6O4

>  <MolWeight> (360)
178.14154

>  <Cat> (360)
S4711

>  <Name> (360)
Esculetin

>  <Synonyms> (360)
Cichorigenin|Aesculetin

>  <Target> (360)
Others

>  <Form> (360)
Free Base

>  <CAS> (360)
305-01-1

>  <URL> (360)
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> (361)
363

>  <Formula> (361)
C6H12O5

>  <MolWeight> (361)
164.15648

>  <Cat> (361)
S4701

>  <Name> (361)
2-Deoxy-D-glucose

>  <Synonyms> (361)
2-deoxyglucose, NSC 15193

>  <Target> (361)
Others

>  <Form> (361)
Free Base

>  <CAS> (361)
154-17-6

>  <URL> (361)
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> (362)
364

>  <Formula> (362)
C21H26ClN3OS

>  <MolWeight> (362)
403.96864

>  <Cat> (362)
S4731

>  <Name> (362)
Perphenazine

>  <Synonyms> (362)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (362)
Dopamine Receptor

>  <Form> (362)
Free Base

>  <CAS> (362)
58-39-9

>  <URL> (362)
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
   13.0201    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2325    4.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4449    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6574    4.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8698    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0358    5.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
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1919820-28-2

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http://www.selleck.cn/products/lti-291.html

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Rocornal, Trapymin, Avantrin, Trapymine

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PDGFR

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Free Base

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15421-84-8

>  <URL> (364)
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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NS-187.cdx
csChFnd80/09132414022D

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C30H31F3N8O

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Bafetinib (INNO-406)

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NS-187

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Abl,Lyn

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859212-16-1

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

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S3609 Berbamine (dihydrochloride).cdx
csChFnd80/09132414022D

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 21 46  1  0  0  0  0
 46 47  1  0  0  0  0
M  END
>  <Mol_ID> (367)
369

>  <Formula> (367)
C37H42Cl2N2O6

>  <MolWeight> (367)
681.64518

>  <Cat> (367)
S3609

>  <Name> (367)
Berbamine (dihydrochloride)

>  <Synonyms> (367)
N/A

>  <Target> (367)
NF-¦ÊB,bcr/abl

>  <Form> (367)
dihydrochloride

>  <CAS> (367)
6078-17-7

>  <URL> (367)
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
    7.2745    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.2905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5549    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  5  2  1  1  0  0  0
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  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
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M  END
>  <Mol_ID> (368)
370

>  <Formula> (368)
C18H16O8

>  <MolWeight> (368)
360.31484

>  <Cat> (368)
S3612

>  <Name> (368)
Rosmarinic acid

>  <Synonyms> (368)
Rosemary acid

>  <Target> (368)
IKK ¦Â

>  <Form> (368)
free base

>  <CAS> (368)
20283-92-5

>  <URL> (368)
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
    3.6614    8.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7207    6.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    6.0514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048   10.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1572    3.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551    2.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8066   10.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0852    7.9086    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9050   12.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0388    2.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4389    2.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0330   10.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3874    6.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3443    8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2123    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4102    3.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2414   10.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    5.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5568    7.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0959    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0789    4.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7403    3.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  1  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
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 26 32  1  0  0  0  0
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 28 33  1  0  0  0  0
 29 34  1  1  0  0  0
 29 35  1  0  0  0  0
 31 36  1  0  0  0  0
 32 37  1  0  0  0  0
 33 38  1  0  0  0  0
 34 39  1  0  0  0  0
 35 40  1  0  0  0  0
 35 38  1  0  0  0  0
 36 41  1  0  0  0  0
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 43 45  2  0  0  0  0
M  END
>  <Mol_ID> (369)
371

>  <Formula> (369)
C37H40N2O6

>  <MolWeight> (369)
608.7233

>  <Cat> (369)
S3606

>  <Name> (369)
Fangchinoline

>  <Synonyms> (369)
N/A

>  <Target> (369)
HIV-1

>  <Form> (369)
free base

>  <CAS> (369)
33889-68-8

>  <URL> (369)
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> (370)
372

>  <Formula> (370)
C4H7NO2

>  <MolWeight> (370)
101.10388

>  <Cat> (370)
S3699

>  <Name> (370)
2,3-Butanedione-2-monoxime

>  <Synonyms> (370)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (370)
skeletal muscle myosin-II

>  <Form> (370)
free base

>  <CAS> (370)
57-71-6

>  <URL> (370)
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
   11.8879   14.3792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   15.0858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8879   13.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1895   13.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0965   15.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4433   14.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   16.4799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.2955   14.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (371)
373

>  <Formula> (371)
C48H78O19

>  <MolWeight> (371)
959.12152

>  <Cat> (371)
S3616

>  <Name> (371)
Asiaticoside

>  <Synonyms> (371)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (371)
Others

>  <Form> (371)
free base

>  <CAS> (371)
16830-15-2

>  <URL> (371)
http://www.selleckchem.com/products/asiaticoside.html

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

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M  END
>  <Mol_ID> (372)
374

>  <Formula> (372)
C37H40N2O6

>  <MolWeight> (372)
608.7233

>  <Cat> (372)
S3611

>  <Name> (372)
(+)-Fangchinoline

>  <Synonyms> (372)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (372)
Others

>  <Form> (372)
free base

>  <CAS> (372)
436-77-1

>  <URL> (372)
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
    2.7509    2.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858    3.5533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.8868    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    6.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9160    4.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    4.6475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (373)
375

>  <Formula> (373)
C15H18O2

>  <MolWeight> (373)
230.30222

>  <Cat> (373)
S3615

>  <Name> (373)
Dehydrocostus Lactone

>  <Synonyms> (373)
N/A

>  <Target> (373)
 IKK¦Â

>  <Form> (373)
free base

>  <CAS> (373)
477-43-0

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

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

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.8869    5.3861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (374)
376

>  <Formula> (374)
C10H13N5O3

>  <MolWeight> (374)
251.24192

>  <Cat> (374)
S3610

>  <Name> (374)
Cordycepin

>  <Synonyms> (374)
N/A

>  <Target> (374)
Others

>  <Form> (374)
free base

>  <CAS> (374)
73-03-0

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

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

 10 11  0  0  0  0  0  0  0  0999 V2000
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    1.2124    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (375)
377

>  <Formula> (375)
C7H6O3

>  <MolWeight> (375)
138.12074

>  <Cat> (375)
S3626

>  <Name> (375)
Sesamol

>  <Synonyms> (375)
1,3-Benzodioxol-5-ol, 3,4-Methylenedioxyphenol

>  <Target> (375)
Others

>  <Form> (375)
free base

>  <CAS> (375)
533-31-3

>  <URL> (375)
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> (376)
378

>  <Formula> (376)
C11H8O3

>  <MolWeight> (376)
188.17942

>  <Cat> (376)
S3661

>  <Name> (376)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (376)
N/A

>  <Target> (376)
PKC

>  <Form> (376)
free base

>  <CAS> (376)
2348-82-5

>  <URL> (376)
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
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    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> (377)
379

>  <Formula> (377)
C16H14N2O4

>  <MolWeight> (377)
298.29336

>  <Cat> (377)
S3648

>  <Name> (377)
Amlexanox

>  <Synonyms> (377)
AA-673, CHX-3673

>  <Target> (377)
TBK1,IKK-¦Å

>  <Form> (377)
free base

>  <CAS> (377)
68302-57-8

>  <URL> (377)
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> (378)
380

>  <Formula> (378)
C19H18N4O2S

>  <MolWeight> (378)
366.43682

>  <Cat> (378)
S3666

>  <Name> (378)
Ilaprazole

>  <Synonyms> (378)
IY-81149

>  <Target> (378)
Proton pump,TOPK 

>  <Form> (378)
free base

>  <CAS> (378)
172152-36-2

>  <URL> (378)
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> (379)
381

>  <Formula> (379)
C15H14O3

>  <MolWeight> (379)
242.26986

>  <Cat> (379)
S3939

>  <Name> (379)
4'-Methoxyresveratrol

>  <Synonyms> (379)
N/A

>  <Target> (379)
Others

>  <Form> (379)
free base

>  <CAS> (379)
33626-08-3

>  <URL> (379)
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
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    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> (380)
382

>  <Formula> (380)
C16H16O4

>  <MolWeight> (380)
272.29584

>  <Cat> (380)
S3940

>  <Name> (380)
3'-Hydroxypterostilbene

>  <Synonyms> (380)
3'-HPT

>  <Target> (380)
Others

>  <Form> (380)
free base

>  <CAS> (380)
475231-21-1

>  <URL> (380)
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
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 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> (381)
383

>  <Formula> (381)
C18H22O4

>  <MolWeight> (381)
302.36488

>  <Cat> (381)
S3984

>  <Name> (381)
Nordihydroguaiaretic acid

>  <Synonyms> (381)
N/A

>  <Target> (381)
lipoxygenase

>  <Form> (381)
free base

>  <CAS> (381)
500-38-9

>  <URL> (381)
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> (382)
384

>  <Formula> (382)
C6H13NO4

>  <MolWeight> (382)
163.17172

>  <Cat> (382)
S3839

>  <Name> (382)
1-Deoxynojirimycin

>  <Synonyms> (382)
duvoglustat, moranolin

>  <Target> (382)
¦Á-glucosidase

>  <Form> (382)
free base

>  <CAS> (382)
19130-96-2

>  <URL> (382)
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> (383)
385

>  <Formula> (383)
C13H13ClN2O

>  <MolWeight> (383)
248.70812

>  <Cat> (383)
S3817

>  <Name> (383)
Harmine hydrochloride

>  <Synonyms> (383)
telepathine hydrochloride

>  <Target> (383)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (383)
hydrochloride

>  <CAS> (383)
343-27-1

>  <URL> (383)
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> (384)
386

>  <Formula> (384)
C19H20O5

>  <MolWeight> (384)
328.3591

>  <Cat> (384)
S3819

>  <Name> (384)
Decursinol angelate

>  <Synonyms> (384)
N/A

>  <Target> (384)
PKC

>  <Form> (384)
free base

>  <CAS> (384)
130848-06-5

>  <URL> (384)
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
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    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> (385)
387

>  <Formula> (385)
C21H20O11

>  <MolWeight> (385)
448.3769

>  <Cat> (385)
S3824

>  <Name> (385)
Quercitrin

>  <Synonyms> (385)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (385)
Others

>  <Form> (385)
free base

>  <CAS> (385)
522-12-3

>  <URL> (385)
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> (386)
388

>  <Formula> (386)
C17H26O4

>  <MolWeight> (386)
294.38594

>  <Cat> (386)
S3836

>  <Name> (386)
6-Gingerol

>  <Synonyms> (386)
CI-1011

>  <Target> (386)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (386)
free base

>  <CAS> (386)
23513-14-6

>  <URL> (386)
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
    4.8477    5.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    3.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6358    5.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3935    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    1.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    1.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0155    4.5803    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6145    5.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4228    5.9740    0.0000 O   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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 19  6  2  0  0  0  0
  7  8  1  0  0  0  0
 11  7  1  0  0  0  0
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 20  8  2  0  0  0  0
 13 10  1  0  0  0  0
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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (387)
389

>  <Formula> (387)
C19H17NaO6S

>  <MolWeight> (387)
396.38945

>  <Cat> (387)
S3766

>  <Name> (387)
Tanshinone IIA sulfonate (sodium)

>  <Synonyms> (387)
N/A

>  <Target> (387)
CYP3A4

>  <Form> (387)
sodium salt

>  <CAS> (387)
69659-80-9

>  <URL> (387)
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
    4.3197    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
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  2  7  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> (388)
390

>  <Formula> (388)
C8H8O4

>  <MolWeight> (388)
168.14672

>  <Cat> (388)
S3759

>  <Name> (388)
Norcantharidin

>  <Synonyms> (388)
Endothall anhydride

>  <Target> (388)
c-Met,EGFR

>  <Form> (388)
free base

>  <CAS> (388)
29745-04-8

>  <URL> (388)
http://www.selleckchem.com/products/norcantharidin.html

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

 55 59  0  0  0  0  0  0  0  0999 V2000
    9.7655    7.3069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4955    6.1066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4383    8.5218    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.8689    8.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0781    8.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9140    1.2133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   16.1055   10.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5804   15.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6617   17.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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 12  6  1  6  0  0  0
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 22 29  1  0  0  0  0
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 24 31  1  1  0  0  0
 24 29  1  0  0  0  0
 25 32  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  6  0  0  0
 27 35  1  0  0  0  0
 27 36  2  0  0  0  0
 28 37  1  0  0  0  0
 29 38  1  6  0  0  0
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 32 40  1  1  0  0  0
 33 41  1  1  0  0  0
 33 39  1  0  0  0  0
 35 42  2  0  0  0  0
 36 43  1  0  0  0  0
 37 44  2  0  0  0  0
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 40 47  1  0  0  0  0
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 42 49  1  0  0  0  0
 43 48  2  0  0  0  0
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 45 51  2  0  0  0  0
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M  END
>  <Mol_ID> (389)
391

>  <Formula> (389)
C35H46O20

>  <MolWeight> (389)
786.72774

>  <Cat> (389)
S3783

>  <Name> (389)
Echinacoside

>  <Synonyms> (389)
N/A

>  <Target> (389)
Others

>  <Form> (389)
free base

>  <CAS> (389)
82854-37-3

>  <URL> (389)
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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 10 13  1  0  0  0  0
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M  END
>  <Mol_ID> (390)
392

>  <Formula> (390)
C26H30O7

>  <MolWeight> (390)
454.5122

>  <Cat> (390)
S3784

>  <Name> (390)
Obacunone

>  <Synonyms> (390)
N/A

>  <Target> (390)
Nrf2,Aromatase

>  <Form> (390)
free base

>  <CAS> (390)
751-03-1

>  <URL> (390)
http://www.selleckchem.com/products/obacunone.html

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

 24 27  0  0  0  0  0  0  0  0999 V2000
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    5.0347    0.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6150    0.6478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4896    3.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2747    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2747    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4896    4.8474    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6995    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9144    4.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6995    6.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1241    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9144    3.4476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9144    7.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1241    6.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3392    7.6773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0395    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (391)
393

>  <Formula> (391)
C20H20O4

>  <MolWeight> (391)
324.3704

>  <Cat> (391)
S3786

>  <Name> (391)
Glabridin

>  <Synonyms> (391)
Q-100692, KB-289522, LS-176045

>  <Target> (391)
PPAR¦Ã,¦Á1¦Â2¦Ã2,¦Á1¦Â3¦Ã2,¦Á1¦Â2,¦Á1¦Â1¦Ã2

>  <Form> (391)
free base

>  <CAS> (391)
59870-68-7

>  <URL> (391)
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
   12.1282    3.4866    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9238    4.1820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1282    2.0946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6991    3.4749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9297    1.4027    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    3.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0712    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  6  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  4  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 25  1  6  0  0  0
  6  9  1  6  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  6  0  0  0
  8 11  1  6  0  0  0
  8 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 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
 16 19  1  6  0  0  0
 17 20  1  0  0  0  0
 17 21  1  1  0  0  0
 18 22  1  1  0  0  0
 18 20  1  0  0  0  0
 20 23  1  6  0  0  0
 21 24  1  0  0  0  0
  5 27  1  0  0  0  0
 14 28  1  6  0  0  0
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 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
 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
M  END
>  <Mol_ID> (392)
394

>  <Formula> (392)
C24H28O11

>  <MolWeight> (392)
492.47252

>  <Cat> (392)
S3787

>  <Name> (392)
Picroside I

>  <Synonyms> (392)
6'-Cinnamoylcatalpol

>  <Target> (392)
Antifection

>  <Form> (392)
free base

>  <CAS> (392)
27409-30-9

>  <URL> (392)
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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  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
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  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (393)
395

>  <Formula> (393)
C17H14O5

>  <MolWeight> (393)
298.29006

>  <Cat> (393)
S3918

>  <Name> (393)
4',7-Dimethoxy-5-Hydroxyflavone

>  <Synonyms> (393)
apigenin dimethylether; apigenin 7,4'-dimethyl ether; genkwanin 4'-methyl ether

>  <Target> (393)
Others

>  <Form> (393)
free base

>  <CAS> (393)
5128-44-9

>  <URL> (393)
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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    4.8528    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6408    3.4994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6415    2.0994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8543    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4280    4.1987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8550    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3695   19.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7973   20.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6718   16.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0868   14.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (394)
396

>  <Formula> (394)
C48H82O18

>  <MolWeight> (394)
947.15388

>  <Cat> (394)
S3811

>  <Name> (394)
Ginsenoside Re

>  <Synonyms> (394)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (394)
Others

>  <Form> (394)
free base

>  <CAS> (394)
52286-59-6

>  <URL> (394)
http://www.selleckchem.com/products/ginsenoside-re.html

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

 14 15  0  0  0  0  0  0  0  0999 V2000
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    2.4309    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (395)
397

>  <Formula> (395)
C10H8O4

>  <MolWeight> (395)
192.16812

>  <Cat> (395)
S3881

>  <Name> (395)
Scopoletin

>  <Synonyms> (395)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (395)
Immunology & Inflammation related

>  <Form> (395)
free base

>  <CAS> (395)
92-61-5

>  <URL> (395)
http://www.selleckchem.com/products/scopoletin.html

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

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M  END
>  <Mol_ID> (396)
398

>  <Formula> (396)
C41H68O14

>  <MolWeight> (396)
784.97022

>  <Cat> (396)
S3901

>  <Name> (396)
Astragaloside IV

>  <Synonyms> (396)
AST-IV, AS-IV

>  <Target> (396)
Others

>  <Form> (396)
free base

>  <CAS> (396)
84687-43-4

>  <URL> (396)
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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>  <Mol_ID> (397)
399

>  <Formula> (397)
C20H24O11

>  <MolWeight> (397)
440.39796

>  <Cat> (397)
S3781

>  <Name> (397)
Ginkgolide C

>  <Synonyms> (397)
BN-52022

>  <Target> (397)
Others

>  <Form> (397)
free base

>  <CAS> (397)
15291-76-6

>  <URL> (397)
http://www.selleckchem.com/products/ginkgolide-c.html

$$$$
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csChFnd80/09132414022D

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400

>  <Formula> (398)
C7H6O4

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154.12014

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S3799

>  <Name> (398)
Gentisic acid

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 DHB; 2,5-dihydroxybenzoic acid; 5-Hydroxysalicylic acid; Gentianic acid; Carboxyhydroquinone

>  <Target> (398)
Immunology & Inflammation related

>  <Form> (398)
free base

>  <CAS> (398)
490-79-9

>  <URL> (398)
http://www.selleckchem.com/products/gentisic-acid.html

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csChFnd80/09132414022D

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401

>  <Formula> (399)
C27H34O11

>  <MolWeight> (399)
534.55226

>  <Cat> (399)
S3926

>  <Name> (399)
Forsythin

>  <Synonyms> (399)
Phillyrin

>  <Target> (399)
Others

>  <Form> (399)
free base

>  <CAS> (399)
487-41-2

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

$$$$
LY2109761.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (400)
402

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C26H27N5O2

>  <MolWeight> (400)
441.52488

>  <Cat> (400)
S2704

>  <Name> (400)
LY2109761

>  <Synonyms> (400)
N/A

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

>  <Form> (400)
Free Base

>  <CAS> (400)
700874-71-1 

>  <URL> (400)
http://www.selleckchem.com/products/ly2109761.html

$$$$
INCB28060.cdx
csChFnd80/09132414022D

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403

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C23H17FN6O

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>  <Name> (401)
Capmatinib (INCB28060)

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N/A

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c-Met 

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Free Base

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1029712-80-8

>  <URL> (401)
http://www.selleckchem.com/products/incb28060.html

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csChFnd80/09132414022D

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>  <Mol_ID> (407)
409

>  <Formula> (407)
C17H13BrN4O

>  <MolWeight> (407)
369.21532

>  <Cat> (407)
S7039

>  <Name> (407)
PD168393

>  <Synonyms> (407)
N/A

>  <Target> (407)
EGFR

>  <Form> (407)
Free Base

>  <CAS> (407)
194423-15-9

>  <URL> (407)
https://www.selleckchem.com/products/pd168393.html

$$$$
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csChFnd80/09132414022D

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>  <Mol_ID> (408)
410

>  <Formula> (408)
C19H24ClN9O

>  <MolWeight> (408)
429.90656

>  <Cat> (408)
S8032

>  <Name> (408)
PRT062607 (P505-15, PRT2607, BIIB057) HCl

>  <Synonyms> (408)
N/A

>  <Target> (408)
Syk

>  <Form> (408)
Hydrochloride

>  <CAS> (408)
1370261-97-4,1370261-96-3(free base)

>  <URL> (408)
https://www.selleckchem.com/products/prt062607-p505-15-hcl.html

$$$$
10058-F4.cdx
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>  <Mol_ID> (409)
411

>  <Formula> (409)
C12H11NOS2

>  <MolWeight> (409)
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10058-F4

>  <Synonyms> (409)
N/A

>  <Target> (409)
c-Myc

>  <Form> (409)
Free Base

>  <CAS> (409)
403811-55-2

>  <URL> (409)
https://www.selleckchem.com/products/10058-f4.html

$$$$
p276-00.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (410)
412

>  <Formula> (410)
C21H21Cl2NO5

>  <MolWeight> (410)
438.30114

>  <Cat> (410)
S8058

>  <Name> (410)
P276-00

>  <Synonyms> (410)
N/A

>  <Target> (410)
CDK

>  <Form> (410)
HCl

>  <CAS> (410)
920113-03-7

>  <URL> (410)
https://www.selleckchem.com/products/p276-00.html

$$$$
PP1.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (411)
413

>  <Formula> (411)
C16H19N5

>  <MolWeight> (411)
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>  <Cat> (411)
S7060

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PP1

>  <Synonyms> (411)
N/A

>  <Target> (411)
Src

>  <Form> (411)
Free Base

>  <CAS> (411)
172889-26-8

>  <URL> (411)
http://www.selleckchem.com/products/pp1.html

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>  <Synonyms> (415)
N/A

>  <Target> (415)
CDK

>  <Form> (415)
Free Base

>  <CAS> (415)
220036-08-8

>  <URL> (415)
http://www.selleckchem.com/products/nu6027.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (416)
418

>  <Formula> (416)
C18H32ClN3O8P2

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>  <Cat> (416)
S4157

>  <Name> (416)
Chloroquine Phosphate

>  <Synonyms> (416)
N/A

>  <Target> (416)
Others

>  <Form> (416)
Diphosphate

>  <CAS> (416)
50-63-5

>  <URL> (416)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
CNX-2006.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (417)
419

>  <Formula> (417)
C26H27F4N7O2

>  <MolWeight> (417)
545.5318928

>  <Cat> (417)
S7206

>  <Name> (417)
CNX-2006

>  <Synonyms> (417)
N/A

>  <Target> (417)
EGFR

>  <Form> (417)
Free Base

>  <CAS> (417)
1375465-09-0

>  <URL> (417)
http://www.selleckchem.com/products/cnx-2006.html

$$$$
GZD824.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (418)
420

>  <Formula> (418)
C31H35F3N6O7S2

>  <MolWeight> (418)
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>  <Cat> (418)
S7194

>  <Name> (418)
GZD824 Dimesylate 

>  <Synonyms> (418)
N/A

>  <Target> (418)
Bcr-Abl

>  <Form> (418)
Mesylate

>  <CAS> (418)
1421783-64-3

>  <URL> (418)
http://www.selleckchem.com/products/gzd824.html

$$$$
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>  <Target> (419)
ROCK

>  <Form> (419)
Free Base

>  <CAS> (419)
1342278-01-6

>  <URL> (419)
http://www.selleckchem.com/products/rki-1447.html

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>  <Formula> (420)
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>  <Synonyms> (420)
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>  <Target> (420)
ALK

>  <Form> (420)
Free Base

>  <CAS> (420)
1356962-20-3

>  <URL> (420)
http://www.selleckchem.com/products/azd3463.html

$$$$
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>  <Mol_ID> (421)
423

>  <Formula> (421)
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>  <MolWeight> (421)
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>  <Cat> (421)
S3924

>  <Name> (421)
Ginsenoside Rb1

>  <Synonyms> (421)
Gypenoside ¢ó

>  <Target> (421)
Others

>  <Form> (421)
free base

>  <CAS> (421)
41753-43-9

>  <URL> (421)
http://www.selleckchem.com/products/ginsenoside-rb1.html

$$$$
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csChFnd80/09132414022D

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    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> (422)
424

>  <Formula> (422)
C13H12N2O

>  <MolWeight> (422)
212.24718

>  <Cat> (422)
S3868

>  <Name> (422)
Harmine

>  <Synonyms> (422)
telepathine

>  <Target> (422)
PPAR¦Ã,MAO-A

>  <Form> (422)
free base

>  <CAS> (422)
442-51-3

>  <URL> (422)
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> (423)
425

>  <Formula> (423)
C8H11NO3

>  <MolWeight> (423)
169.17784

>  <Cat> (423)
S3980

>  <Name> (423)
Pyridoxine

>  <Synonyms> (423)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (423)
Others

>  <Form> (423)
free base

>  <CAS> (423)
65-23-6

>  <URL> (423)
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> (424)
426

>  <Formula> (424)
C10H14O2

>  <MolWeight> (424)
166.21696

>  <Cat> (424)
S4990

>  <Name> (424)
TBHQ

>  <Synonyms> (424)
Tert-butylhydroquinone

>  <Target> (424)
Nrf2

>  <Form> (424)
free base

>  <CAS> (424)
1948-33-0

>  <URL> (424)
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> (425)
427

>  <Formula> (425)
C18H16O7

>  <MolWeight> (425)
344.31544

>  <Cat> (425)
S4953

>  <Name> (425)
Usnic acid

>  <Synonyms> (425)
Usniacin

>  <Target> (425)
Others

>  <Form> (425)
free base

>  <CAS> (425)
125-46-2

>  <URL> (425)
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
    6.3209    3.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.3069    1.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9029    9.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074    0.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1909    4.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (426)
428

>  <Formula> (426)
C32H40O8

>  <MolWeight> (426)
552.6552

>  <Cat> (426)
S3832

>  <Name> (426)
Euphorbiasteroid

>  <Synonyms> (426)
Euphorbia factor L1

>  <Target> (426)
Others

>  <Form> (426)
free base

>  <CAS> (426)
28649-59-4

>  <URL> (426)
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> (427)
429

>  <Formula> (427)
C8H7NO

>  <MolWeight> (427)
133.14728

>  <Cat> (427)
S4861

>  <Name> (427)
Oxindole

>  <Synonyms> (427)
2-indolone, 2-Oxindole, Indolin-2-one

>  <Target> (427)
Others

>  <Form> (427)
free base

>  <CAS> (427)
59-48-3

>  <URL> (427)
http://selleckchem.com/products/oxindole.html

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/09132414022D

 16 17  0  0  0  0  0  0  0  0999 V2000
    8.6046    2.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4268    1.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2720    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (428)
430

>  <Formula> (428)
C10H13N5O

>  <MolWeight> (428)
219.24312

>  <Cat> (428)
S4884

>  <Name> (428)
Trans-Zeatin

>  <Synonyms> (428)
(E)-Zeatin

>  <Target> (428)
Others

>  <CAS> (428)
1637-39-4

>  <URL> (428)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4959 Skatole.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (429)
431

>  <Formula> (429)
C9H9N

>  <MolWeight> (429)
131.17446

>  <Cat> (429)
S4959

>  <Name> (429)
Skatole

>  <Synonyms> (429)
3-methylindole, Scatole

>  <Target> (429)
Anti-infection

>  <CAS> (429)
83-34-1

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

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (430)
432

>  <Formula> (430)
C47H80O18

>  <MolWeight> (430)
933.1273

>  <Cat> (430)
S3785

>  <Name> (430)
Notoginsenoside R1

>  <Synonyms> (430)
Sanchinoside R1

>  <Target> (430)
Others

>  <Form> (430)
free base

>  <CAS> (430)
80418-24-2

>  <URL> (430)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
GW 5074.cdx
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (431)
433

>  <Formula> (431)
C15H8Br2INO2

>  <MolWeight> (431)
520.94199

>  <Cat> (431)
S2872

>  <Name> (431)
GW5074

>  <Synonyms> (431)
N/A

>  <Target> (431)
Raf

>  <Form> (431)
free base

>  <CAS> (431)
220904-83-6

>  <URL> (431)
http://selleckchem.com/products/gw5074.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/09132414022D

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   14.5240    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9489    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9489    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7364    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3695    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5820    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5820    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7364    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1033    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  9  1  1  0  0  0
 10  8  1  1  0  0  0
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 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  6  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
  6 33  1  6  0  0  0
  2 34  1  6  0  0  0
  3 35  1  6  0  0  0
 11 36  1  6  0  0  0
 13 37  1  6  0  0  0
 12 38  1  1  0  0  0
 19 39  1  0  0  0  0
 23 40  2  0  0  0  0
 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> (432)
434

>  <Formula> (432)
C29H36O15

>  <MolWeight> (432)
624.58714

>  <Cat> (432)
S2323

>  <Name> (432)
Methyl-Hesperidin

>  <Form> (432)
free base

>  <CAS> (432)
 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
    3.3272    3.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    5.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    5.6707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.3272    7.4035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7437    7.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9519    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2309    7.5316    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1677    8.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5552    8.4262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5934    9.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0536   10.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6650   10.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8162    9.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9771    8.8724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7283    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1283    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1283    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5283    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
 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
 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  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
 24 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (433)
435

>  <Formula> (433)
C19H19ClN6O4S3

>  <MolWeight> (433)
527.03996

>  <Cat> (433)
S1154

>  <Name> (433)
SNS-314 Mesylate

>  <Synonyms> (433)
N/A

>  <Target> (433)
Aurora Kinase

>  <Form> (433)
Mesylate

>  <CAS> (433)
1146618-41-8

>  <URL> (433)
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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    2.4211    4.8930    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2423    2.7969    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4401    0.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7749    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2423    4.2112    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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> (434)
436

>  <Formula> (434)
C21H18O12

>  <MolWeight> (434)
462.36042

>  <Cat> (434)
S3810

>  <Name> (434)
Scutellarin

>  <Synonyms> (434)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (434)
Others

>  <Form> (434)
free base

>  <CAS> (434)
27740-01-8

>  <URL> (434)
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
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
   12.1033    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    7.2578    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    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
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    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    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  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
 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
 27 29  2  0  0  0  0
 25 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 25  1  0  0  0  0
M  END
>  <Mol_ID> (435)
437

>  <Formula> (435)
C24H25ClFN5O3

>  <MolWeight> (435)
485.9384032

>  <Cat> (435)
S1019

>  <Name> (435)
CI-1033 (Canertinib)

>  <Synonyms> (435)
PD-183805 

>  <Target> (435)
EGFR, HER2

>  <Form> (435)
Free Base

>  <CAS> (435)
267243-28-7

>  <URL> (435)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
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438

>  <Formula> (436)
C31H42N6O4

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S1043

>  <Name> (436)
Tandutinib (MLN518)

>  <Synonyms> (436)
CT53518

>  <Target> (436)
Flt

>  <Form> (436)
Free Base

>  <CAS> (436)
387867-13-2

>  <URL> (436)
http://www.selleckchem.com/products/Tandutinib-(MLN518).html

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untitled.cdx
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439

>  <Formula> (437)
C22H24BrFN4O2

>  <MolWeight> (437)
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>  <Cat> (437)
S1046

>  <Name> (437)
Vandetanib (ZD6474)

>  <Synonyms> (437)
N/A

>  <Target> (437)
VEGFR

>  <Form> (437)
Free Base

>  <CAS> (437)
443913-73-3

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

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Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (438)
N/A

>  <Target> (438)
Akt

>  <Form> (438)
Free Base

>  <CAS> (438)
58066-85-6

>  <URL> (438)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
NU7026.cdx
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DNA-PK

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>  <CAS> (439)
154447-35-5

>  <URL> (439)
http://www.selleckchem.com/products/nu7026.html

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>  <Mol_ID> (440)
442

>  <Formula> (440)
C22H26N2O2

>  <MolWeight> (440)
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>  <Cat> (440)
S2110

>  <Name> (440)
Vinpocetine (Cavinton)

>  <Synonyms> (440)
N/A

>  <Target> (440)
Sodium Channel

>  <Form> (440)
Free Base

>  <CAS> (440)
42971-09-5

>  <URL> (440)
http://www.selleckchem.com/products/vinpocetine-cavinton.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (441)
443

>  <Formula> (441)
C11H6F3NO2S

>  <MolWeight> (441)
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>  <Cat> (441)
S8005

>  <Name> (441)
SMI-4a

>  <Synonyms> (441)
N/A

>  <Target> (441)
Pim

>  <Form> (441)
Free Base

>  <CAS> (441)
438190-29-5

>  <URL> (441)
http://www.selleckchem.com/products/smi-4a.html

$$$$
VE-821.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (442)
444

>  <Formula> (442)
C18H16N4O3S

>  <MolWeight> (442)
368.40964

>  <Cat> (442)
S8007

>  <Name> (442)
VE-821

>  <Synonyms> (442)
N/A

>  <Target> (442)
ATM/ATR

>  <Form> (442)
Free Base

>  <CAS> (442)
1232410-49-9

>  <URL> (442)
http://www.selleckchem.com/products/ve-821.html

$$$$
GSK2636771.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (443)
445

>  <Formula> (443)
C22H22F3N3O3

>  <MolWeight> (443)
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S8002

>  <Name> (443)
GSK2636771

>  <Synonyms> (443)
N/A

>  <Target> (443)
PI3K

>  <Form> (443)
Free Base

>  <CAS> (443)
1372540-25-4

>  <URL> (443)
http://www.selleckchem.com/products/gsk2636771.html

$$$$
PQ 401.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (444)
446

>  <Formula> (444)
C18H16ClN3O2

>  <MolWeight> (444)
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>  <Cat> (444)
S8003

>  <Name> (444)
PQ 401

>  <Synonyms> (444)
N/A

>  <Target> (444)
IGF-1R

>  <Form> (444)
Free Base

>  <CAS> (444)
196868-63-0

>  <URL> (444)
http://www.selleckchem.com/products/pq-401.html

$$$$
AG 18.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (449)
451

>  <Formula> (449)
C21H25ClN6O2

>  <MolWeight> (449)
428.9152

>  <Cat> (449)
S8019

>  <Name> (449)
AZD5363

>  <Synonyms> (449)
N/A

>  <Target> (449)
Akt

>  <Form> (449)
Free Base

>  <CAS> (449)
1143532-39-1

>  <URL> (449)
http://www.selleckchem.com/products/azd5363.html

$$$$
AG-1296.cdx
csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (450)
452

>  <Formula> (450)
C16H14N2O2

>  <MolWeight> (450)
266.29456

>  <Cat> (450)
S8024

>  <Name> (450)
Tyrphostin AG 1296 (AG 1296)

>  <Synonyms> (450)
N/A

>  <Target> (450)
PDGFR

>  <Form> (450)
Free Base

>  <CAS> (450)
146535-11-7

>  <URL> (450)
http://www.selleckchem.com/products/tyrphostin-ag-1296-ag-1296.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (451)
453

>  <Formula> (451)
C18H20N2O4S

>  <MolWeight> (451)
360.4274

>  <Cat> (451)
S8023

>  <Name> (451)
TCS 359

>  <Synonyms> (451)
N/A

>  <Target> (451)
FLT3

>  <Form> (451)
Free Base

>  <CAS> (451)
301305-73-7

>  <URL> (451)
http://www.selleckchem.com/products/tcs-359.html

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

  7  4  0  0  0  0  0  0  0  0999 V2000
    3.8538    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
M  END
>  <Mol_ID> (452)
454

>  <Formula> (452)
FNa2O3P

>  <MolWeight> (452)
143.9499042

>  <Cat> (452)
S4013

>  <Name> (452)
Sodium Monofluorophosphate

>  <Synonyms> (452)
Sodium Fluorophosphate

>  <Target> (452)
Others
phosphatase

>  <Form> (452)
Disodium salt

>  <CAS> (452)
10163-15-2

>  <URL> (452)
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> (453)
455

>  <Formula> (453)
C22H17ClN6O

>  <MolWeight> (453)
416.86298

>  <Cat> (453)
S7028

>  <Name> (453)
Duvelisib (IPI-145, INK1197)

>  <Synonyms> (453)
N/A

>  <Target> (453)
PI3K

>  <Form> (453)
Free Base

>  <CAS> (453)
1201438-56-3

>  <URL> (453)
http://www.selleckchem.com/products/ipi-145-ink1197.html

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

 18 20  0  0  0  0  0  0  0  0999 V2000
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 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (454)
456

>  <Formula> (454)
C13H13N3OS

>  <MolWeight> (454)
259.32682

>  <Cat> (454)
S8037

>  <Name> (454)
Necrostatin-1

>  <Synonyms> (454)
N/A

>  <Target> (454)
TNF-alpha

>  <Form> (454)
Free Base

>  <CAS> (454)
4311-88-0

>  <URL> (454)
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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457

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C8H5NO4S

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N/A

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STAT

>  <Form> (455)
Free Base

>  <CAS> (455)
19983-44-9

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

$$$$
GW2580.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (456)
458

>  <Formula> (456)
C20H22N4O3

>  <MolWeight> (456)
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S8042

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GW2580

>  <Synonyms> (456)
N/A

>  <Target> (456)
CSF-1R

>  <Form> (456)
Free Base

>  <CAS> (456)
870483-87-7

>  <URL> (456)
http://www.selleckchem.com/products/gw2580.html

$$$$
Butein.cdx
csChFnd80/09132414022D

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459

>  <Formula> (457)
C15H12O5

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272.25278

>  <Cat> (457)
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Butein

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N/A

>  <Target> (457)
EGFR

>  <Form> (457)
Free Base

>  <CAS> (457)
487-52-5

>  <URL> (457)
https://www.selleckchem.com/products/butein.html

$$$$
(-)-Blebbistatin.cdx
csChFnd80/09132414022D

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460

>  <Formula> (458)
C18H16N2O2

>  <MolWeight> (458)
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(-)-Blebbistatin

>  <Synonyms> (458)
N/A

>  <Target> (458)
ATPase

>  <Form> (458)
Free Base

>  <CAS> (458)
856925-71-8

>  <URL> (458)
https://www.selleckchem.com/products/blebbistatin.html

$$$$
GDC-0349.cdx
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>  <Formula> (459)
C24H32N6O3

>  <MolWeight> (459)
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>  <Cat> (459)
S8040

>  <Name> (459)
GDC-0349

>  <Synonyms> (459)
RG7603

>  <Target> (459)
mTOR

>  <Form> (459)
Free Base

>  <CAS> (459)
1207360-89-1

>  <URL> (459)
https://www.selleckchem.com/products/gdc-0349.html

$$$$
NVP-TAE684.cdx
csChFnd80/09132414022D

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489415-96-5

>  <URL> (461)
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1022150-57-7

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 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (463)
465

>  <Formula> (463)
C21H16N6O2S2

>  <MolWeight> (463)
448.52074

>  <Cat> (463)
S1118

>  <Name> (463)
XL147 analogue

>  <Synonyms> (463)
SAR245408

>  <Target> (463)
PI3K 

>  <Form> (463)
Free Base

>  <CAS> (463)
956958-53-5

>  <URL> (463)
http://www.selleckchem.com/products/XL147.html

$$$$
s1023.cdx
csChFnd80/09132414022D

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0409    5.5720    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  3  0  0  0  0
 21 28  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (464)
466

>  <Formula> (464)
C22H24ClN3O4

>  <MolWeight> (464)
429.89666

>  <Cat> (464)
S1023

>  <Name> (464)
Erlotinib(OSI-744)

>  <Synonyms> (464)
(CP358774, NSC 718781) HCl

>  <Target> (464)
EGFR

>  <Form> (464)
Hydrochloride

>  <CAS> (464)
183319-69-9

>  <URL> (464)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/09132414022D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.3676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    5.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    7.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    8.2003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6701    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    4.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7604    4.3181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1915    2.9912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5561    2.7012    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2579    1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9084    2.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9185    4.0535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1938    1.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2708    0.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6231    0.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6130    1.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2507    2.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8984    3.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2843    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2372    3.9529    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.8748    5.3052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5895    3.5906    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9888    1.1030    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  2 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 16  1  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (465)
467

>  <Formula> (465)
C16H15BrClN5O4S

>  <MolWeight> (465)
488.7434

>  <Cat> (465)
S1205

>  <Name> (465)
PIK-75 

>  <Synonyms> (465)
N/A

>  <Target> (465)
PI3K, DNA-PK

>  <Form> (465)
Hydrochloride

>  <CAS> (465)
372196-77-5

>  <URL> (465)
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
    1.2124    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    6.0622    2.8000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (466)
468

>  <Formula> (466)
C25H52NO4P

>  <MolWeight> (466)
461.658441

>  <Cat> (466)
S1037

>  <Name> (466)
Perifosine (KRX-0401)

>  <Synonyms> (466)
NSC639966

>  <Target> (466)
Akt

>  <Form> (466)
Free Base

>  <CAS> (466)
157716-52-4

>  <URL> (466)
http://www.selleckchem.com/products/Perifosine.html

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

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4951    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
    6.0580    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4976    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
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16  1  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  3 19  2  0  0  0  0
  9 20  1  0  0  0  0
  8 21  1  0  0  0  0
 12 22  2  0  0  0  0
M  END
>  <Mol_ID> (467)
469

>  <Formula> (467)
C14H6O8

>  <MolWeight> (467)
302.19264

>  <Cat> (467)
S1327

>  <Name> (467)
Ellagic acid

>  <Synonyms> (467)
N/A

>  <Target> (467)
Topoisomerases

>  <Form> (467)
Free Base

>  <CAS> (467)
476-66-4

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

$$$$
bms-707035.cdx
csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.6406    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8531    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4904    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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N/A

>  <Target> (468)
PI3K, mTOR

>  <Form> (468)
Free Base

>  <CAS> (468)
958852-01-2

>  <URL> (468)
http://www.selleckchem.com/products/GSK1059615.html

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LY2228820

>  <Synonyms> (469)
N/A

>  <Target> (469)
p38 MAPK

>  <Form> (469)
Dimesylate

>  <CAS> (469)
862507-23-1

>  <URL> (469)
http://www.selleckchem.com/products/LY2228820.html

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>  <MolWeight> (470)
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>  <Cat> (470)
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CCT129202

>  <Synonyms> (470)
N/A

>  <Target> (470)
Aurora Kinase

>  <Form> (470)
Free Base

>  <CAS> (470)
942947-93-5

>  <URL> (470)
http://www.selleckchem.com/products/CCT129202.html

$$$$
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>  <Cat> (471)
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>  <Name> (471)
Neratinib (HKI-272)

>  <Synonyms> (471)
N/A 

>  <Target> (471)
HER2, EGFR

>  <Form> (471)
Free Base

>  <CAS> (471)
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>  <URL> (471)
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Syk

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Sodium Salt

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1025687-58-4

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

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p38 MAPK 

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745833-23-2

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1197160-78-3

>  <URL> (474)
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (475)
477

>  <Formula> (475)
C6H13Cl2N7O3

>  <MolWeight> (475)
302.11852

>  <Cat> (475)
S2560

>  <Name> (475)
Amiloride hydrochloride dihydrate

>  <Synonyms> (475)
MK-870

>  <Target> (475)
Sodium Channel

>  <Form> (475)
hydrochloride & dihydrate

>  <CAS> (475)
17440-83-4

>  <URL> (475)
http://www.selleckchem.com/products/amilorida.html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/09132414022D

 30 35  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (476)
478

>  <Formula> (476)
C25H19NO3S

>  <MolWeight> (476)
413.48826

>  <Cat> (476)
S2638

>  <Name> (476)
NU7441(KU-57788)

>  <Synonyms> (476)
N/A 

>  <Target> (476)
DNA-PK, PI3K

>  <Form> (476)
Free Base

>  <CAS> (476)
503468-95-9 

>  <URL> (476)
http://www.selleckchem.com/products/nu7441.html

$$$$
SCH 900776.cdx
csChFnd80/09132414022D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.9324    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (477)
479

>  <Formula> (477)
C15H18BrN7

>  <MolWeight> (477)
376.25432

>  <Cat> (477)
S2735

>  <Name> (477)
MK-8776 (SCH 900776)

>  <Synonyms> (477)
N/A

>  <Target> (477)
CHK

>  <Form> (477)
Free Base

>  <CAS> (477)
891494-63-6

>  <URL> (477)
http://www.selleckchem.com/products/sch-900776.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/09132414022D

 36 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (478)
480

>  <Formula> (478)
C23H14Na2O11

>  <MolWeight> (478)
512.3302

>  <Cat> (478)
S1911

>  <Name> (478)
Disodium Cromoglycate

>  <Synonyms> (478)
Gynazole

>  <Target> (478)
Calcium Channel

>  <Form> (478)
Disodium Salt

>  <CAS> (478)
15826-37-6

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

$$$$
CCT137690.cdx
csChFnd80/09132414022D

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1095382-05-0

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

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418805-02-4

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Akt

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Free Base

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305834-79-1

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http://www.selleckchem.com/products/sc79.html

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1207293-36-4

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http://www.selleckchem.com/products/bi-847325.html

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>  <URL> (483)
http://www.selleckchem.com/products/az5104.html

$$$$
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>  <Synonyms> (484)
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LRRK2

>  <Form> (484)
Free Base

>  <CAS> (484)
1234480-84-2

>  <URL> (484)
http://www.selleckchem.com/products/lrrk2-in-1.html

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487

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C31H23F2N5O3

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N/A

>  <Target> (485)
c-Met

>  <Form> (485)
Free Base

>  <CAS> (485)
1221713-92-3

>  <URL> (485)
http://www.selleckchem.com/products/nps-1034.html

$$$$
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>  <Mol_ID> (486)
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>  <Formula> (486)
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>  <MolWeight> (486)
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>  <Cat> (486)
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>  <Name> (486)
KN-93 Phosphate

>  <Synonyms> (486)
N/A

>  <Target> (486)
CaMK

>  <Form> (486)
Free Base

>  <CAS> (486)
1188890-41-6

>  <URL> (486)
http://www.selleckchem.com/products/kn-93-phosphate.html

$$$$
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>  <URL> (489)
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sodium salt

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>  <URL> (490)
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PKA

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sodium salt

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76939-46-3

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

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1538604-68-0

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

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

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1226895-15-3

>  <URL> (494)
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497

>  <Formula> (495)
C5H6Na2O5

>  <MolWeight> (495)
192.07768

>  <Cat> (495)
S7873

>  <Name> (495)
Disodium (R)-2-Hydroxyglutarate

>  <Synonyms> (495)
N/A

>  <Target> (495)
Others

>  <Form> (495)
disodium salt

>  <CAS> (495)
103404-90-6

>  <URL> (495)
http://www.selleckchem.com/products/disodium-r-2-hydroxyglutarate.html

$$$$
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csChFnd80/09132414022D

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>  <Mol_ID> (496)
498

>  <Formula> (496)
C26H44NNaO6S

>  <MolWeight> (496)
521.68543

>  <Cat> (496)
S7896

>  <Name> (496)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (496)
N/A

>  <Target> (496)
Antifection

>  <Form> (496)
sodium salt

>  <CAS> (496)
35807-85-3

>  <URL> (496)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (497)
499

>  <Formula> (497)
C24H28N8O2

>  <MolWeight> (497)
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>  <Cat> (497)
S7103

>  <Name> (497)
GDC-0032

>  <Synonyms> (497)
RG7604

>  <Target> (497)
PI3K

>  <Form> (497)
Free Base

>  <CAS> (497)
1282512-48-4

>  <URL> (497)
http://www.selleckchem.com/products/gdc-0032.html

$$$$
ONO-4059.cdx
csChFnd80/09132414022D

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>  <Formula> (498)
C25H24N6O3

>  <MolWeight> (498)
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>  <Cat> (498)
S7877

>  <Name> (498)
ONO-4059

>  <Synonyms> (498)
ONO-WG-307

>  <Target> (498)
BTK

>  <Form> (498)
Free Base

>  <CAS> (498)
1351635-67-0

>  <URL> (498)
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1449685-96-4

>  <URL> (503)
http://www.selleckchem.com/products/ddr1-in-1.html

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VEGFR

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Free Base

>  <CAS> (504)
215543-92-3

>  <URL> (504)
http://www.selleckchem.com/products/su5402.html

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UNC-2025

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N/A

>  <Target> (505)
TAM Receptor

>  <Form> (505)
hydrochloride salt

>  <CAS> (505)
1429881-91-3

>  <URL> (505)
http://www.selleckchem.com/products/unc-2025.html

$$$$
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>  <CAS> (506)
1616632-77-9

>  <URL> (506)
http://www.selleck.cn/products/tic-10.html

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Akt

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612847-09-3

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667463-85-6

>  <URL> (508)
http://www.selleck.cn/products/bio-acetoxime.html

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1608125-21-8

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1609281-86-8

>  <URL> (510)
http://www.selleckchem.com/products/azd3264.html

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1876467-74-1(free base)

>  <URL> (511)
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
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (512)
514

>  <Formula> (512)
C6H13NO2

>  <MolWeight> (512)
131.17292

>  <Cat> (512)
S3753

>  <Name> (512)
L-Leucine

>  <Synonyms> (512)
(S)-Leucine, Leu

>  <Target> (512)
Others

>  <Form> (512)
free base

>  <CAS> (512)
61-90-5

>  <URL> (512)
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
    7.6114    3.8595    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6249    4.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
    9.4087    5.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9939    5.3011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8475    6.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4781    6.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.4810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1325    5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
 16 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 10 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 10  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (513)
515

>  <Formula> (513)
C17H15N9

>  <MolWeight> (513)
345.3613

>  <Cat> (513)
S7674

>  <Name> (513)
Savolitinib(AZD6094, HMPL-504)

>  <Synonyms> (513)
Volitinib

>  <Target> (513)
MET

>  <Form> (513)
free base

>  <CAS> (513)
1313725-88-0

>  <URL> (513)
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> (514)
516

>  <Formula> (514)
C14H27NaO5S

>  <MolWeight> (514)
330.41595

>  <Cat> (514)
S3801

>  <Name> (514)
Sodium Houttuyfonate

>  <Synonyms> (514)
N/A

>  <Target> (514)
Antifection

>  <Form> (514)
sodium salt

>  <CAS> (514)
1847-58-1

>  <URL> (514)
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
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  5  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
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 15 16  1  0  0  0  0
  1 17  1  1  0  0  0
  1 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (515)
517

>  <Formula> (515)
C18H24O

>  <MolWeight> (515)
256.38256

>  <Cat> (515)
S3813

>  <Name> (515)
Bakuchiol

>  <Synonyms> (515)
(S)-(+)-Bakuchiol

>  <Target> (515)
Immunology & Inflammation related

>  <Form> (515)
free base

>  <CAS> (515)
10309-37-2

>  <URL> (515)
http://www.selleckchem.com/products/bakuchiol.html

$$$$
AZD1080.cdx
csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.4207    9.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770    7.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999    8.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770    9.4945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3951    8.3619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6081    5.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  1  0  0  0  0
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 25 20  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Mol_ID> (516)
518

>  <Formula> (516)
C19H18N4O2

>  <MolWeight> (516)
334.37182

>  <Cat> (516)
S7145

>  <Name> (516)
AZD1080

>  <Synonyms> (516)
N/A

>  <Target> (516)
GSK-3

>  <Form> (516)
Free Base

>  <CAS> (516)
612487-72-6

>  <URL> (516)
http://www.selleckchem.com/products/azd1080.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
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    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1660    2.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (517)
519

>  <Formula> (517)
C15H11ClN2OS

>  <MolWeight> (517)
302.77864

>  <Cat> (517)
S7176

>  <Name> (517)
SKI II

>  <Synonyms> (517)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (517)
S1P Receptor

>  <Form> (517)
Free Base

>  <CAS> (517)
312636-16-1

>  <URL> (517)
http://www.selleckchem.com/products/ski-ii.html

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (518)
520

>  <Formula> (518)
C17H15BrF2N4O3

>  <MolWeight> (518)
441.2268064

>  <Cat> (518)
S7007

>  <Name> (518)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (518)
N/A

>  <Target> (518)
MEK

>  <Form> (518)
Free Base

>  <CAS> (518)
606143-89-9

>  <URL> (518)
http://www.selleckchem.com/products/mek162.html

$$$$
GSK2334470.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (519)
521

>  <Formula> (519)
C25H34N8O

>  <MolWeight> (519)
462.59046

>  <Cat> (519)
S7087

>  <Name> (519)
GSK2334470

>  <Synonyms> (519)
N/A

>  <Target> (519)
PDK-1

>  <Form> (519)
Free Base

>  <CAS> (519)
1227911-45-6

>  <URL> (519)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (520)
522

>  <Formula> (520)
C24H26N4O

>  <MolWeight> (520)
386.48944

>  <Cat> (520)
S7127

>  <Name> (520)
TIC10 analogue

>  <Synonyms> (520)
TRAIL-inducing Compound 10

>  <Target> (520)
Akt

>  <Form> (520)
Free Base

>  <CAS> (520)
41276-02-2

>  <URL> (520)
http://www.selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (521)
523

>  <Formula> (521)
C16H10BrN3O2

>  <MolWeight> (521)
356.1735

>  <Cat> (521)
S7198

>  <Name> (521)
BIO

>  <Synonyms> (521)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (521)
GSK-3

>  <Form> (521)
Free Base

>  <CAS> (521)
667463-62-9

>  <URL> (521)
http://www.selleckchem.com/products/bio.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (522)
524

>  <Formula> (522)
C17H13N5

>  <MolWeight> (522)
287.31862

>  <Cat> (522)
S7223

>  <Name> (522)
RepSox

>  <Synonyms> (522)
E-616452, SJN 2511

>  <Target> (522)
TGF-beta/Smad

>  <Form> (522)
Free Base

>  <CAS> (522)
446859-33-2

>  <URL> (522)
http://www.selleckchem.com/products/repsox.html

$$$$
AZD2858.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (523)
525

>  <Formula> (523)
C21H23N7O3S

>  <MolWeight> (523)
453.51742

>  <Cat> (523)
S7253

>  <Name> (523)
AZD2858

>  <Synonyms> (523)
N/A

>  <Target> (523)
GSK-3

>  <Form> (523)
Free Base

>  <CAS> (523)
486424-20-8

>  <URL> (523)
http://www.selleckchem.com/products/azd2858.html

$$$$
ZM39923 HCl.cdx
csChFnd80/09132414022D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (524)
526

>  <Formula> (524)
C23H26ClNO

>  <MolWeight> (524)
367.91164

>  <Cat> (524)
S8004

>  <Name> (524)
ZM 39923 HCl

>  <Synonyms> (524)
N/A

>  <Target> (524)
JAK

>  <Form> (524)
HCl

>  <CAS> (524)
1021868-92-7

>  <URL> (524)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (525)
527

>  <Formula> (525)
C26H27N5O5S2

>  <MolWeight> (525)
553.65308

>  <Cat> (525)
S7207

>  <Name> (525)
Ro 31-8220 Mesylate

>  <Synonyms> (525)
Bisindolylmaleimide IX Mesylate

>  <Target> (525)
PKC

>  <Form> (525)
Mesylate

>  <CAS> (525)
138489-18-6

>  <URL> (525)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
Bardoxolone Methyl.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (526)
528

>  <Formula> (526)
C32H43NO4

>  <MolWeight> (526)
505.68812

>  <Cat> (526)
S8078

>  <Name> (526)
Bardoxolone Methyl

>  <Synonyms> (526)
RTA 402, TP-155, NSC 713200, CDDO Methyl Ester

>  <Target> (526)
I¦ÊB/IKK

>  <Form> (526)
Free Base

>  <CAS> (526)
218600-53-4

>  <URL> (526)
http://www.selleckchem.com/products/bardoxolone-methyl.html

$$$$
CZC24832.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (527)
529

>  <Formula> (527)
C15H17FN6O2S

>  <MolWeight> (527)
364.3978832

>  <Cat> (527)
S7018

>  <Name> (527)
CZC24832

>  <Synonyms> (527)
N/A

>  <Target> (527)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (527)
Free Base

>  <CAS> (527)
1159824-67-5

>  <URL> (527)
http://www.selleckchem.com/products/czc24832.html

$$$$
SRPIN340.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (528)
530

>  <Formula> (528)
C18H18F3N3O

>  <MolWeight> (528)
349.3502296

>  <Cat> (528)
S7270

>  <Name> (528)
SRPIN340

>  <Synonyms> (528)
N/A

>  <Target> (528)
Others

>  <Form> (528)
Free Base

>  <CAS> (528)
218156-96-8

>  <URL> (528)
http://www.selleckchem.com/products/srpin340.html

$$$$
ETP-46464.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (529)
531

>  <Formula> (529)
C30H22N4O2

>  <MolWeight> (529)
470.52128

>  <Cat> (529)
S8050

>  <Name> (529)
ETP-46464

>  <Synonyms> (529)
N/A

>  <Target> (529)
mTOR

>  <Form> (529)
Free Base

>  <CAS> (529)
1345675-02-6

>  <URL> (529)
http://www.selleckchem.com/products/etp-46464.html

$$$$
XL388.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (530)
532

>  <Formula> (530)
C23H22FN3O4S

>  <MolWeight> (530)
455.5018832

>  <Cat> (530)
S7035

>  <Name> (530)
XL388

>  <Synonyms> (530)
N/A

>  <Target> (530)
mTOR

>  <Form> (530)
Free Base

>  <CAS> (530)
1251156-08-7

>  <URL> (530)
http://www.selleckchem.com/products/xl388.html

$$$$
CO-1686(AVL-301).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (531)
533

>  <Formula> (531)
C27H28F3N7O3

>  <MolWeight> (531)
555.5515296

>  <Cat> (531)
S7284

>  <Name> (531)
Rociletinib (CO-1686, AVL-301)

>  <Synonyms> (531)
CNX-419, AVL-301

>  <Target> (531)
EGFR

>  <Form> (531)
Free Base

>  <CAS> (531)
1374640-70-6

>  <URL> (531)
http://www.selleckchem.com/products/co-1686.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (532)
534

>  <Formula> (532)
C24H27Cl2N5O

>  <MolWeight> (532)
472.41008

>  <Cat> (532)
S7306

>  <Name> (532)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (532)
BML-275,Compound C

>  <Target> (532)
AMPK

>  <Form> (532)
Dihydrochloride

>  <CAS> (532)
1219168-18-9

>  <URL> (532)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EHop-016.cdx
csChFnd80/09132414022D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (533)
535

>  <Formula> (533)
C25H30N6O

>  <MolWeight> (533)
430.5453

>  <Cat> (533)
S7319

>  <Name> (533)
EHop-016

>  <Synonyms> (533)
N/A

>  <Target> (533)
Rac

>  <Form> (533)
Free Base

>  <CAS> (533)
1380432-32-5

>  <URL> (533)
http://www.selleckchem.com/products/ehop-016.html

$$$$
Skepinone-L.cdx
csChFnd80/09132414022D

 31 34  0  0  0  0  0  0  0  0999 V2000
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AZ191

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N/A

>  <Target> (542)
DYRK

>  <Form> (542)
Free Base

>  <URL> (542)
http://www.selleckchem.com/products/az191.html

$$$$
Pacritinib (SB1518).cdx
csChFnd80/09132414022D

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545

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C28H32N4O3

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472.57868

>  <Cat> (543)
S8057

>  <Name> (543)
Pacritinib (SB1518)

>  <Synonyms> (543)
N/A

>  <Target> (543)
JAK

>  <Form> (543)
Free Base

>  <CAS> (543)
937272-79-2

>  <URL> (543)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
Sorafenib.cdx
csChFnd80/09132414022D

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C21H16ClF3N4O3

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S7397

>  <Name> (544)
Sorafenib

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BAY 43-9006

>  <Target> (544)
Raf

>  <Form> (544)
Free Base

>  <CAS> (544)
284461-73-0

>  <URL> (544)
http://www.selleckchem.com/products/sorafenib.html

$$$$
PF-562271.cdx
csChFnd80/09132414022D

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547

>  <Formula> (545)
C21H21ClF3N7O3S

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>  <Cat> (545)
S7357

>  <Name> (545)
PF-562271 HCl

>  <Synonyms> (545)
N/A

>  <Target> (545)
FAK

>  <Form> (545)
Hydrochloride

>  <URL> (545)
http://www.selleckchem.com/products/pf-562271-hcl.html

$$$$
TG003.cdx
csChFnd80/09132414022D

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N/A

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CDK

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Free Base

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300801-52-9

>  <URL> (546)
http://www.selleckchem.com/products/tg003.html

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549

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AMPK

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Free Base

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1214265-58-3

>  <URL> (547)
http://www.selleckchem.com/products/wz4003.html

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ID-8.cdx
csChFnd80/09132414022D

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N/A

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DYRK

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Free Base

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147591-46-6

>  <URL> (548)
http://www.selleckchem.com/products/id-8.html

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1097917-15-1

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M  END
>  <Mol_ID> (559)
561

>  <Formula> (559)
C18H12Cl2N4O4S

>  <MolWeight> (559)
451.28328

>  <Cat> (559)
S7369

>  <Name> (559)
4EGI-1

>  <Synonyms> (559)
N/A

>  <Target> (559)
Others

>  <Form> (559)
Free Base

>  <CAS> (559)
315706-13-9

>  <URL> (559)
http://www.selleckchem.com/products/4egi-1.html

$$$$
LEE011-2.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (560)
562

>  <Formula> (560)
C23H30N8O

>  <MolWeight> (560)
434.5373

>  <Cat> (560)
S7440

>  <Name> (560)
Ribociclib (LEE011)

>  <Synonyms> (560)
N/A

>  <Target> (560)
CDK

>  <Form> (560)
Free Base

>  <CAS> (560)
1211441-98-3

>  <URL> (560)
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> (561)
563

>  <Formula> (561)
C27H45IN2

>  <MolWeight> (561)
524.56407

>  <Cat> (561)
S7436

>  <Name> (561)
NH125

>  <Synonyms> (561)
N/A

>  <Target> (561)
CaMK

>  <Form> (561)
iodide

>  <CAS> (561)
278603-08-0

>  <URL> (561)
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> (562)
564

>  <Formula> (562)
C18H15Cl4N3OS

>  <MolWeight> (562)
463.2082

>  <Cat> (562)
S7437

>  <Name> (562)
Sal003

>  <Synonyms> (562)
N/A

>  <Target> (562)
phosphatase

>  <Form> (562)
Free Base

>  <CAS> (562)
1164470-53-4

>  <URL> (562)
http://www.selleckchem.com/products/sal003.html

$$$$
LDN193189 HCl.cdx
csChFnd80/09132414022D

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1062368-62-0

>  <URL> (563)
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VEGFR

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Free Base

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1225451-84-2

>  <URL> (564)
http://www.selleckchem.com/products/sklb1002.html

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>  <Target> (565)
GSK-3

>  <Form> (565)
Free Base

>  <CAS> (565)
676596-65-9

>  <URL> (565)
http://www.selleckchem.com/products/1-azakenpaullone.html

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328998-25-0

>  <URL> (566)
http://www.selleckchem.com/products/4e1rcat.html

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Free Base

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252017-04-2

>  <URL> (568)
http://www.selleckchem.com/products/azd7545.html

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ML167

>  <Synonyms> (569)
CID 44968231

>  <Target> (569)
CDK

>  <Form> (569)
Free Base

>  <CAS> (569)
1285702-20-6

>  <URL> (569)
http://www.selleckchem.com/products/ml167.html

$$$$
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csChFnd80/09132414022D

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572

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C22H16N4O

>  <MolWeight> (570)
352.38864

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>  <Name> (570)
ML347

>  <Synonyms> (570)
N/A

>  <Target> (570)
TGF-beta/Smad

>  <Form> (570)
Free Base

>  <CAS> (570)
1062368-49-3

>  <URL> (570)
http://www.selleckchem.com/products/ml347.html

$$$$
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573

>  <Formula> (571)
C23H21N7O

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>  <Synonyms> (571)
N/A

>  <Target> (571)
Syk

>  <Form> (571)
Free Base

>  <CAS> (571)
1229208-44-9

>  <URL> (571)
http://www.selleckchem.com/products/gs-9973.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/k-ras-g12c-inhibitor-6.html

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TGF-beta/Smad

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Free Base

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1206711-16-1

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BMP Inhibitor III

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TGF-beta/Smad

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Free Base

>  <CAS> (574)
1432597-26-6

>  <URL> (574)
http://www.selleckchem.com/products/ldn-212854.html

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522629-08-9

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http://www.selleckchem.com/products/cgp57380.html

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778277-15-9

>  <URL> (578)
http://www.selleckchem.com/products/gnf-5.html

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127191-97-3

>  <URL> (579)
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http://www.selleckchem.com/products/pfk15.html

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PI3K

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Free Base

>  <CAS> (581)
1276110-06-5

>  <URL> (581)
http://www.selleckchem.com/products/hs-173.html

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584

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C22H26FN3O2

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S7215

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Losmapimod

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GW856553X, GW856553, GSK-AHAB

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p38 MAPK

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585543-15-3

>  <URL> (582)
http://www.selleckchem.com/products/losmapimod.html

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585

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GNE-0877

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N/A

>  <Target> (583)
Others

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Free Base

>  <CAS> (583)
1374828-69-9

>  <URL> (583)
http://www.selleckchem.com/products/gne-0877.html

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UNC2881

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TAM Receptor

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>  <CAS> (584)
1493764-08-1

>  <URL> (584)
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M  END
>  <Mol_ID> (585)
587

>  <Formula> (585)
C27H31NO4S

>  <MolWeight> (585)
465.60434

>  <Cat> (585)
S7177

>  <Name> (585)
PF-543

>  <Synonyms> (585)
N/A

>  <Target> (585)
S1P Receptor

>  <Form> (585)
Free Base

>  <CAS> (585)
1415562-82-1

>  <URL> (585)
http://www.selleckchem.com/products/pf-543.html

$$$$
AZD1208.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (586)
588

>  <Formula> (586)
C21H21N3O2S

>  <MolWeight> (586)
379.47534

>  <Cat> (586)
S7104

>  <Name> (586)
AZD1208

>  <Synonyms> (586)
N/A

>  <Target> (586)
Pim

>  <Form> (586)
Free Base

>  <CAS> (586)
1204144-28-4

>  <URL> (586)
http://www.selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (587)
589

>  <Formula> (587)
C26H25Cl2N3O3

>  <MolWeight> (587)
498.401

>  <Cat> (587)
S7041

>  <Name> (587)
CX-6258 HCl

>  <Synonyms> (587)
N/A

>  <Target> (587)
Pim

>  <Form> (587)
Hydrochloride

>  <CAS> (587)
1353859-00-3

>  <URL> (587)
http://www.selleckchem.com/products/CX-6258.html

$$$$
EHT 1864.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (588)
590

>  <Formula> (588)
C25H29Cl2F3N2O4S

>  <MolWeight> (588)
581.4749696

>  <Cat> (588)
S7482

>  <Name> (588)
EHT 1864 2HCl

>  <Synonyms> (588)
N/A

>  <Target> (588)
Rho

>  <Form> (588)
Dihydrochloride

>  <CAS> (588)
754240-09-0

>  <URL> (588)
http://www.selleckchem.com/products/eht-1864.html

$$$$
EMD 1214063.cdx
csChFnd80/09132414022D

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c-Met

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1100598-32-0

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csChFnd80/09132414022D

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>  <Target> (590)
CDK

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Free Base

>  <CAS> (590)
1073485-20-7

>  <URL> (590)
http://www.selleckchem.com/products/ldc000067.html

$$$$
XMD8-92.cdx
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ERK

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1234480-50-2

>  <URL> (591)
http://www.selleckchem.com/products/xmd8-92.html

$$$$
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686770-61-6

>  <URL> (592)
http://www.selleckchem.com/products/iwp-2.html

$$$$
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>  <Mol_ID> (597)
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>  <Formula> (597)
C28H30F2N2O2

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N/A

>  <Target> (597)
STAT

>  <Form> (597)
Free Base

>  <CAS> (597)
1172133-28-6

>  <URL> (597)
http://www.selleckchem.com/products/ho-3867.html

$$$$
GNE7915.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (598)
600

>  <Formula> (598)
C19H21F4N5O3

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>  <Cat> (598)
S7528

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GNE-7915

>  <Synonyms> (598)
N/A

>  <Target> (598)
Others

>  <Form> (598)
Free Base

>  <CAS> (598)
1351761-44-8

>  <URL> (598)
http://www.selleckchem.com/products/gne-7915.html

$$$$
PD173955 .cdx
csChFnd80/09132414022D

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>  <Mol_ID> (599)
601

>  <Formula> (599)
C21H18Cl2N4OS

>  <MolWeight> (599)
445.36482

>  <Cat> (599)
S7269

>  <Name> (599)
PD173955

>  <Synonyms> (599)
N/A 

>  <Target> (599)
Bcr-Abl

>  <Form> (599)
Free Base

>  <CAS> (599)
260415-63-2

>  <URL> (599)
http://www.selleckchem.com/products/pd173955.html

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (600)
602

>  <Formula> (600)
C16H21ClIN3O4S

>  <MolWeight> (600)
513.77811

>  <Cat> (600)
S7332

>  <Name> (600)
K-Ras(G12C) inhibitor 9

>  <Synonyms> (600)
N/A

>  <Target> (600)
Rho

>  <Form> (600)
Free Base

>  <CAS> (600)
1469337-91-4

>  <URL> (600)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

$$$$
SH-4-54.cdx
csChFnd80/09132414022D

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>  <Form> (601)
Free Base

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1456632-40-8

>  <URL> (601)
http://www.selleckchem.com/products/sh-4-54.html

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>  <Synonyms> (602)
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mTOR

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Free Base

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221877-54-9

>  <URL> (602)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

$$$$
Go6976.cdx
csChFnd80/09132414022D

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136194-77-9

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http://www.selleckchem.com/products/go6976.html

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http://www.selleckchem.com/products/wh-4-023.html

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N/A

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PTEN

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Free Base

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345630-40-2

>  <URL> (605)
http://www.selleckchem.com/products/sf1670.html

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IM-12.cdx
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N/A

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GSK-3

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>  <CAS> (606)
1129669-05-1

>  <URL> (606)
http://www.selleckchem.com/products/im-12.html

$$$$
deltarasin.cdx
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1440898-61-2

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    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> (611)
613

>  <Formula> (611)
C21H23N5O3S

>  <MolWeight> (611)
425.50402

>  <Cat> (611)
S7605

>  <Name> (611)
Filgotinib£¨GLPG0643)

>  <Synonyms> (611)
N/A

>  <Target> (611)
JAK

>  <Form> (611)
Free Base

>  <CAS> (611)
1206161-97-8

>  <URL> (611)
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> (612)
614

>  <Formula> (612)
C15H17ClIN3O3

>  <MolWeight> (612)
449.67125

>  <Cat> (612)
S7331

>  <Name> (612)
K-Ras(G12C) inhibitor 12

>  <Synonyms> (612)
N/A

>  <Target> (612)
Rho

>  <Form> (612)
Free Base

>  <CAS> (612)
1469337-95-8

>  <URL> (612)
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> (613)
615

>  <Formula> (613)
C22H36O3

>  <MolWeight> (613)
348.51944

>  <Cat> (613)
S7582

>  <Name> (613)
Anacardic Acid

>  <Synonyms> (613)
6-pentadecylsalicylic Acid

>  <Target> (613)
Histone Acetyltransferase

>  <Form> (613)
Free Base

>  <CAS> (613)
16611-84-0

>  <URL> (613)
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> (614)
616

>  <Formula> (614)
C28H21F4N5O2

>  <MolWeight> (614)
535.4922528

>  <Cat> (614)
S7519

>  <Name> (614)
GNF-5837

>  <Synonyms> (614)
N/A

>  <Target> (614)
Trk receptor

>  <Form> (614)
Free Base

>  <CAS> (614)
1033769-28-6

>  <URL> (614)
http://www.selleckchem.com/products/gnf-5837.html

$$$$
WS6 .cdx
csChFnd80/09132414022D

 41 45  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    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    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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
    6.0622    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    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
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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625

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C27H35F2N7O3

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Ro5203280

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PLK

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Free Base

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1062243-51-9

>  <URL> (623)
http://www.selleckchem.com/products/ro3280.html

$$$$
LM-3146 BAY 11-7085.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (624)
626

>  <Formula> (624)
C13H15NO2S

>  <MolWeight> (624)
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>  <Cat> (624)
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Bay 11-7083

>  <Target> (624)
I¦ÊB/IKK

>  <Form> (624)
Free Base

>  <CAS> (624)
196309-76-9

>  <URL> (624)
http://www.selleckchem.com/products/bay-11-7085.html

$$$$
JNK Inhibitor IX.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (625)
627

>  <Formula> (625)
C20H16N2OS

>  <MolWeight> (625)
332.41884

>  <Cat> (625)
S7508

>  <Name> (625)
JNK inhibitor IX

>  <Synonyms> (625)
TCS JNK 5a

>  <Target> (625)
JNK

>  <Form> (625)
Free Base

>  <CAS> (625)
312917-14-9

>  <URL> (625)
http://www.selleckchem.com/products/jnk-inhibitor-ix.html

$$$$
WS3.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (626)
628

>  <Formula> (626)
C28H30F3N7O3

>  <MolWeight> (626)
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>  <Cat> (626)
S7441

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WS3

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N/A

>  <Target> (626)
I¦ÊB/IKK

>  <Form> (626)
Free Base

>  <CAS> (626)
1421227-52-2

>  <URL> (626)
http://www.selleckchem.com/products/ws3.html

$$$$
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csChFnd80/09132414022D

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521937-07-5

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ALK

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1454846-35-5

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http://www.selleckchem.com/products/pf-06463922.html

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no

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>  <URL> (631)
http://www.selleckchem.com/products/rbc8.html

$$$$
ML141.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (632)
634

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C22H21N3O3S

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S7686

>  <Name> (632)
ML141

>  <Synonyms> (632)
CID-2950007

>  <Target> (632)
Rho

>  <Form> (632)
Free Base

>  <CAS> (632)
71203-35-5

>  <URL> (632)
http://www.selleckchem.com/products/ml141.html

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/09132414022D

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635

>  <Formula> (633)
C22H22O8

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>  <Name> (633)
Picropodophyllin (PPP)

>  <Synonyms> (633)
AXL1717

>  <Target> (633)
IGF-1R

>  <Form> (633)
Free Base

>  <CAS> (633)
477-47-4

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

$$$$
Reversine.cdx
csChFnd80/09132414022D

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636

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C21H27N7O

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393.48538

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S7588

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Reversine

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N/A

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Adenosine Receptor

>  <Form> (634)
Free Base

>  <CAS> (634)
656820-32-5

>  <URL> (634)
http://www.selleckchem.com/products/reversine.html

$$$$
SU 9516.cdx
csChFnd80/09132414022D

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637

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C13H11N3O2

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SU9516

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N/A

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CDK

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Free Base

>  <CAS> (635)
377090-84-1

>  <URL> (635)
http://www.selleckchem.com/products/su9516.html

$$$$
Piperlongumine.cdx
csChFnd80/09132414022D

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1056901-62-2

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Defactinib (VS-6063, PF-04554878)

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FAK

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Free Base

>  <CAS> (640)
1073154-85-4

>  <URL> (640)
http://www.selleckchem.com/products/defactinib.html

$$$$
GSK2578215A.cdx
csChFnd80/09132414022D

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>  <Target> (641)
LRRK2

>  <Form> (641)
Free Base

>  <CAS> (641)
1285515-21-0

>  <URL> (641)
http://www.selleckchem.com/products/gsk2578215a.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/09132414022D

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>  <Name> (642)
Poziotinib (HM781-36B)

>  <Synonyms> (642)
NOV120101

>  <Target> (642)
EGFR

>  <Form> (642)
Free Base

>  <CAS> (642)
1092364-38-9

>  <URL> (642)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

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LY2584702.cdx
csChFnd80/09132414022D

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S6 Kinase

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Free Base

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1082949-67-4

>  <URL> (643)
http://www.selleckchem.com/products/ly2584702.html

$$$$
PI-3065.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (644)
646

>  <Formula> (644)
C27H31FN6OS

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S7623

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PI-3065

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N/A

>  <Target> (644)
PI3K

>  <Form> (644)
Free Base

>  <CAS> (644)
955977-50-1

>  <URL> (644)
http://www.selleckchem.com/products/pi-3065.html

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (645)
647

>  <Formula> (645)
C24H28Cl2N2O4

>  <MolWeight> (645)
479.39612

>  <Cat> (645)
S7720

>  <Name> (645)
SBE 13 HCl

>  <Synonyms> (645)
N/A

>  <Target> (645)
PLK

>  <Form> (645)
Hydrochloride

>  <CAS> (645)
1052532-15-6

>  <URL> (645)
http://www.selleckchem.com/products/sbe-13-hcl.html

$$$$
Bikinin.cdx
csChFnd80/09132414022D

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648

>  <Formula> (646)
C9H9BrN2O3

>  <MolWeight> (646)
273.08336

>  <Cat> (646)
S7722

>  <Name> (646)
Bikinin

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N/A

>  <Target> (646)
GSK-3

>  <Form> (646)
Free Base

>  <CAS> (646)
188011-69-0

>  <URL> (646)
http://www.selleckchem.com/products/bikinin.html

$$$$
Salirasib.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (647)
649

>  <Formula> (647)
C22H30O2S

>  <MolWeight> (647)
358.5374

>  <Cat> (647)
S7684

>  <Name> (647)
Salirasib

>  <Synonyms> (647)
N/A

>  <Target> (647)
Rho

>  <Form> (647)
Free Base

>  <CAS> (647)
162520-00-5

>  <URL> (647)
http://www.selleckchem.com/products/salirasib.html

$$$$
SD208.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (648)
650

>  <Formula> (648)
C17H10ClFN6

>  <MolWeight> (648)
352.7529032

>  <Cat> (648)
S7624

>  <Name> (648)
SD-208

>  <Synonyms> (648)
N/A

>  <Target> (648)
TGF-beta/Smad

>  <Form> (648)
Free Base

>  <CAS> (648)
627536-09-8

>  <URL> (648)
http://www.selleckchem.com/products/sd-208.html

$$$$
LFM-A13.cdx
csChFnd80/09132414022D

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BTK

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Free Base

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no

>  <URL> (653)
http://www.selleckchem.com/products/rn486.html

$$$$
Dovitinib Lactate.cdx
csChFnd80/09132414022D

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Dovitinib (TKI258) Lactate

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N/A

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FLT3

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Lactate

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915769-50-5

>  <URL> (654)
http://www.selleckchem.com/products/dovitinib-tki258-lactate.html

$$$$
BLZ945.cdx
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657

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N/A

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CSF-1R

>  <Form> (655)
Free Base

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953769-46-5

>  <URL> (655)
http://www.selleckchem.com/products/blz945.html

$$$$
LY2090314.cdx
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 16 12  2  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
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 19 20  1  0  0  0  0
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 23 24  1  0  0  0  0
  3 25  2  0  0  0  0
 25 12  1  0  0  0  0
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M  END
>  <Mol_ID> (661)
663

>  <Formula> (661)
C22H27FN4O2

>  <MolWeight> (661)
398.4737832

>  <Cat> (661)
S7781

>  <Name> (661)
Sunitinib

>  <Synonyms> (661)
SU11248

>  <Target> (661)
PDGFR

>  <Form> (661)
Free Base

>  <CAS> (661)
557795-19-4

>  <URL> (661)
http://www.selleckchem.com/products/sunitinib.html

$$$$
Erlotinib free Base.cdx
csChFnd80/09132414022D

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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
  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
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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  1 18  1  0  0  0  0
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 19 20  1  0  0  0  0
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  2 22  1  0  0  0  0
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M  END
>  <Mol_ID> (662)
664

>  <Formula> (662)
C22H23N3O4

>  <MolWeight> (662)
393.43572

>  <Cat> (662)
S7786

>  <Name> (662)
Erlotinib

>  <Synonyms> (662)
CP358774, NSC 718781

>  <Target> (662)
EGFR

>  <Form> (662)
Free Base

>  <CAS> (662)
183321-74-6

>  <URL> (662)
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
    9.6966    4.2000    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> (663)
665

>  <Formula> (663)
C18H13BrN4O

>  <MolWeight> (663)
381.22602

>  <Cat> (663)
S7557

>  <Name> (663)
CL-387785 (EKI-785)

>  <Synonyms> (663)
N/A

>  <Target> (663)
EGFR

>  <Form> (663)
Free Base

>  <CAS> (663)
194423-06-8

>  <URL> (663)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (664)
666

>  <Formula> (664)
C24H30ClN7O2

>  <MolWeight> (664)
483.9937

>  <Cat> (664)
S1116

>  <Name> (664)
PD 0332991 (Palbociclib) HCl

>  <Synonyms> (664)
N/A

>  <Target> (664)
CDK

>  <Form> (664)
Hydrochloride

>  <CAS> (664)
827022-32-2, 571190-30-2 (free base)

>  <URL> (664)
http://www.selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/09132414022D

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667

>  <Formula> (665)
C26H35N7O6S

>  <MolWeight> (665)
573.6644

>  <Cat> (665)
S1579

>  <Name> (665)
PD 0332991 (Palbociclib) Isethionate

>  <Synonyms> (665)
N/A

>  <Target> (665)
CDK

>  <Form> (665)
Isethionate

>  <CAS> (665)
827022-33-3, 571190-30-2(free base)

>  <URL> (665)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
STF-083010.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (666)
668

>  <Formula> (666)
C15H11NO3S2

>  <MolWeight> (666)
317.38274

>  <Cat> (666)
S7771

>  <Name> (666)
STF-083010

>  <Synonyms> (666)
N/A

>  <Target> (666)
Others

>  <Form> (666)
Free Base

>  <CAS> (666)
307543-71-1

>  <URL> (666)
http://www.selleckchem.com/products/stf-083010.html

$$$$
FRAX597.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (667)
669

>  <Formula> (667)
C29H28ClN7OS

>  <MolWeight> (667)
558.09692

>  <Cat> (667)
S7271

>  <Name> (667)
FRAX597

>  <Synonyms> (667)
N/A

>  <Target> (667)
PAK

>  <Form> (667)
Free Base

>  <CAS> (667)
1286739-19-2

>  <URL> (667)
http://www.selleckchem.com/products/frax597.html

$$$$
Ro-3306.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (668)
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>  <Formula> (668)
C18H13N3OS2

>  <MolWeight> (668)
351.44532

>  <Cat> (668)
S7747

>  <Name> (668)
Ro-3306

>  <Synonyms> (668)
N/A

>  <Target> (668)
CDK

>  <Form> (668)
Free Base

>  <CAS> (668)
872573-93-8

>  <URL> (668)
http://www.selleckchem.com/products/ro-3306.html

$$$$
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csChFnd80/09132414022D

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EGFR

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850140-73-7

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http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

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946518-60-1

>  <URL> (670)
http://www.selleckchem.com/products/ly2409881.html

$$$$
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Akt

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1047644-62-1

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N/A

>  <Target> (672)
PI3K

>  <Form> (672)
Free Base

>  <CAS> (672)
1394076-92-6

>  <URL> (672)
http://www.selleckchem.com/products/gne-317.html

$$$$
LDN-214117.cdx
csChFnd80/09132414022D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  8  1  0  0  0  0
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 19  7  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 13 26  1  0  0  0  0
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 11 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (673)
675

>  <Formula> (673)
C25H29N3O3

>  <MolWeight> (673)
419.51606

>  <Cat> (673)
S7627

>  <Name> (673)
LDN-214117

>  <Synonyms> (673)
N/A

>  <Target> (673)
TGF-beta/Smad

>  <Form> (673)
Free Base

>  <CAS> (673)
1627503-67-6

>  <URL> (673)
http://www.selleckchem.com/products/ldn-214117.html

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

 27 29  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
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  7 18  1  0  0  0  0
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 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (674)
676

>  <Formula> (674)
C19H25ClN6O

>  <MolWeight> (674)
388.8944

>  <Cat> (674)
S7793

>  <Name> (674)
Purvalanol A

>  <Synonyms> (674)
N/A

>  <Target> (674)
CDK

>  <Form> (674)
Free Base

>  <CAS> (674)
212844-53-6

>  <URL> (674)
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
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (675)
677

>  <Formula> (675)
C24H25N5O4

>  <MolWeight> (675)
447.4864

>  <Cat> (675)
S7003

>  <Name> (675)
AZD2932

>  <Synonyms> (675)
N/A

>  <Target> (675)
PDGFR

>  <Form> (675)
Free Base

>  <CAS> (675)
883986-34-3

>  <URL> (675)
http://www.selleckchem.com/products/azd2932.html

$$$$
Anisomycin.cdx
csChFnd80/09132414022D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 15 17  1  0  0  0  0
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M  END
>  <Mol_ID> (676)
678

>  <Formula> (676)
C14H19NO4

>  <MolWeight> (676)
265.30496

>  <Cat> (676)
S7409

>  <Name> (676)
Anisomycin

>  <Synonyms> (676)
Flagecidin 

>  <Target> (676)
JNK

>  <Form> (676)
Free Base

>  <CAS> (676)
22862-76-6

>  <URL> (676)
http://www.selleckchem.com/products/anisomycin.html

$$$$
MHY1485.cdx
csChFnd80/09132414022D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   10.8839    2.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (681)
683

>  <Formula> (681)
C25H25ClN6O4S

>  <MolWeight> (681)
541.0218

>  <Cat> (681)
S7645

>  <Name> (681)
Pilaralisib (XL147)

>  <Synonyms> (681)
N/A

>  <Target> (681)
PI3K

>  <Form> (681)
Free Base

>  <CAS> (681)
934526-89-3

>  <URL> (681)
http://www.selleckchem.com/products/pilaralisib-xl147.html

$$$$
AT7519 HCl.cdx
csChFnd80/09132414022D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (682)
684

>  <Formula> (682)
C16H18Cl3N5O2

>  <MolWeight> (682)
418.70542

>  <Cat> (682)
S7808

>  <Name> (682)
AT7519 HCl

>  <Synonyms> (682)
N/A

>  <Target> (682)
CDK

>  <Form> (682)
Hydrochloride

>  <CAS> (682)
902135-91-5

>  <URL> (682)
http://www.selleckchem.com/products/at7519-hcl.html

$$$$
ARRY-614.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (683)
685

>  <Formula> (683)
C31H33FN6O3

>  <MolWeight> (683)
556.6305232

>  <Cat> (683)
S7799

>  <Name> (683)
Pexmetinib (ARRY-614)

>  <Synonyms> (683)
N/A

>  <Target> (683)
p38 MAPK

>  <Form> (683)
Free Base

>  <CAS> (683)
945614-12-0

>  <URL> (683)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

$$$$
LY3009120.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (684)
686

>  <Formula> (684)
C23H29FN6O

>  <MolWeight> (684)
424.5143632

>  <Cat> (684)
S7842

>  <Name> (684)
LY3009120

>  <Synonyms> (684)
N/A

>  <Target> (684)
Raf

>  <Form> (684)
Free Base

>  <CAS> (684)
1454682-72-4

>  <URL> (684)
http://www.selleckchem.com/products/ly3009120.html

$$$$
HTH-01-015.cdx
csChFnd80/09132414022D

 35 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (685)
687

>  <Formula> (685)
C26H28N8O

>  <MolWeight> (685)
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>  <Cat> (685)
S7318

>  <Name> (685)
HTH-01-015

>  <Synonyms> (685)
N/A

>  <Target> (685)
AMPK

>  <Form> (685)
Free Base

>  <CAS> (685)
1613724-42-7

>  <URL> (685)
http://www.selleckchem.com/products/hth-01-015.html

$$$$
PLX3397.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (686)
688

>  <Formula> (686)
C20H15ClF3N5

>  <MolWeight> (686)
417.8148096

>  <Cat> (686)
S7818

>  <Name> (686)
Pexidartinib (PLX3397)

>  <Synonyms> (686)
N/A

>  <Target> (686)
CSF-1R

>  <Form> (686)
Free Base

>  <CAS> (686)
1029044-16-3

>  <URL> (686)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (687)
689

>  <Formula> (687)
C21H21F3IN3O2

>  <MolWeight> (687)
531.3100196

>  <Cat> (687)
S8041

>  <Name> (687)
Cobimetinib (GDC-0973, RG7420)

>  <Synonyms> (687)
XL518

>  <Target> (687)
MEK

>  <Form> (687)
Free Base

>  <CAS> (687)
934660-93-2

>  <URL> (687)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BVD-523.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (688)
690

>  <Formula> (688)
C21H22Cl2N4O2

>  <MolWeight> (688)
433.33098

>  <Cat> (688)
S7854

>  <Name> (688)
Ulixertinib (BVD-523, VRT752271)

>  <Synonyms> (688)
N/A

>  <Target> (688)
ERK

>  <Form> (688)
Free Base

>  <CAS> (688)
869886-67-9

>  <URL> (688)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
Dorsomorphin.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (689)
691

>  <Formula> (689)
C24H25N5O

>  <MolWeight> (689)
399.4882

>  <Cat> (689)
S7840

>  <Name> (689)
Dorsomorphin (Compound C)

>  <Synonyms> (689)
Compound C, BML-275

>  <Target> (689)
AMPK

>  <Form> (689)
Free Base

>  <CAS> (689)
866405-64-3

>  <URL> (689)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$

csChFnd80/09132414022D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (690)
692

>  <Formula> (690)
C26H28N4O3

>  <MolWeight> (690)
444.52552

>  <Cat> (690)
S7921

>  <Name> (690)
DEL-22379

>  <Synonyms> (690)
N/A

>  <Target> (690)
ERK

>  <Form> (690)
Free Base

>  <CAS> (690)
181223-80-3

>  <URL> (690)
http://www.selleckchem.com/products/del-22379.html

$$$$
ASP015K.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (691)
693

>  <Formula> (691)
C18H22N4O2

>  <MolWeight> (691)
326.39288

>  <Cat> (691)
S7650

>  <Name> (691)
Peficitinib (ASP015K, JNJ-54781532)

>  <Synonyms> (691)
N/A

>  <Target> (691)
JAK

>  <Form> (691)
Free Base

>  <CAS> (691)
944118-01-8

>  <URL> (691)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
Entrectinib (RXDX-101, NMS-E628).cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (692)
694

>  <Formula> (692)
C31H34F2N6O2

>  <MolWeight> (692)
560.6374664

>  <Cat> (692)
S7998

>  <Name> (692)
Entrectinib (RXDX-101)

>  <Synonyms> (692)
NMS-E628

>  <Target> (692)
Trk receptor

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FGFR

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1633044-56-0

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LM-3334 VX-509.cdx
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JAK

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Free Base

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944842-54-0

>  <URL> (698)
http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
VX-11e (VTX-11e, Vertex-11e).cdx
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ERK

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EGFR

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Free Base

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1626387-80-1

>  <URL> (700)
http://www.selleckchem.com/products/azd3759.html

$$$$
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csChFnd80/09132414022D

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PI3K

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Free Base

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934493-76-2

>  <URL> (701)
http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

$$$$
PS-1145.cdx
csChFnd80/09132414022D

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704

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C17H11ClN4O

>  <MolWeight> (702)
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PS-1145

>  <Synonyms> (702)
N/A

>  <Target> (702)
I¦ÊB/IKK

>  <Form> (702)
Free base

>  <CAS> (702)
431898-65-6

>  <URL> (702)
http://www.selleckchem.com/products/ps-1145.html

$$$$
LJI308.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (703)
705

>  <Formula> (703)
C21H18F2N2O2

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>  <Cat> (703)
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LJI308

>  <Synonyms> (703)
N/A

>  <Target> (703)
S6 Kinase

>  <Form> (703)
Free Base

>  <CAS> (703)
1627709-94-7

>  <URL> (703)
http://www.selleckchem.com/products/lji308.html

$$$$
Radotinib (IY-5511).cdx
csChFnd80/09132414022D

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>  <Name> (704)
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>  <Synonyms> (704)
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>  <Target> (704)
Bcr-Abl

>  <Form> (704)
Free Base

>  <CAS> (704)
926037-48-1

>  <URL> (704)
http://www.selleckchem.com/products/radotinib.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (705)
707

>  <Formula> (705)
C15H23ClFN3O4S

>  <MolWeight> (705)
395.8772232

>  <Cat> (705)
S7995

>  <Name> (705)
Ripasudil (K-115)

>  <Synonyms> (705)
N/A

>  <Target> (705)
ROCK

>  <Form> (705)
Hydrochloride dihydrate

>  <CAS> (705)
887375-67-9

>  <URL> (705)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
K03861.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (706)
708

>  <Formula> (706)
C24H26F3N7O2

>  <MolWeight> (706)
501.5041496

>  <Cat> (706)
S8100

>  <Name> (706)
K03861

>  <Synonyms> (706)
N/A

>  <Target> (706)
CDK

>  <Form> (706)
Free Base

>  <CAS> (706)
853299-07-7

>  <URL> (706)
http://www.selleckchem.com/products/k03861.html

$$$$
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>  <Mol_ID> (707)
709

>  <Formula> (707)
C28H24F3N7O2

>  <MolWeight> (707)
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>  <Cat> (707)
S8140

>  <Name> (707)
GNF-7

>  <Synonyms> (707)
N/A

>  <Target> (707)
Bcr-Abl

>  <Form> (707)
Free Base

>  <CAS> (707)
839706-07-9

>  <URL> (707)
http://www.selleckchem.com/products/gnf-7.html

$$$$
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http://www.selleckchem.com/products/kd025-(slx-2119).html

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1198097-97-0

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

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mTOR

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1228013-30-6

>  <URL> (710)
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1627710-50-2

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1383716-33-3

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720

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C19H27N5O6S

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>  <Synonyms> (718)
PF-03394197

>  <Target> (718)
JAK

>  <Form> (718)
Free Base

>  <CAS> (718)
1640292-55-2

>  <URL> (718)
http://www.selleckchem.com/products/oclacitinib-maleate.html

$$$$
MLN2480.cdx
csChFnd80/09132414022D

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C17H12Cl2F3N7O2S

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BIIB-024

>  <Target> (719)
Raf

>  <Form> (719)
Free Base

>  <CAS> (719)
1096708-71-2

>  <URL> (719)
http://www.selleckchem.com/products/mln2480.html

$$$$
Acalabrutinib.cdx
csChFnd80/09132414022D

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722

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C26H23N7O2

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S8116

>  <Name> (720)
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N/A

>  <Target> (720)
BTK

>  <Form> (720)
Free Base

>  <CAS> (720)
1420477-60-6

>  <URL> (720)
http://www.selleckchem.com/products/acalabrutinib.html

$$$$
PIK-III.cdx
csChFnd80/09132414022D

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PIK-III

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VPS34-IN2

>  <Target> (721)
Autophagy

>  <Form> (721)
Free Base

>  <CAS> (721)
1383716-40-2

>  <URL> (721)
http://www.selleckchem.com/products/pik-iii.html

$$$$
PD0166285.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (726)
728

>  <Formula> (726)
C27H25F3N8O2

>  <MolWeight> (726)
550.5350096

>  <Cat> (726)
S7752

>  <Name> (726)
Pluripotin (SC1)

>  <Synonyms> (726)
N/A

>  <Target> (726)
ERK

>  <Form> (726)
Free Base

>  <CAS> (726)
839707-37-8

>  <URL> (726)
http://www.selleckchem.com/products/pluripotin-sc1.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (727)
729

>  <Formula> (727)
C22H20N4O

>  <MolWeight> (727)
356.4204

>  <Cat> (727)
S1058

>  <Name> (727)
BI-1347

>  <Synonyms> (727)
N/A

>  <Target> (727)
CDK

>  <Form> (727)
Free Base

>  <CAS> (727)
2163056-91-3

>  <URL> (727)
http://www.selleck.cn/products/bi-1347.html

$$$$
PLX7904.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (728)
730

>  <Formula> (728)
C24H22F2N6O3S

>  <MolWeight> (728)
512.5316864

>  <Cat> (728)
S7964

>  <Name> (728)
PLX7904

>  <Synonyms> (728)
PB04

>  <Target> (728)
Raf

>  <Form> (728)
Free Base

>  <CAS> (728)
1393465-84-3

>  <URL> (728)
http://www.selleckchem.com/products/plx7904.html

$$$$
Dihydrostreptomycin sulfate.cdx
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M  END
>  <Mol_ID> (729)
731

>  <Formula> (729)
C42H88N14O36S3

>  <MolWeight> (729)
1461.41532

>  <Cat> (729)
S4523

>  <Name> (729)
Dihydrostreptomycin sulfate

>  <Synonyms> (729)
N/A

>  <Target> (729)
Antifection

>  <Form> (729)
1.5Sulfate

>  <CAS> (729)
5490-27-7

>  <URL> (729)
http://www.selleckchem.com/products/dihydrostreptomycin-sulfate.html

$$$$
MRT68921.cdx
csChFnd80/09132414022D

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A   35
xHCl
M  END
>  <Mol_ID> (730)
732

>  <Formula> (730)
C26H36N6O2R

>  <MolWeight> (730)
464.60304

>  <Cat> (730)
S7948

>  <Name> (730)
MRT67307 HCl

>  <Synonyms> (730)
N/A

>  <Target> (730)
I¦ÊB/IKK

>  <Form> (730)
hydrochloride

>  <CAS> (730)
1190378-57-4 (free-base)

>  <URL> (730)
http://www.selleckchem.com/products/mrt67307.html

$$$$
MRT67307.cdx
csChFnd80/09132414022D

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A   33
XHCl
M  END
>  <Mol_ID> (731)
733

>  <Formula> (731)
C25H34N6OR

>  <MolWeight> (731)
434.57706

>  <Cat> (731)
S7949

>  <Name> (731)
MRT68921 HCl

>  <Synonyms> (731)
N/A

>  <Target> (731)
Autophagy

>  <Form> (731)
hydrochloride

>  <CAS> (731)
1190379-70-4 (free base)

>  <URL> (731)
http://www.selleckchem.com/products/mrt68921.html

$$$$
BI-78D3.cdx
csChFnd80/09132414022D

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739

>  <Formula> (737)
C19H13NO4

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S8289

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NQDI-1

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N/A

>  <Target> (737)
Caspase

>  <Form> (737)
Free Base

>  <CAS> (737)
175026-96-7

>  <URL> (737)
http://www.selleckchem.com/products/nqdi-1.html

$$$$
Kobe0065.cdx
csChFnd80/09132414022D

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740

>  <Formula> (738)
C15H11ClF3N5O4S

>  <MolWeight> (738)
449.7921496

>  <Cat> (738)
S8303

>  <Name> (738)
Kobe0065

>  <Synonyms> (738)
N/A

>  <Target> (738)
Rho

>  <Form> (738)
Free Base

>  <CAS> (738)
436133-68-5

>  <URL> (738)
http://www.selleckchem.com/products/kobe0065.html

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (739)
741

>  <Formula> (739)
C26H26N6O2S

>  <MolWeight> (739)
486.58864

>  <Cat> (739)
S8294

>  <Name> (739)
Olmutinib (HM61713, BI 1482694)

>  <Synonyms> (739)
BI 1482694, HM61713, HM71224

>  <Target> (739)
EGFR

>  <Form> (739)
Free Base

>  <CAS> (739)
1353550-13-6

>  <URL> (739)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
5-Iodotubercidin.cdx
csChFnd80/09132414022D

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M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (740)
742

>  <Formula> (740)
C11H13IN4O4

>  <MolWeight> (740)
392.14979

>  <Cat> (740)
S8314

>  <Name> (740)
5-Iodotubercidin

>  <Synonyms> (740)
NSC 113939, 5-ITu

>  <Target> (740)
Adenosine Receptor

>  <Form> (740)
Free Base

>  <CAS> (740)
24386-93-4

>  <URL> (740)
http://www.selleckchem.com/products/5-iodotubercidin.html

$$$$
S4690 Vitamin E.cdx
csChFnd80/09132414022D

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   18.2022    2.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6268    3.7408    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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  7 10  1  0  0  0  0
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 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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  7 31  1  1  0  0  0
M  END
>  <Mol_ID> (741)
743

>  <Formula> (741)
C29H50O2

>  <MolWeight> (741)
430.7061

>  <Cat> (741)
S4686

>  <Name> (741)
Vitamin E

>  <Synonyms> (741)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (741)
COX,VEGFR

>  <Form> (741)
Free Base

>  <CAS> (741)
21590

>  <URL> (741)
http://www.selleckchem.com/products/vitamin-e.html

$$$$
S4671 Cefradine.cdx
csChFnd80/09132414022D

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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
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  2 25  1  6  0  0  0
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  4  8  2  0  0  0  0
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  8 12  1  0  0  0  0
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 10 15  1  0  0  0  0
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 20 22  1  0  0  0  0
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 22 24  2  0  0  0  0
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M  END
>  <Mol_ID> (742)
744

>  <Formula> (742)
C16H19N3O4S

>  <MolWeight> (742)
349.40476

>  <Cat> (742)
S4671

>  <Name> (742)
Cefradine

>  <Synonyms> (742)
Cephradine, Sefril, Anspor, Cephradin, Velosef

>  <Target> (742)
Antifection

>  <Form> (742)
Free Base

>  <CAS> (742)
38821-53-3

>  <URL> (742)
http://www.selleckchem.com/products/cefradine.html

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/09132414022D

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    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
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 10  5  1  0  0  0  0
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  1 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (743)
745

>  <Formula> (743)
C15H10O4

>  <MolWeight> (743)
254.2375

>  <Cat> (743)
S8319

>  <Name> (743)
7,8-Dihydroxyflavone

>  <Synonyms> (743)
7,8-DHF

>  <Target> (743)
Trk receptor

>  <Form> (743)
Free Base

>  <CAS> (743)
38183-03-8

>  <URL> (743)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

$$$$
MLR-1023.cdx
csChFnd80/09132414022D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (744)
746

>  <Formula> (744)
C11H10N2O2

>  <MolWeight> (744)
202.2093

>  <Cat> (744)
S8321

>  <Name> (744)
MLR-1023

>  <Synonyms> (744)
Tolimidone, CP-26154

>  <Target> (744)
Others

>  <Form> (744)
Free Base

>  <CAS> (744)
41964-07-2

>  <URL> (744)
http://www.selleckchem.com/products/mlr-1023.html

$$$$
LY3023414.cdx
csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (745)
747

>  <Formula> (745)
C23H26N4O3

>  <MolWeight> (745)
406.47754

>  <Cat> (745)
S8322

>  <Name> (745)
LY3023414

>  <Synonyms> (745)
GTPL8918

>  <Target> (745)
Akt

>  <Form> (745)
Free Base

>  <CAS> (745)
1386874-06-1

>  <URL> (745)
http://www.selleckchem.com/products/ly3023414.html

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/09132414022D

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.0995    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (746)
748

>  <Formula> (746)
C24H24FN7O

>  <MolWeight> (746)
445.4920632

>  <Cat> (746)
S8292

>  <Name> (746)
Selonsertib (GS-4997)

>  <Synonyms> (746)
N/A

>  <Target> (746)
Caspase

>  <Form> (746)
Free Base

>  <CAS> (746)
1448428-04-3

>  <URL> (746)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

$$$$
LY333531.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (747)
749

>  <Formula> (747)
C28H29ClN4O3

>  <MolWeight> (747)
505.00786

>  <Cat> (747)
S7663

>  <Name> (747)
LY333531 HCl

>  <Synonyms> (747)
Ruboxistaurin

>  <Target> (747)
PKC

>  <Form> (747)
hydrochloride

>  <CAS> (747)
169939-93-9

>  <URL> (747)
http://www.selleckchem.com/products/ly333531.html

$$$$
FRAX486.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (748)
750

>  <Formula> (748)
C25H23Cl2FN6O

>  <MolWeight> (748)
513.3941232

>  <Cat> (748)
S7807

>  <Name> (748)
FRAX486

>  <Synonyms> (748)
N/A

>  <Target> (748)
PAK

>  <Form> (748)
Free Base

>  <CAS> (748)
1232030-35-1

>  <URL> (748)
http://www.selleckchem.com/products/frax486.html

$$$$
VO-Ohpic.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (749)
751

>  <Formula> (749)
C12H15N2O11V

>  <MolWeight> (749)
414.1958

>  <Cat> (749)
S8174

>  <Name> (749)
VO-Ohpic trihydrate

>  <Synonyms> (749)
N/A

>  <Target> (749)
Others

>  <Form> (749)
trihydrate

>  <CAS> (749)
476310-60-8

>  <URL> (749)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
EAI045.cdx
csChFnd80/09132414022D

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N/A

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EGFR

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Free Base

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1942114-09-1

>  <URL> (750)
http://www.selleckchem.com/products/eai045.html

$$$$
Shikonin.cdx
csChFnd80/09132414022D

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753

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C16H16O5

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288.29524

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S8279

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Shikonin

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N/A

>  <Target> (751)
Others

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Free Base

>  <CAS> (751)
517-89-5

>  <URL> (751)
http://www.selleckchem.com/products/shikonin.html

$$$$
AZD8835.cdx
csChFnd80/09132414022D

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754

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C22H31N9O3

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469.54004

>  <Cat> (752)
S7966

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AZD8835

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N/A

>  <Target> (752)
PI3K

>  <Form> (752)
Free Base

>  <CAS> (752)
1620576-64-8

>  <URL> (752)
http://www.selleckchem.com/products/azd8835.html

$$$$
Necrosulfonamide.cdx
csChFnd80/09132414022D

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755

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C18H15N5O6S2

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Necrosulfonamide

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N/A

>  <Target> (753)
Others

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Free Base

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1360614-48-7

>  <URL> (753)
http://www.selleckchem.com/products/necrosulfonamide.html

$$$$
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756

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C20H20Cl2N6O3

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BAY-61-3606

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N/A

>  <Target> (754)
Syk

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dihydrochloride

>  <CAS> (754)
648903-57-5

>  <URL> (754)
http://www.selleckchem.com/products/bay-61-3606.html

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>  <Mol_ID> (755)
757

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C21H24F3N7O2

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>  <Cat> (755)
S8358

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WNK463

>  <Synonyms> (755)
N/A

>  <Target> (755)
Others

>  <Form> (755)
Free Base

>  <CAS> (755)
2012607-27-9

>  <URL> (755)
http://www.selleckchem.com/products/wnk463.html

$$$$
LOXO-101.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (756)
758

>  <Formula> (756)
C21H24F2N6O6S

>  <MolWeight> (756)
526.5136664

>  <Cat> (756)
S7960

>  <Name> (756)
LOXO-101(sulfate)

>  <Synonyms> (756)
N/A

>  <Target> (756)
Trk receptor

>  <Form> (756)
sulfate

>  <CAS> (756)
1223405-08-0

>  <URL> (756)
http://www.selleckchem.com/products/loxo-101.html

$$$$
APS-2-79.cdx
csChFnd80/09132414022D

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759

>  <Formula> (757)
C23H22ClN3O3

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>  <Cat> (757)
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>  <Name> (757)
APS-2-79 HCl

>  <Synonyms> (757)
N/A

>  <Target> (757)
MEK

>  <Form> (757)
hydrochloride

>  <CAS> (757)
2002381-31-7

>  <URL> (757)
http://www.selleckchem.com/products/aps-2-79.html

$$$$
NSC228155.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (758)
760

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C11H6N4O4S

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NSC228155

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N/A

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EGFR

>  <Form> (758)
Free Base

>  <CAS> (758)
113104-25-9

>  <URL> (758)
http://www.selleckchem.com/products/nsc228155.html

$$$$
BMS-911543.cdx
csChFnd80/09132414022D

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761

>  <Formula> (759)
C23H28N8O

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>  <Name> (759)
BMS-911543

>  <Synonyms> (759)
N/A

>  <Target> (759)
JAK

>  <Form> (759)
Free Base

>  <CAS> (759)
1271022-90-2

>  <URL> (759)
http://www.selleckchem.com/products/bms-911543.html

$$$$
Deguelin.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (760)
762

>  <Formula> (760)
C23H22O6

>  <MolWeight> (760)
394.41718

>  <Cat> (760)
S8132

>  <Name> (760)
Deguelin

>  <Synonyms> (760)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (760)
Akt

>  <Form> (760)
Free Base

>  <CAS> (760)
522-17-8

>  <URL> (760)
http://www.selleckchem.com/products/deguelin.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (761)
763

>  <Formula> (761)
C22H15F3N4O2

>  <MolWeight> (761)
424.3753096

>  <Cat> (761)
S8189

>  <Name> (761)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (761)
N/A

>  <Target> (761)
VEGFR

>  <Form> (761)
Free Base

>  <CAS> (761)
861875-60-7

>  <URL> (761)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (762)
764

>  <Formula> (762)
C19H20F2N4O4

>  <MolWeight> (762)
406.3833064

>  <Cat> (762)
S8125

>  <Name> (762)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (762)
N/A

>  <Target> (762)
p38 MAPK

>  <Form> (762)
Free Base

>  <CAS> (762)
449811-01-2

>  <URL> (762)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
Alantolactone.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (763)
765

>  <Formula> (763)
C15H20O2

>  <MolWeight> (763)
232.3181

>  <Cat> (763)
S8318

>  <Name> (763)
Alantolactone

>  <Synonyms> (763)
helenin, helenine, Eupatal

>  <Target> (763)
Others

>  <Form> (763)
Free Base

>  <CAS> (763)
546-43-0

>  <URL> (763)
http://www.selleckchem.com/products/alantolactone.html

$$$$
OICR-9429.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (764)
766

>  <Formula> (764)
C29H32F3N5O3

>  <MolWeight> (764)
555.5912896

>  <Cat> (764)
S7833

>  <Name> (764)
OICR-9429

>  <Synonyms> (764)
N/A

>  <Target> (764)
Histone Methyltransferase

>  <Form> (764)
Free Base

>  <CAS> (764)
1801787-56-3

>  <URL> (764)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
BFH772.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (765)
767

>  <Formula> (765)
C23H16F3N3O3

>  <MolWeight> (765)
439.3866496

>  <Cat> (765)
S8188

>  <Name> (765)
BFH772

>  <Synonyms> (765)
BFH 772, BFH-772

>  <Target> (765)
VEGFR

>  <Form> (765)
Free Base

>  <CAS> (765)
890128-81-1

>  <URL> (765)
http://www.selleckchem.com/products/bfh772.html

$$$$
GSK269962.cdx
csChFnd80/09132414022D

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768

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C29H31ClN8O5

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GSK269962 HCl

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ROCK

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hydrochloride

>  <CAS> (766)
850664-21-0(free base)

>  <URL> (766)
http://www.selleckchem.com/products/gsk269962.html

$$$$
NT157.cdx
csChFnd80/09132414022D

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769

>  <Formula> (767)
C16H14BrNO5S

>  <MolWeight> (767)
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S8228

>  <Name> (767)
NT157

>  <Synonyms> (767)
N/A

>  <Target> (767)
IGF-1R

>  <Form> (767)
Free Base

>  <CAS> (767)
1384426-12-3

>  <URL> (767)
http://www.selleckchem.com/products/nt157.html

$$$$
RO9021.cdx
csChFnd80/09132414022D

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C18H25N7O

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RO9021

>  <Synonyms> (768)
N/A

>  <Target> (768)
Syk

>  <Form> (768)
Free Base

>  <CAS> (768)
1446790-62-0

>  <URL> (768)
http://www.selleckchem.com/products/ro9021.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/09132414022D

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>  <Cat> (769)
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>  <Name> (769)
ARRY-380 (ONT-380)

>  <Synonyms> (769)
Tucatinib

>  <Target> (769)
HER2

>  <Form> (769)
Free Base

>  <CAS> (769)
937263-43-9

>  <URL> (769)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
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>  <Synonyms> (770)
N/A

>  <Target> (770)
c-Met

>  <Form> (770)
Free Base

>  <CAS> (770)
1206799-15-6

>  <URL> (770)
http://www.selleckchem.com/products/ly2801653-merestinib.html

$$$$
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>  <Formula> (771)
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GDC-0084

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N/A

>  <Target> (771)
PI3K

>  <Form> (771)
Free Base

>  <CAS> (771)
1382979-44-3

>  <URL> (771)
http://www.selleckchem.com/products/gdc-0084.html

$$$$
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csChFnd80/09132414022D

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774

>  <Formula> (772)
C15H18ClIN2O2S

>  <MolWeight> (772)
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>  <Cat> (772)
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>  <Name> (772)
ML-7 HCl

>  <Synonyms> (772)
N/A

>  <Target> (772)
Others

>  <Form> (772)
hydrochloride

>  <CAS> (772)
110448-33-4

>  <URL> (772)
http://www.selleckchem.com/products/ml-7.html

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N/A

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DNA-PK

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Free Base

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1228013-15-7

>  <URL> (773)
http://www.selleckchem.com/products/cc-115.html

$$$$
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mTOR

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Free Base

>  <CAS> (774)
1429639-50-8

>  <URL> (774)
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> (775)
777

>  <Formula> (775)
C23H24N6O2

>  <MolWeight> (775)
416.47566

>  <Cat> (775)
S8273

>  <Name> (775)
XMD16-5

>  <Synonyms> (775)
N/A

>  <Target> (775)
ACK

>  <Form> (775)
Free Base

>  <CAS> (775)
1345098-78-3

>  <URL> (775)
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> (776)
778

>  <Formula> (776)
C24H27N7O2

>  <MolWeight> (776)
445.51688

>  <Cat> (776)
S8272

>  <Name> (776)
XMD8-87

>  <Synonyms> (776)
N/A

>  <Target> (776)
ACK

>  <Form> (776)
Free Base

>  <CAS> (776)
1234480-46-6

>  <URL> (776)
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
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M  END
>  <Mol_ID> (777)
779

>  <Formula> (777)
C25H30N6O2

>  <MolWeight> (777)
446.5447

>  <Cat> (777)
S8401

>  <Name> (777)
JNJ-42756493 (Erdafitinib)

>  <Synonyms> (777)
N/A

>  <Target> (777)
FGFR

>  <Form> (777)
Free Base

>  <CAS> (777)
1346242-81-6

>  <URL> (777)
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> (778)
780

>  <Formula> (778)
C16H18Cl2N4O

>  <MolWeight> (778)
353.24632

>  <Cat> (778)
S7935

>  <Name> (778)
Y-39983 HCl

>  <Synonyms> (778)
Y-33075 HCl

>  <Target> (778)
ROCK

>  <Form> (778)
dihydrochloride

>  <CAS> (778)
173897-44-4

>  <URL> (778)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (779)
781

>  <Formula> (779)
C21H20N2O3S

>  <MolWeight> (779)
380.4601

>  <Cat> (779)
S8448

>  <Name> (779)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (779)
N/A

>  <Target> (779)
ROCK

>  <Form> (779)
Free Base

>  <CAS> (779)
557782-81-7

>  <URL> (779)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
STO-609.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (780)
782

>  <Formula> (780)
C19H10N2O3

>  <MolWeight> (780)
314.2943

>  <Cat> (780)
S8274

>  <Name> (780)
STO-609

>  <Synonyms> (780)
N/A

>  <Target> (780)
CaMK

>  <Form> (780)
Free Base

>  <CAS> (780)
52029-86-4

>  <URL> (780)
http://www.selleckchem.com/products/sto-609.html

$$$$
NSC12.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (781)
783

>  <Formula> (781)
C24H34F6O3

>  <MolWeight> (781)
484.5153792

>  <Cat> (781)
S7940

>  <Name> (781)
NSC12

>  <Synonyms> (781)
NSC 172285

>  <Target> (781)
FGFR

>  <Form> (781)
Free Base

>  <CAS> (781)
102586-30-1

>  <URL> (781)
http://www.selleckchem.com/products/nsc12.html

$$$$
THZ1.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (782)
784

>  <Formula> (782)
C31H30Cl3N7O2

>  <MolWeight> (782)
638.9746

>  <Cat> (782)
S7549

>  <Name> (782)
THZ1 2HCl

>  <Synonyms> (782)
N/A

>  <Target> (782)
CDK

>  <Form> (782)
dihydrochloride

>  <CAS> (782)
1604810-83-4(free base)

>  <URL> (782)
http://www.selleckchem.com/products/thz1.html

$$$$
GSK2269557.cdx
csChFnd80/09132414022D

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Nemiralisib

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PI3K

>  <Form> (783)
Free Base

>  <CAS> (783)
1254036-71-9

>  <URL> (783)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
S4740 Ferulic acid (sodium).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (784)
786

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C10H9NaO4

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S4740

>  <Name> (784)
Sodium ferulate

>  <Synonyms> (784)
Ferulic acid sodium salt

>  <Target> (784)
Thrombin

>  <Form> (784)
Sodium salt

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24276-84-4

>  <URL> (784)
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> (785)
S8404

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S49076

>  <Synonyms> (785)
N/A

>  <Target> (785)
c-Met  & FGFR

>  <Form> (785)
Free Base

>  <CAS> (785)
1265965-22-7

>  <URL> (785)
http://www.selleckchem.com/products/s49076.html

$$$$
GSK583.cdx
csChFnd80/09132414022D

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788

>  <Formula> (786)
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>  <Cat> (786)
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GSK583

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>  <Target> (786)
NF-¦ÊB

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Free Base

>  <CAS> (786)
1346547-00-9

>  <URL> (786)
http://www.selleckchem.com/products/gsk583.html

$$$$
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 33 16  1  0  0  0  0
M  END
>  <Mol_ID> (787)
789

>  <Formula> (787)
C27H25ClN6

>  <MolWeight> (787)
468.9806

>  <Cat> (787)
S8339

>  <Name> (787)
Miransertib (ARQ 092)HCl

>  <Synonyms> (787)
Miransertib

>  <Target> (787)
Akt

>  <Form> (787)
hydrochloride

>  <CAS> (787)
1313883-00-9

>  <URL> (787)
http://www.selleckchem.com/products/arq-092.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (788)
790

>  <Formula> (788)
C21H25N7O

>  <MolWeight> (788)
391.4695

>  <Cat> (788)
S8456

>  <Name> (788)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (788)
N/A

>  <Target> (788)
PI3K

>  <Form> (788)
Free Base

>  <CAS> (788)
1383716-46-8

>  <URL> (788)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
BP-1-102.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (789)
791

>  <Formula> (789)
C29H27F5N2O6S

>  <MolWeight> (789)
626.591496

>  <Cat> (789)
S7769

>  <Name> (789)
BP-1-102

>  <Synonyms> (789)
N/A

>  <Target> (789)
STAT

>  <Form> (789)
Free Base

>  <CAS> (789)
1334493-07-0

>  <URL> (789)
http://www.selleckchem.com/products/bp-1-102.html

$$$$
OTS514.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (790)
792

>  <Formula> (790)
C21H21ClN2O2S

>  <MolWeight> (790)
400.92164

>  <Cat> (790)
S7652

>  <Name> (790)
OTS514 hydrochloride

>  <Synonyms> (790)
N/A

>  <Target> (790)
TOPK

>  <Form> (790)
hydrochloride

>  <CAS> (790)
1338540-63-8(free base)

>  <URL> (790)
http://www.selleckchem.com/products/ots514.html

$$$$
SAR-020106.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (791)
793

>  <Formula> (791)
C19H19ClN6O

>  <MolWeight> (791)
382.84676

>  <Cat> (791)
S7740

>  <Name> (791)
SAR-020106

>  <Synonyms> (791)
N/A

>  <Target> (791)
Chk

>  <Form> (791)
Free Base

>  <CAS> (791)
1184843-57-9

>  <URL> (791)
http://www.selleckchem.com/products/sar-020106.html

$$$$
S8275-eFT-508.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (792)
794

>  <Formula> (792)
C17H20N6O2

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eFT-508 (eFT508)

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N/A

>  <Target> (792)
MNK

>  <Form> (792)
Free Base

>  <CAS> (792)
1849590-01-7

>  <URL> (792)
http://www.selleckchem.com/products/eft-508.html

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/09132414022D

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795

>  <Formula> (793)
C14H17Cl2N5O4S

>  <MolWeight> (793)
422.28688

>  <Cat> (793)
S8457

>  <Name> (793)
UK-371804 HCl

>  <Synonyms> (793)
UK-371804 HCl

>  <Target> (793)
Serine Protease

>  <Form> (793)
hydrochloride

>  <CAS> (793)
256476-36-5

>  <URL> (793)
http://www.selleckchem.com/products/uk-371804-hcl.html

$$$$
S7743-CCT196969.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (794)
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>  <Formula> (794)
C27H24FN7O3

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CCT196969

>  <Synonyms> (794)
N/A

>  <Target> (794)
Raf

>  <Form> (794)
Free Base

>  <CAS> (794)
1163719-56-9

>  <URL> (794)
http://www.selleckchem.com/products/cct196969.html

$$$$
LY2857785.cdx
csChFnd80/09132414022D

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>  <Target> (795)
CDK

>  <Form> (795)
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1619903-54-6

>  <URL> (795)
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http://www.selleckchem.com/products/bay-1217389.html

$$$$
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$$$$
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801

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C23H28N8O

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LDC4297 (LDC044297)

>  <Synonyms> (799)
N/A

>  <Target> (799)
CDK

>  <Form> (799)
Free Base

>  <CAS> (799)
1453834-21-3

>  <URL> (799)
http://www.selleckchem.com/products/ldc4297-ldc044297.html

$$$$
ONO-4059 (GS-4059).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (800)
802

>  <Formula> (800)
C25H23ClN6O3

>  <MolWeight> (800)
490.94152

>  <Cat> (800)
S8166

>  <Name> (800)
ONO-4059 (GS-4059) hydrochloride

>  <Synonyms> (800)
N/A

>  <Target> (800)
BTK

>  <Form> (800)
hydrochloride

>  <CAS> (800)
1439901-97-9

>  <URL> (800)
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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M  END
>  <Mol_ID> (801)
803

>  <Formula> (801)
C19H15N3O2

>  <MolWeight> (801)
317.3413

>  <Cat> (801)
S7954

>  <Name> (801)
CP21R7 (CP21)

>  <Synonyms> (801)
N/A

>  <Target> (801)
Wnt/beta-catenin

>  <Form> (801)
Free Base

>  <CAS> (801)
125314-13-8

>  <URL> (801)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/09132414022D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (802)
804

>  <Formula> (802)
C15H18O2

>  <MolWeight> (802)
230.30222

>  <Cat> (802)
S8291

>  <Name> (802)
Atractylenolide I

>  <Synonyms> (802)
N/A

>  <Target> (802)
Immunology & Inflammation related

>  <Form> (802)
Free Base

>  <CAS> (802)
73069-13-3
73069-13-3

>  <URL> (802)
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> (803)
805

>  <Formula> (803)
C14H18ClN3O3RS

>  <MolWeight> (803)
343.82902

>  <Cat> (803)
S8208

>  <Name> (803)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (803)
N/A

>  <Target> (803)
ROCK

>  <Form> (803)
hydrochloride

>  <CAS> (803)
155558-32-0 (HCl salt)

>  <URL> (803)
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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>  <Mol_ID> (804)
806

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C21H18F3N5O

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413.3957296

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S2931

>  <Name> (804)
Aurora Kinase Inhibitor III

>  <Synonyms> (804)
N/A

>  <Target> (804)
Aurora Kinase

>  <Form> (804)
Free Base

>  <CAS> (804)
879127-16-9

>  <URL> (804)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

$$$$
SUN11602.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (805)
807

>  <Formula> (805)
C26H37N5O2

>  <MolWeight> (805)
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>  <Cat> (805)
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>  <Name> (805)
SUN11602

>  <Synonyms> (805)
N/A

>  <Target> (805)
FGFR

>  <Form> (805)
Free Base

>  <CAS> (805)
704869-38-5

>  <URL> (805)
http://www.selleckchem.com/products/sun11602.html

$$$$
TGR-1202.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (806)
808

>  <Formula> (806)
C31H24F3N5O3

>  <MolWeight> (806)
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>  <Cat> (806)
S8194

>  <Name> (806)
TGR-1202

>  <Synonyms> (806)
Rp-5264

>  <Target> (806)
PI3K

>  <Form> (806)
Free Base

>  <CAS> (806)
1532533-67-7

>  <URL> (806)
http://www.selleckchem.com/products/tgr-1202.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (807)
809

>  <Formula> (807)
C26H31ClN6O2

>  <MolWeight> (807)
495.01634

>  <Cat> (807)
S7824

>  <Name> (807)
Nazartinib (EGF816, NVS-816)

>  <Synonyms> (807)
N/A

>  <Target> (807)
EGFR

>  <Form> (807)
Free Base

>  <CAS> (807)
1508250-71-2

>  <URL> (807)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
OTS964.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (808)
810

>  <Formula> (808)
C23H26Cl2N2O2S

>  <MolWeight> (808)
465.43574

>  <Cat> (808)
S7648

>  <Name> (808)
OTS964

>  <Synonyms> (808)
N/A

>  <Target> (808)
Others

>  <Form> (808)
dihydrochloride

>  <CAS> (808)
1338545-07-5(HCl salt)

>  <URL> (808)
http://www.selleckchem.com/products/ots964.html

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

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M  END
>  <Mol_ID> (809)
811

>  <Formula> (809)
C21H24ClF3N6O2

>  <MolWeight> (809)
484.9024696

>  <Cat> (809)
S8490

>  <Name> (809)
Tanzisertib(CC-930)

>  <Synonyms> (809)
JNK-930|JNKI-1

>  <Target> (809)
JNK

>  <Form> (809)
hydrochloride

>  <CAS> (809)
899805-25-5 (free base)

>  <URL> (809)
http://www.selleckchem.com/products/cc-930.html

$$$$
PD-166866.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (810)
812

>  <Formula> (810)
C20H24N6O3

>  <MolWeight> (810)
396.44296

>  <Cat> (810)
S8493

>  <Name> (810)
PD-166866

>  <Synonyms> (810)
N/A

>  <Target> (810)
FGFR

>  <Form> (810)
Free Base

>  <CAS> (810)
192705-79-6

>  <URL> (810)
http://www.selleckchem.com/products/pd-166866.html

$$$$
BLU-554.cdx
csChFnd80/09132414022D

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1224887-10-8

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1943733-16-1

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K-Ras(G12C)

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free base

>  <CAS> (817)
1629268-00-3

>  <URL> (817)
http://www.selleckchem.com/products/ars-853.html

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PKD1,PKD3,PKD2

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1883545-60-5

>  <URL> (818)
http://www.selleckchem.com/products/crt0066101.html

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>  <URL> (819)
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>  <Mol_ID> (820)
822

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>  <Name> (820)
AD80

>  <Synonyms> (820)
N/A

>  <Target> (820)
Raf,Src,S6 Kinase,RET V804M,RET V804L,RET wt

>  <Form> (820)
free base

>  <CAS> (820)
1384071-99-1

>  <URL> (820)
http://www.selleckchem.com/products/ad80.html

$$$$
RXDX-106 (CEP-40783).cdx
csChFnd80/09132414022D

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823

>  <Formula> (821)
C31H26F2N4O6

>  <MolWeight> (821)
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>  <Cat> (821)
S8570

>  <Name> (821)
RXDX-106 (CEP-40783)

>  <Synonyms> (821)
N/A

>  <Target> (821)
Axl,c-Met,Tyro3,MER,Tyro3,VEGFR2

>  <Form> (821)
free base

>  <CAS> (821)
1437321-24-8

>  <URL> (821)
http://www.selleckchem.com/products/rxdx-106-cep-40783.html

$$$$
GDC-0326.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (822)
824

>  <Formula> (822)
C19H22N6O3

>  <MolWeight> (822)
382.41638

>  <Cat> (822)
S8157

>  <Name> (822)
GDC-0326

>  <Synonyms> (822)
N/A

>  <Target> (822)
PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

>  <Form> (822)
free base

>  <CAS> (822)
1282514-88-8

>  <URL> (822)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

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

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M  END
>  <Mol_ID> (823)
825

>  <Formula> (823)
C17H14N4

>  <MolWeight> (823)
274.31986

>  <Cat> (823)
S8520

>  <Name> (823)
Senexin A

>  <Synonyms> (823)
N/A

>  <Target> (823)
CDK19,CDK8

>  <Form> (823)
free base

>  <CAS> (823)
1366002-50-7

>  <URL> (823)
http://www.selleckchem.com/products/senexin-a.html

$$$$
MSC2530818.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (824)
826

>  <Formula> (824)
C18H17ClN4O

>  <MolWeight> (824)
340.80678

>  <Cat> (824)
S8387

>  <Name> (824)
MSC2530818

>  <Synonyms> (824)
N/A

>  <Target> (824)
CDK8

>  <Form> (824)
free base

>  <CAS> (824)
1883423-59-3

>  <URL> (824)
http://www.selleckchem.com/products/msc2530818.html

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (825)
827

>  <Formula> (825)
C33H29F2N5O4S

>  <MolWeight> (825)
629.6762664

>  <Cat> (825)
S8573

>  <Name> (825)
Sitravatinib (MGCD516)

>  <Synonyms> (825)
MG-516

>  <Target> (825)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (825)
free base

>  <CAS> (825)
1123837-84-2

>  <URL> (825)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

$$$$
3BDO.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (826)
828

>  <Formula> (826)
C18H17NO5

>  <MolWeight> (826)
327.33128

>  <Cat> (826)
S8317

>  <Name> (826)
3BDO

>  <Synonyms> (826)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (826)
FKBP1A

>  <Form> (826)
free base

>  <CAS> (826)
890405-51-3

>  <URL> (826)
http://www.selleckchem.com/products/3bdo.html

$$$$
TPX-0005.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (827)
829

>  <Formula> (827)
C18H18FN5O2

>  <MolWeight> (827)
355.3662232

>  <Cat> (827)
S8583

>  <Name> (827)
TPX-0005

>  <Synonyms> (827)
N/A

>  <Target> (827)
 ALK,ALK(L1196M),ALK(G1202R),Src 

>  <Form> (827)
free base

>  <CAS> (827)
no

>  <URL> (827)
http://www.selleckchem.com/products/tpx-0005.html

$$$$
GSK2982772.cdx
csChFnd80/09132414022D

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human RIP1

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free base

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1622848-92-3

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http://www.selleckchem.com/products/gsk2982772.html

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csChFnd80/09132414022D

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Amcasertib (BBI503)

>  <Synonyms> (829)
N/A

>  <Target> (829)
Nanog

>  <Form> (829)
free base

>  <CAS> (829)
1129403-56-0

>  <URL> (829)
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SF2523.cdx
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DNA-PK,PI3K¦Á,PI3K¦Ã ,BRD4,mTOR

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free base

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1174428-47-7

>  <URL> (830)
http://www.selleckchem.com/products/sf2523.html

$$$$
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>  <Mol_ID> (831)
833

>  <Formula> (831)
C30H24N8O2

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IPI-549

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N/A

>  <Target> (831)
PI3K¦Ã

>  <CAS> (831)
1693758-51-8

>  <URL> (831)
http://www.selleckchem.com/products/ipi-549.html

$$$$
TAK-659.cdx
csChFnd80/09132414022D

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TAK-659

>  <Synonyms> (832)
N/A

>  <Target> (832)
Syk,FLT3,ZAP-70,JAK3,VEGFR2

>  <Form> (832)
hydrochloride 

>  <CAS> (832)
1952251-28-3

>  <URL> (832)
http://www.selleckchem.com/products/tak-659.html

$$$$
PF-06273340.cdx
csChFnd80/09132414022D

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835

>  <Formula> (833)
C23H22ClN7O3

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>  <Cat> (833)
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>  <Synonyms> (833)
N/A

>  <Target> (833)
TrkC,TrkB,TrkA

>  <Form> (833)
free base

>  <CAS> (833)
1402438-74-7

>  <URL> (833)
http://www.selleckchem.com/products/pf-06273340.html

$$$$
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C19H17N3O2S2

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GSK'872 (GSK2399872A)

>  <Synonyms> (834)
N/A

>  <Target> (834)
RIP3K

>  <Form> (834)
Free base

>  <CAS> (834)
1346546-69-7

>  <URL> (834)
http://www.selleckchem.com/products/GSK872-GSK2399872A.html

$$$$
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C19H17N5O3

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>  <Synonyms> (835)
N/A

>  <Target> (835)
PI3K¦Á 

>  <Form> (835)
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>  <CAS> (835)
1268454-23-4

>  <URL> (835)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/09132414022D

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838

>  <Formula> (836)
C2HCl2NaO2

>  <MolWeight> (836)
150.92391

>  <Cat> (836)
S8615

>  <Name> (836)
Sodium dichloroacetate (DCA)

>  <Synonyms> (836)
bichloroacetic acid, BCA

>  <Target> (836)
PDK

>  <Form> (836)
sodium salt

>  <CAS> (836)
2156-56-1

>  <URL> (836)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/09132414022D

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 31  9  1  1  0  0  0
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M  END
>  <Mol_ID> (837)
839

>  <Formula> (837)
C33H44FN5O3

>  <MolWeight> (837)
577.7325632

>  <Cat> (837)
S8511

>  <Name> (837)
Belizatinib (TSR-011)

>  <Synonyms> (837)
N/A

>  <Target> (837)
ALK,TRK

>  <Form> (837)
free base

>  <CAS> (837)
1357920-84-3

>  <URL> (837)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

$$$$
Autophinib.cdx
csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.3451    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5575    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (838)
840

>  <Formula> (838)
C14H11ClN6O3

>  <MolWeight> (838)
346.72854

>  <Cat> (838)
S8596

>  <Name> (838)
Autophinib

>  <Synonyms> (838)
N/A

>  <Target> (838)
autophagy

>  <Form> (838)
free base

>  <CAS> (838)
1644443-47-9

>  <URL> (838)
http://www.selleckchem.com/products/autophinib.html

$$$$
PRN1371.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (839)
841

>  <Formula> (839)
C26H30Cl2N6O4

>  <MolWeight> (839)
561.4602

>  <Cat> (839)
S8578

>  <Name> (839)
PRN1371

>  <Synonyms> (839)
N/A

>  <Target> (839)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (839)
free base

>  <CAS> (839)
1802929-43-6

>  <URL> (839)
http://www.selleckchem.com/products/prn1371.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (840)
842

>  <Formula> (840)
C22H25FN6O4S

>  <MolWeight> (840)
488.5351032

>  <Cat> (840)
S2002

>  <Name> (840)
CZC-25146

>  <Synonyms> (840)
N/A

>  <Target> (840)
LRRK2

>  <Form> (840)
Free Base

>  <CAS> (840)
1191911-26-8

>  <URL> (840)
http://www.selleck.cn/products/czc-25146.html

$$$$
Gilteritinib (ASP2215).cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (841)
843

>  <Formula> (841)
C29H44N8O3

>  <MolWeight> (841)
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>  <Cat> (841)
S7754

>  <Name> (841)
Gilteritinib (ASP2215)

>  <Synonyms> (841)
N/A

>  <Target> (841)
FLT3,Axl 

>  <Form> (841)
free base

>  <CAS> (841)
1254053-43-4

>  <URL> (841)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

$$$$
NCT-503.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (842)
844

>  <Formula> (842)
C20H23F3N4S

>  <MolWeight> (842)
408.4836296

>  <Cat> (842)
S8619

>  <Name> (842)
NCT-503

>  <Synonyms> (842)
N/A

>  <Target> (842)
PHGDH

>  <Form> (842)
free base

>  <CAS> (842)
1916571-90-8

>  <URL> (842)
http://www.selleckchem.com/products/nct-503.html

$$$$
Azoramide.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (843)
845

>  <Formula> (843)
C15H17ClN2OS

>  <MolWeight> (843)
308.82628

>  <Cat> (843)
S8304

>  <Name> (843)
Azoramide

>  <Synonyms> (843)
N/A

>  <Target> (843)
UPR

>  <Form> (843)
free base

>  <CAS> (843)
932986-18-0

>  <URL> (843)
http://www.selleckchem.com/products/azoramide.html

$$$$
R-IMPP.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (844)
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>  <Formula> (844)
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>  <MolWeight> (844)
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>  <Cat> (844)
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>  <Name> (844)
R-IMPP

>  <Synonyms> (844)
N/A

>  <Target> (844)
PCSK9 

>  <Form> (844)
free base

>  <CAS> (844)
no cas

>  <URL> (844)
http://www.selleckchem.com/products/r-impp.html

$$$$
Chk2 Inhibitor II (BML-277).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (845)
847

>  <Formula> (845)
C20H14ClN3O2

>  <MolWeight> (845)
363.79706

>  <Cat> (845)
S8632

>  <Name> (845)
Chk2 Inhibitor II (BML-277)

>  <Synonyms> (845)
N/A

>  <Target> (845)
Chk2

>  <Form> (845)
free base

>  <CAS> (845)
516480-79-8

>  <URL> (845)
http://www.selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
LY3214996.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (846)
848

>  <Formula> (846)
C22H27N7O2S

>  <MolWeight> (846)
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>  <Cat> (846)
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>  <Name> (846)
LY3214996

>  <Synonyms> (846)
N/A

>  <Target> (846)
ERK1,ERK2

>  <Form> (846)
free base

>  <CAS> (846)
1951483-29-6

>  <URL> (846)
http://www.selleckchem.com/products/ly3214996.html

$$$$
PF-06409577.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (847)
849

>  <Formula> (847)
C19H16ClNO3

>  <MolWeight> (847)
341.78824

>  <Cat> (847)
S8335

>  <Name> (847)
PF-06409577

>  <Synonyms> (847)
N/A

>  <Target> (847)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (847)
free base

>  <CAS> (847)
1467057-23-3

>  <URL> (847)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
CCG-203971.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (848)
850

>  <Formula> (848)
C23H21ClN2O3

>  <MolWeight> (848)
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>  <Cat> (848)
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>  <Name> (848)
CCG-203971

>  <Synonyms> (848)
N/A

>  <Target> (848)
SRE.L

>  <Form> (848)
free base

>  <CAS> (848)
1443437-74-8

>  <URL> (848)
http://www.selleckchem.com/products/ccg-203971.html

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (849)
851

>  <Formula> (849)
C18H19NO2S2

>  <MolWeight> (849)
345.47896

>  <Cat> (849)
S8616

>  <Name> (849)
PKM2 inhibitor(compound 3k)

>  <Synonyms> (849)
N/A

>  <Target> (849)
PKM2

>  <Form> (849)
free base

>  <CAS> (849)
94164-88-2

>  <URL> (849)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

$$$$
MKC-3946.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (850)
852

>  <Formula> (850)
C21H20N2O3S

>  <MolWeight> (850)
380.4601

>  <Cat> (850)
S8286

>  <Name> (850)
MKC-3946

>  <Synonyms> (850)
N/A

>  <Target> (850)
IRE1¦Á endoribonuclease

>  <Form> (850)
free base

>  <CAS> (850)
1093119-54-0

>  <URL> (850)
http://www.selleckchem.com/products/mkc-3946.html

$$$$
LYN-1604.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (851)
853

>  <Formula> (851)
C33H45Cl4N3O2

>  <MolWeight> (851)
657.5413

>  <Cat> (851)
S8597

>  <Name> (851)
LYN-1604

>  <Synonyms> (851)
N/A

>  <Target> (851)
ULK1

>  <Form> (851)
dihydrochloride

>  <CAS> (851)
2088939-99-3(free base)

>  <URL> (851)
http://www.selleckchem.com/products/lyn-1604.html

$$$$
FM-381.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (852)
854

>  <Formula> (852)
C24H24N6O2

>  <MolWeight> (852)
428.48636

>  <Cat> (852)
S8541

>  <Name> (852)
FM-381

>  <Synonyms> (852)
N/A

>  <Target> (852)
JAK3

>  <Form> (852)
free base

>  <CAS> (852)
No

>  <URL> (852)
http://www.selleckchem.com/products/fm-381.html

$$$$
CA-4948.cdx
csChFnd80/09132414022D

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855

>  <Formula> (853)
C21H19N7O3

>  <MolWeight> (853)
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CA-4948

>  <Synonyms> (853)
N/A

>  <Target> (853)
IRAK4

>  <Form> (853)
free base

>  <CAS> (853)
1801343-74-7

>  <URL> (853)
http://www.selleckchem.com/products/ca-4948.html

$$$$
S3614 Lupeol.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (854)
856

>  <Formula> (854)
C30H50O

>  <MolWeight> (854)
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>  <Cat> (854)
S3614

>  <Name> (854)
Lupeol

>  <Synonyms> (854)
(3¦Â,13¦Î)-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol

>  <Target> (854)
Others

>  <Form> (854)
free base

>  <CAS> (854)
545-47-1

>  <URL> (854)
http://www.selleckchem.com/products/lupeol.html

$$$$
C188-9.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (855)
857

>  <Formula> (855)
C27H21NO5S

>  <MolWeight> (855)
471.52434

>  <Cat> (855)
S8605

>  <Name> (855)
C188-9

>  <Synonyms> (855)
N/A

>  <Target> (855)
STAT3

>  <Form> (855)
free base

>  <CAS> (855)
432001-19-9

>  <URL> (855)
http://www.selleckchem.com/products/c188-9.html

$$$$
3PO.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (856)
858

>  <Formula> (856)
C13H10N2O

>  <MolWeight> (856)
210.2313

>  <Cat> (856)
S7639

>  <Name> (856)
3PO

>  <Synonyms> (856)
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one

>  <Target> (856)
PFKFB3

>  <Form> (856)
free base

>  <CAS> (856)
18550-98-6

>  <URL> (856)
http://www.selleckchem.com/products/3po.html

$$$$
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csChFnd80/09132414022D

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M  END
>  <Mol_ID> (857)
859

>  <Formula> (857)
C29H34Cl2N8O4

>  <MolWeight> (857)
629.53746

>  <Cat> (857)
S8675

>  <Name> (857)
H3B-6527

>  <Synonyms> (857)
N/A

>  <Target> (857)
FGFR4

>  <Form> (857)
free base

>  <CAS> (857)
1702259-66-2

>  <URL> (857)
http://www.selleckchem.com/products/h3b-6527.html

$$$$
S5144 Neferine.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (858)
860

>  <Formula> (858)
C38H44N2O6

>  <MolWeight> (858)
624.76576

>  <Cat> (858)
S5144

>  <Name> (858)
Neferine

>  <Synonyms> (858)
(R)-1,2-Dimethoxyaporphine

>  <Target> (858)
Others

>  <Form> (858)
free base

>  <CAS> (858)
2292-16-2

>  <URL> (858)
http://www.selleckchem.com/products/neferine.html

$$$$
Takinib.cdx
csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (859)
861

>  <Formula> (859)
C18H18N4O2

>  <MolWeight> (859)
322.36112

>  <Cat> (859)
S8663

>  <Name> (859)
Takinib

>  <Synonyms> (859)
EDHS-206

>  <Target> (859)
TAK1,IRAK4,IRAK1

>  <Form> (859)
free base

>  <CAS> (859)
1111556-37-6

>  <URL> (859)
http://www.selleckchem.com/products/takinib.html

$$$$
S4770 Creatine phosphate disodium salt.cdx
csChFnd80/09132414022D

 15 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (860)
862

>  <Formula> (860)
C4H8N3Na2O5P

>  <MolWeight> (860)
255.076721

>  <Cat> (860)
S4770

>  <Name> (860)
Creatine phosphate disodium salt

>  <Synonyms> (860)
Phosphocreatine disodium salt

>  <Target> (860)
Others

>  <Form> (860)
disodium salt

>  <CAS> (860)
922-32-7

>  <URL> (860)
http://www.selleckchem.com/products/creatine-phosphate-disodium-salt.html

$$$$
IPI-3063.cdx
csChFnd80/09132414022D

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    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
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 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
  7 12  2  0  0  0  0
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 16  7  1  0  0  0  0
 14 17  2  0  0  0  0
 13 18  1  0  0  0  0
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 11 20  2  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
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 27 32  1  0  0  0  0
 28 34  1  0  0  0  0
 32 33  3  0  0  0  0
M  END
>  <Mol_ID> (861)
863

>  <Formula> (861)
C25H25N7O2

>  <MolWeight> (861)
455.5117

>  <Cat> (861)
S7335

>  <Name> (861)
IPI-3063

>  <Synonyms> (861)
N/A

>  <Target> (861)
p110¦Ä

>  <Form> (861)
free base

>  <CAS> (861)
1425043-73-7

>  <URL> (861)
http://www.selleckchem.com/products/ipi-3063.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
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    1.6080    5.5489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.3514    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    4.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    7.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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  1  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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 10 14  1  0  0  0  0
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 14 16  1  0  0  0  0
  5 20  1  6  0  0  0
M  END
>  <Mol_ID> (862)
864

>  <Formula> (862)
C6H6Na3O9P

>  <MolWeight> (862)
322.049511

>  <Cat> (862)
S5115

>  <Name> (862)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (862)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (862)
Others

>  <Form> (862)
sodium salt

>  <CAS> (862)
66170-10-3

>  <URL> (862)
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
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    8.6061    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  1  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (863)
865

>  <Formula> (863)
C15H19N5O

>  <MolWeight> (863)
285.34426

>  <Cat> (863)
S8538

>  <Name> (863)
PF-06651600

>  <Synonyms> (863)
N/A

>  <Target> (863)
JAK3 

>  <Form> (863)
free base

>  <CAS> (863)
1792180-81-4

>  <URL> (863)
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
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (864)
866

>  <Formula> (864)
C15H10O5

>  <MolWeight> (864)
270.2369

>  <Cat> (864)
S8696

>  <Name> (864)
2-D08
2-D08

>  <Synonyms> (864)
2',3',4'-trihydroxy flavone

>  <Target> (864)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (864)
free base

>  <CAS> (864)
144707-18-6

>  <URL> (864)
http://selleckchem.com/products/2-d08.html

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/09132414022D

 40 45  0  0  0  0  0  0  0  0999 V2000
    0.0108    2.1093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7529    0.2477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7704    2.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2834    8.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1559    7.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7952    9.9058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5167    5.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4130    6.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5404    7.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0049    3.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3080    3.2951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 36 38  1  0  0  0  0
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M  END
>  <Mol_ID> (865)
867

>  <Formula> (865)
C26H23F4N9O

>  <MolWeight> (865)
553.5141328

>  <Cat> (865)
S7812

>  <Name> (865)
Itacitinib (INCB39110)

>  <Synonyms> (865)
N/A

>  <Target> (865)
JAK

>  <Form> (865)
free base

>  <CAS> (865)
1334298-90-6

>  <URL> (865)
http://selleckchem.com/produ-------------------cts/itacitinib-incb39110.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
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M  END
>  <Mol_ID> (866)
868

>  <Formula> (866)
C28H34O9

>  <MolWeight> (866)
514.56416

>  <Cat> (866)
S5045

>  <Name> (866)
Nomilin

>  <Synonyms> (866)
N/A

>  <Target> (866)
Others

>  <Form> (866)
free base

>  <CAS> (866)
1063-77-0

>  <URL> (866)
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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M  END
>  <Mol_ID> (867)
869

>  <Formula> (867)
C21H17ClF4N4O4

>  <MolWeight> (867)
500.8306928

>  <Cat> (867)
S5077

>  <Name> (867)
Regorafenib Monohydrate

>  <Synonyms> (867)
N/A

>  <Target> (867)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (867)
monohydrate

>  <CAS> (867)
1019206-88-2

>  <URL> (867)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
S5084 Carbazochrome.cdx
csChFnd80/09132414022D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (868)
870

>  <Formula> (868)
C10H12N4O3

>  <MolWeight> (868)
236.22728

>  <Cat> (868)
S5084

>  <Name> (868)
Carbazochrome

>  <Synonyms> (868)
Adedolon, Adchnon, Adrenostazin, Cromadrenal, Adona, AC-17

>  <Target> (868)
Others

>  <Form> (868)
free base

>  <CAS> (868)
69-81-8

>  <URL> (868)
http://selleckchem.com/products/carbazochrome.html

$$$$
S5093 Rafoxanide.cdx
csChFnd80/09132414022D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (869)
871

>  <Formula> (869)
C19H11Cl2I2NO3

>  <MolWeight> (869)
626.01048

>  <Cat> (869)
S5093

>  <Name> (869)
Rafoxanide

>  <Synonyms> (869)
Disalan, Ranide, Flukanide, Bovanide

>  <Target> (869)
Anti-infection

>  <Form> (869)
free base

>  <CAS> (869)
22662-39-1

>  <URL> (869)
http://selleckchem.com/products/rafoxanide.html

$$$$
BGB-3111.cdx
csChFnd80/09132414022D

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    1.6458    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 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  7  2  0  0  0  0
 16 19  1  0  0  0  0
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 23 17  1  1  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
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (870)
872

>  <Formula> (870)
C24H25N5O3

>  <MolWeight> (870)
431.487

>  <Cat> (870)
S8542

>  <Name> (870)
Btk inhibitor 2

>  <Synonyms> (870)
N/A

>  <Target> (870)
BTK

>  <Form> (870)
free base

>  <CAS> (870)
1558036-85-3

>  <URL> (870)
http://selleckchem.com/products/btk-inhibitor-2.html

$$$$
kira6.cdx
csChFnd80/09132414022D

 38 42  0  0  0  0  0  0  0  0999 V2000
    8.4870    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 34  1  0  0  0  0
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M  END
>  <Mol_ID> (871)
873

>  <Formula> (871)
C28H25F3N6O

>  <MolWeight> (871)
518.5329096

>  <Cat> (871)
S8658

>  <Name> (871)
kira6

>  <Synonyms> (871)
N/A

>  <Target> (871)
Others

>  <CAS> (871)
1589527-65-0

>  <URL> (871)
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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    5.1360    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2837    4.8539    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> (872)
874

>  <Formula> (872)
C18H13BrN2O4S2

>  <MolWeight> (872)
465.34082

>  <Cat> (872)
S8652

>  <Name> (872)
Skp2 inhibitor C1 (SKPin C1)

>  <Synonyms> (872)
N/A

>  <Target> (872)
CDK

>  <CAS> (872)
432001-69-9

>  <URL> (872)
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
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 27 22  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (873)
875

>  <Formula> (873)
C18H15ClN6OS2

>  <MolWeight> (873)
430.9343

>  <Cat> (873)
S8699

>  <Name> (873)
SNS-314 Mesylate

>  <Synonyms> (873)
N/A

>  <Target> (873)
Aurora Kinase

>  <CAS> (873)
1057249-41-8

>  <URL> (873)
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
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>  <Mol_ID> (874)
876

>  <Formula> (874)
C31H26N4O3

>  <MolWeight> (874)
502.56314

>  <Cat> (874)
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>  <Name> (874)
BMS-935177

>  <Synonyms> (874)
N/A

>  <Target> (874)
BTK,Trk receptor,c-RET

>  <Form> (874)
free base

>  <CAS> (874)
1231889-53-4

>  <URL> (874)
http://selleckchem.com/products/bms-935177.html

$$$$
KPT-9274.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (875)
877

>  <Formula> (875)
C35H29F3N4O3

>  <MolWeight> (875)
610.6249696

>  <Cat> (875)
S8444

>  <Name> (875)
KPT-9274

>  <Synonyms> (875)
N/A

>  <Target> (875)
NAMPT,PAK

>  <Form> (875)
free base

>  <CAS> (875)
1643913-93-2

>  <URL> (875)
http://selleckchem.com/products/kpt-9274.html

$$$$
Asciminib(ABL001).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (876)
878

>  <Formula> (876)
C20H18ClF2N5O3

>  <MolWeight> (876)
449.8384264

>  <Cat> (876)
S8555

>  <Name> (876)
Asciminib (ABL001)

>  <Synonyms> (876)
N/A

>  <Target> (876)
Bcr-Abl

>  <Form> (876)
free base

>  <CAS> (876)
1492952-76-7

>  <URL> (876)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
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csChFnd80/09132414022D

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M  END
>  <Mol_ID> (877)
879

>  <Formula> (877)
C23H18FN5O2

>  <MolWeight> (877)
415.4197232

>  <Cat> (877)
S8672

>  <Name> (877)
Tenalisib (RP6530)

>  <Synonyms> (877)
N/A

>  <Target> (877)
PI3K

>  <Form> (877)
free base

>  <CAS> (877)
1639417-53-0

>  <URL> (877)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
AS1517499.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (878)
880

>  <Formula> (878)
C20H20ClN5O2

>  <MolWeight> (878)
397.8581

>  <Cat> (878)
S8685

>  <Name> (878)
AS1517499

>  <Synonyms> (878)
N/A

>  <Target> (878)
STAT

>  <Form> (878)
free base

>  <CAS> (878)
919486-40-1

>  <URL> (878)
http://selleckchem.com/products/as1517499.html

$$$$
RAF709.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (879)
881

>  <Formula> (879)
C28H29F3N4O4

>  <MolWeight> (879)
542.5494696

>  <Cat> (879)
S8690

>  <Name> (879)
RAF709

>  <Synonyms> (879)
N/A

>  <Target> (879)
Raf

>  <Form> (879)
free base

>  <CAS> (879)
1628838-42-5

>  <URL> (879)
http://selleckchem.com/products/raf709.html

$$$$
S5232 Alectinib hydrochloride.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (880)
882

>  <Formula> (880)
C30H35ClN4O2

>  <MolWeight> (880)
519.0775

>  <Cat> (880)
S5232

>  <Name> (880)
Alectinib hydrochloride

>  <Synonyms> (880)
AF802 hydrochloride

>  <Target> (880)
ALK

>  <Form> (880)
hydrochloride 

>  <CAS> (880)
1256589-74-8

>  <URL> (880)
http://selleckchem.com/products/alectinib-hydrochloride.html

$$$$
S5060 Metadoxine.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (881)
883

>  <Formula> (881)
C13H18N2O6

>  <MolWeight> (881)
298.29182

>  <Cat> (881)
S5060

>  <Name> (881)
 Metadoxine

>  <Synonyms> (881)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (881)
Others

>  <Form> (881)
salt

>  <CAS> (881)
74536-44-0

>  <URL> (881)
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
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4674    0.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545    1.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273    1.1273    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    5.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (882)
884

>  <Formula> (882)
C10H16N5O8P

>  <MolWeight> (882)
365.236501

>  <Cat> (882)
S5284

>  <Name> (882)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (882)
5'-Adenylic acid, 5'-AMP

>  <Target> (882)
AMPK

>  <Form> (882)
hydrate 

>  <CAS> (882)
18422-05-4

>  <URL> (882)
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
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (883)
885

>  <Formula> (883)
C6H14Cl4N4

>  <MolWeight> (883)
284.01416

>  <Cat> (883)
S5321

>  <Name> (883)
Y15

>  <Synonyms> (883)
1,2,4,5-Benzenetetraamine tetrahydrochloride

>  <Target> (883)
FAK

>  <Form> (883)
tetrahydrochloride 

>  <CAS> (883)
4506-66-5

>  <URL> (883)
http://selleckchem.com/products/y15.html

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/09132414022D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371    7.4831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1678    8.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    7.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8679    9.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312   11.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6521   10.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    9.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9496    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7726    9.5979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    2.8229    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    1.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    4.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  6  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (884)
886

>  <Formula> (884)
C17H21N6O4P

>  <MolWeight> (884)
404.360201

>  <Cat> (884)
S5243

>  <Name> (884)
Ruxolitinib Phosphate

>  <Synonyms> (884)
INCB018424, INC424

>  <Target> (884)
JAK

>  <Form> (884)
phosphate 

>  <CAS> (884)
1092939-17-7

>  <URL> (884)
http://selleckchem.com/products/ruxolitinib-phosphate.html

$$$$
S5313 SC66.cdx
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 13 14  2  0  0  0  0
 12 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (885)
887

>  <Formula> (885)
C18H16N2O

>  <MolWeight> (885)
276.33244

>  <Cat> (885)
S5313

>  <Name> (885)
SC66

>  <Synonyms> (885)
N/A

>  <Target> (885)
Akt

>  <Form> (885)
free base

>  <CAS> (885)
871361-88-5

>  <URL> (885)
http://selleckchem.com/products/sc66.html

$$$$
S5316 NU2058.cdx
csChFnd80/09132414022D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.8434    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    2.1079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    2.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    2.5263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    0.2841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4216    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    4.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2109    4.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  0  0  0  0
  6  1  2  0  0  0  0
  2  6  1  0  0  0  0
  5  2  2  0  0  0  0
  4  3  2  0  0  0  0
  8  3  1  0  0  0  0
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 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
  9  7  2  0  0  0  0
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 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (886)
888

>  <Formula> (886)
C12H17N5O

>  <MolWeight> (886)
247.29628

>  <Cat> (886)
S5316

>  <Name> (886)
NU2058

>  <Synonyms> (886)
O(6)-Cyclohexylmethylguanine

>  <Target> (886)
CDK

>  <Form> (886)
free base

>  <CAS> (886)
161058-83-9

>  <URL> (886)
http://selleckchem.com/products/nu2058.html

$$$$
AZD1390.cdx
csChFnd80/09132414022D

 35 39  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 N   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
   16.9741    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> (887)
889

>  <Formula> (887)
C27H32FN5O2

>  <MolWeight> (887)
477.5736832

>  <Cat> (887)
S8680

>  <Name> (887)
AZD1390

>  <Synonyms> (887)
N/A

>  <Target> (887)
ATM/ATR

>  <Form> (887)
free base

>  <CAS> (887)
2089288-03-7

>  <URL> (887)
http://selleckchem.com/products/azd1390.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/09132414022D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (888)
890

>  <Formula> (888)
C22H25Cl2FN4O3

>  <MolWeight> (888)
483.3633032

>  <Cat> (888)
S5098

>  <Name> (888)
Gefitinib hydrochloride

>  <Synonyms> (888)
ZD1839 hydrochloride

>  <Target> (888)
EGFR

>  <Form> (888)
hydrochloride 

>  <CAS> (888)
184475-55-6

>  <URL> (888)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/09132414022D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (889)
891

>  <Formula> (889)
C23H26ClN

>  <MolWeight> (889)
351.91224

>  <Cat> (889)
S5279

>  <Name> (889)
Fendiline hydrochloride

>  <Synonyms> (889)
N/A

>  <Target> (889)
Calcium Channel,Ras

>  <Form> (889)
hydrochloride 

>  <CAS> (889)
13636-18-5

>  <URL> (889)
http://selleckchem.com/products/fendiline-hydrochloride.html

$$$$
GSK'963.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (890)
892

>  <Formula> (890)
C14H18N2O

>  <MolWeight> (890)
230.30552

>  <Cat> (890)
S8642

>  <Name> (890)
GSK'963

>  <Synonyms> (890)
N/A

>  <Target> (890)
NF-¦ÊB,TNF-alpha

>  <Form> (890)
free base

>  <CAS> (890)
2049868-46-2

>  <URL> (890)
http://selleckchem.com/products/gsk963.html

$$$$
bpV (HOpic).cdx
csChFnd80/09132414022D

 18 19  0  0  0  0  0  0  0  0999 V2000
   13.5013    3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (891)
893

>  <Formula> (891)
C6H4K2NO8V

>  <MolWeight> (891)
347.23596

>  <Cat> (891)
S8651

>  <Name> (891)
bpV (HOpic)

>  <Synonyms> (891)
Bisperoxovanadium(HOpic)

>  <Target> (891)
PTEN

>  <Form> (891)
potassium 

>  <CAS> (891)
722494-26-0

>  <URL> (891)
http://selleckchem.com/products/bpv-hopic.html

$$$$
Anlotinib (AL3818).cdx
csChFnd80/09132414022D

 32 34  0  0  0  0  0  0  0  0999 V2000
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   12.6499    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (892)
894

>  <Formula> (892)
C23H24Cl2FN3O3

>  <MolWeight> (892)
480.3593632

>  <Cat> (892)
S8726

>  <Name> (892)
Anlotinib (AL3818) dihydrochloride

>  <Synonyms> (892)
N/A

>  <Target> (892)
VEGFR

>  <Form> (892)
dihydrochloride 

>  <CAS> (892)
1360460-82-7

>  <URL> (892)
http://selleckchem.com/products/anlotinib-al3818.html

$$$$
DCC-2618.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (893)
895

>  <Formula> (893)
C26H21F2N5O3

>  <MolWeight> (893)
489.4734464

>  <Cat> (893)
S8721

>  <Name> (893)
DCC-2618

>  <Synonyms> (893)
N/A

>  <Target> (893)
c-Kit

>  <CAS> (893)
 1225278-16-9

>  <URL> (893)
http://selleckchem.com/products/dcc-2618.html

$$$$
FGF401.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (894)
896

>  <Formula> (894)
C25H30N8O4

>  <MolWeight> (894)
506.5569

>  <Cat> (894)
S8548

>  <Name> (894)
FGF401

>  <Synonyms> (894)
N/A

>  <Target> (894)
FGFR

>  <Form> (894)
free base

>  <CAS> (894)
1708971-55-4

>  <URL> (894)
http://selleckchem.com/products/fgf401.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (895)
897

>  <Formula> (895)
C21H28O2

>  <MolWeight> (895)
312.44582

>  <Cat> (895)
S3792

>  <Name> (895)
Guggulsterone E&Z

>  <Synonyms> (895)
N/A

>  <Target> (895)
FXR

>  <Form> (895)
free base

>  <CAS> (895)
95975-55-6

>  <URL> (895)
http://selleckchem.com/products/guggulsterone.html

$$$$
S4955 Acetosyringone.cdx
csChFnd80/09132414022D

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    3.6651    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    4.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0062    4.8839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    4.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714    4.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  7  9  2  0  0  0  0
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 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (896)
898

>  <Formula> (896)
C10H12O4

>  <MolWeight> (896)
196.19988

>  <Cat> (896)
S4955

>  <Name> (896)
Acetosyringone

>  <Synonyms> (896)
Acetosyringenin

>  <Target> (896)
Others

>  <Form> (896)
free base

>  <CAS> (896)
2478-38-8

>  <URL> (896)
http://selleckchem.com/products/acetosyringone.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/09132414022D

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   10.9784    4.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.5938    3.4356    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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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
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 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
M  END
>  <Mol_ID> (897)
899

>  <Formula> (897)
C24H24F3N5O5S3

>  <MolWeight> (897)
615.6680696

>  <Cat> (897)
S5069

>  <Name> (897)
Dabrafenib Mesylate

>  <Synonyms> (897)
GSK2118436 Mesylate

>  <Target> (897)
Raf

>  <Form> (897)
mesylate

>  <CAS> (897)
1195768-06-9

>  <URL> (897)
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
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    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
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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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M  END
>  <Mol_ID> (898)
900

>  <Formula> (898)
C33H39N5O7S

>  <MolWeight> (898)
649.75706

>  <Cat> (898)
S5234

>  <Name> (898)
Nintedanib Ethanesulfonate Salt

>  <Synonyms> (898)
Intedanib, BIBF 1120

>  <Target> (898)
VEGFR,FGFR,PDGFR

>  <Form> (898)
ethanesulfonate 

>  <CAS> (898)
656247-18-6

>  <URL> (898)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/09132414022D

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 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> (899)
901

>  <Formula> (899)
C29H31FN4O7

>  <MolWeight> (899)
566.5774432

>  <Cat> (899)
S5242

>  <Name> (899)
Cediranib Maleate

>  <Synonyms> (899)
AZD-2171 maleate

>  <Target> (899)
VEGFR

>  <Form> (899)
maleate

>  <CAS> (899)
 857036-77-2

>  <URL> (899)
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> (900)
902

>  <Formula> (900)
C22H42O2

>  <MolWeight> (900)
338.56768

>  <Cat> (900)
S5383

>  <Name> (900)
Erucic acid

>  <Synonyms> (900)
cis-13-docosenoic acid

>  <Target> (900)
Others

>  <Form> (900)
free base

>  <CAS> (900)
112-86-7

>  <URL> (900)
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> (901)
903

>  <Formula> (901)
C3H3BrO3

>  <MolWeight> (901)
166.95812

>  <Cat> (901)
S5426

>  <Name> (901)
Bromopyruvic acid

>  <Synonyms> (901)
3-Bromopyruvic acid, 3-Bromopyruvate

>  <Target> (901)
Others

>  <Form> (901)
free base

>  <CAS> (901)
1113-59-3

>  <URL> (901)
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> (902)
904

>  <Formula> (902)
C8H6BrN

>  <MolWeight> (902)
196.04394

>  <Cat> (902)
S5439

>  <Name> (902)
5-Bromoindole

>  <Synonyms> (902)
N/A

>  <Target> (902)
GSK-3

>  <Form> (902)
free base

>  <CAS> (902)
10075-50-0

>  <URL> (902)
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> (903)
905

>  <Formula> (903)
C11H12O4

>  <MolWeight> (903)
208.21058

>  <Cat> (903)
S5451

>  <Name> (903)
Ferulic acid methyl ester

>  <Synonyms> (903)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (903)
Immunology & Inflammation related

>  <Form> (903)
free base

>  <CAS> (903)
149567

>  <URL> (903)
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> (904)
906

>  <Formula> (904)
C20H14ClNO4

>  <MolWeight> (904)
367.78246

>  <Cat> (904)
S5452

>  <Name> (904)
Sanguinarine chloride

>  <Synonyms> (904)
N/A

>  <Target> (904)
phosphatase

>  <Form> (904)
chloride 

>  <CAS> (904)
5578-73-4

>  <URL> (904)
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
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M  END
>  <Mol_ID> (905)
907

>  <Formula> (905)
C42H68O13

>  <MolWeight> (905)
780.98152

>  <Cat> (905)
S5454

>  <Name> (905)
Saikosaponin D

>  <Synonyms> (905)
N/A

>  <Target> (905)
ATPase

>  <Form> (905)
free base

>  <CAS> (905)
20874-52-6

>  <URL> (905)
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
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M  END
>  <Mol_ID> (906)
908

>  <Formula> (906)
C20H20O4

>  <MolWeight> (906)
324.3704

>  <Cat> (906)
S5456

>  <Name> (906)
Isobavachalcone

>  <Synonyms> (906)
Corylifolinin

>  <Target> (906)
Anti-infection

>  <Form> (906)
free base

>  <CAS> (906)
20784-50-3

>  <URL> (906)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/09132414022D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (907)
909

>  <Formula> (907)
C22H26O11

>  <MolWeight> (907)
466.43524

>  <Cat> (907)
S5457

>  <Name> (907)
Curculigoside

>  <Synonyms> (907)
Curculigoside A

>  <Target> (907)
Immunology & Inflammation related

>  <Form> (907)
free base

>  <CAS> (907)
85643-19-2

>  <URL> (907)
http://selleckchem.com/products/curculigoside.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/09132414022D

 44 47  0  0  0  0  0  0  0  0999 V2000
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 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (908)
910

>  <Formula> (908)
C29H36O15

>  <MolWeight> (908)
624.58714

>  <Cat> (908)
S5458

>  <Name> (908)
Verbascoside

>  <Synonyms> (908)
Acteoside, Kusaginin

>  <Target> (908)
Immunology & Inflammation related

>  <Form> (908)
free base

>  <CAS> (908)
61276-17-3

>  <URL> (908)
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> (909)
911

>  <Formula> (909)
C20H16O5

>  <MolWeight> (909)
336.33804

>  <Cat> (909)
S5464

>  <Name> (909)
Psoralidin

>  <Synonyms> (909)
N/A

>  <Target> (909)
Estrogen/progestogen Receptor

>  <Form> (909)
free base

>  <CAS> (909)
18642-23-4

>  <URL> (909)
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> (910)
912

>  <Formula> (910)
C27H30O15

>  <MolWeight> (910)
594.5181

>  <Cat> (910)
S5468

>  <Name> (910)
Kaempferol-3-O-glucorhamnoside

>  <Synonyms> (910)
Kaempferol 3-neohesperidoside

>  <Target> (910)
Others

>  <Form> (910)
salt

>  <CAS> (910)
40437-72-7

>  <URL> (910)
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> (911)
913

>  <Formula> (911)
C14H8O9

>  <MolWeight> (911)
320.20792

>  <Cat> (911)
S5516

>  <Name> (911)
Ellagic Acid hydrate

>  <Synonyms> (911)
N/A

>  <Target> (911)
Casein Kinase

>  <Form> (911)
monohydrate 

>  <CAS> (911)
 314041-08-2

>  <URL> (911)
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> (912)
914

>  <Formula> (912)
C15H10O5

>  <MolWeight> (912)
270.2369

>  <Cat> (912)
S5529

>  <Name> (912)
Galangin

>  <Synonyms> (912)
3,5,7-trihydroxyflavone; Norizalpinin

>  <Target> (912)
P450 (e.g. CYP17)

>  <Form> (912)
free base

>  <CAS> (912)
548-83-4

>  <URL> (912)
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> (913)
915

>  <Formula> (913)
C3H7NO3

>  <MolWeight> (913)
105.09258

>  <Cat> (913)
S5545

>  <Name> (913)
DL-Serine

>  <Synonyms> (913)
N/A

>  <Target> (913)
PKM

>  <CAS> (913)
302-84-1

>  <URL> (913)
http://selleckchem.com/products/dl-serine.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/09132414022D

 72 80  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (914)
916

>  <Formula> (914)
C49H76O20

>  <MolWeight> (914)
985.11574

>  <Cat> (914)
S5554

>  <Name> (914)
Lanatoside C

>  <Synonyms> (914)
N/A

>  <Target> (914)
ATPase

>  <Form> (914)
free base

>  <CAS> (914)
17575-22-3

>  <URL> (914)
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
    4.8497    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> (915)
917

>  <Formula> (915)
C10H20O

>  <MolWeight> (915)
156.2652

>  <Cat> (915)
S5584

>  <Name> (915)
Citronellol

>  <Synonyms> (915)
dihydrogeraniol, (¡À)-¦Â-Citronellol

>  <Target> (915)
Others

>  <Form> (915)
free base

>  <CAS> (915)
106-22-9

>  <URL> (915)
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> (916)
918

>  <Formula> (916)
C4H9N3O2

>  <MolWeight> (916)
131.13316

>  <Cat> (916)
S5588

>  <Name> (916)
Creatine

>  <Synonyms> (916)
Methylguanidoacetic acid

>  <Target> (916)
Others

>  <Form> (916)
free base

>  <CAS> (916)
57-00-1

>  <URL> (916)
http://selleckchem.com/products/creatine.html

$$$$
UM-164.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (917)
919

>  <Formula> (917)
C30H31F3N8O3S

>  <MolWeight> (917)
640.6791496

>  <Cat> (917)
S8706

>  <Name> (917)
UM-164

>  <Synonyms> (917)
N/A

>  <Target> (917)
Src,p38 MAPK

>  <Form> (917)
free base

>  <CAS> (917)
903564-48-7

>  <URL> (917)
http://selleckchem.com/products/um-164.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/09132414022D

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   10.9121    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3371    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (918)
920

>  <Formula> (918)
C28H23ClF3N7O

>  <MolWeight> (918)
565.9767296

>  <Cat> (918)
S5205

>  <Name> (918)
Nilotinib hydrochloride

>  <Synonyms> (918)
AMN-107 HCl

>  <Target> (918)
Bcr-Abl

>  <Form> (918)
hydrochloride 

>  <CAS> (918)
923288-95-3

>  <URL> (918)
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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M  END
>  <Mol_ID> (919)
921

>  <Formula> (919)
C22H23ClN4O7S

>  <MolWeight> (919)
522.95862

>  <Cat> (919)
S5240

>  <Name> (919)
lenvatinib Mesylate

>  <Synonyms> (919)
N/A

>  <Target> (919)
VEGFR

>  <Form> (919)
Mesylate

>  <CAS> (919)
 857890-39-2

>  <URL> (919)
http://selleckchem.com/products/lenvatinib-mesylate.html

$$$$
S5265 TBB.cdx
csChFnd80/09132414022D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
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 12  5  1  0  0  0  0
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M  END
>  <Mol_ID> (920)
922

>  <Formula> (920)
C6HBr4N3

>  <MolWeight> (920)
434.70824

>  <Cat> (920)
S5265

>  <Name> (920)
TBB

>  <Synonyms> (920)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (920)
Casein Kinase

>  <CAS> (920)
17374-26-4

>  <URL> (920)
http://selleckchem.com/products/tbb.html

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (921)
923

>  <Formula> (921)
C22H28FN4O6P

>  <MolWeight> (921)
494.4530842

>  <Cat> (921)
S5272

>  <Name> (921)
Toceranib phosphate

>  <Synonyms> (921)
SU11654

>  <Target> (921)
PDGFR¦Â

>  <Form> (921)
phosphate 

>  <CAS> (921)
874819-74-6

>  <URL> (921)
http://selleckchem.com/products/.html

$$$$
ARQ 531.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (922)
924

>  <Formula> (922)
C25H23ClN4O4

>  <MolWeight> (922)
478.92752

>  <Cat> (922)
S8711

>  <Name> (922)
ARQ 531

>  <Synonyms> (922)
N/A

>  <Target> (922)
BTK

>  <Form> (922)
free base

>  <CAS> (922)
2095393-15-8

>  <URL> (922)
http://selleckchem.com/products/.html

$$$$
CCT245737.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (923)
925

>  <Formula> (923)
C16H16F3N7O

>  <MolWeight> (923)
379.3397496

>  <Cat> (923)
S8253

>  <Name> (923)
CCT245737 

>  <Synonyms> (923)
N/A

>  <Target> (923)
Chk

>  <Form> (923)
free base

>  <CAS> (923)
1489389-18-5

>  <URL> (923)
http://www.selleckchem.com/products/cct245737.html

$$$$
S5542 7-Nitroindazole.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (924)
926

>  <Formula> (924)
C7H5N3O2

>  <MolWeight> (924)
163.1335

>  <Cat> (924)
S5542

>  <Name> (924)
7-Nitroindazole

>  <Synonyms> (924)
N/A

>  <Target> (924)
neuronal?nitric oxide synthase

>  <Form> (924)
free base

>  <CAS> (924)
2942-42-9

>  <URL> (924)
http://selleckchem.com/products/.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/09132414022D

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>  <Mol_ID> (925)
927

>  <Formula> (925)
C30H34N8O3

>  <MolWeight> (925)
554.64276

>  <Cat> (925)
S8724

>  <Name> (925)
Lazertinib (YH25448,GNS-1480)

>  <Form> (925)
free base

>  <CAS> (925)
1903008-80-9

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/09132414022D

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    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> (926)
928

>  <Formula> (926)
C9H10O5

>  <MolWeight> (926)
198.1727

>  <Cat> (926)
S5550

>  <Name> (926)
Ethyl gallate

>  <Synonyms> (926)
N/A

>  <Target> (926)
NF-¦ÊB

>  <CAS> (926)
831-61-8

>  <URL> (926)
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> (927)
929

>  <Formula> (927)
C10H6O4

>  <MolWeight> (927)
190.15224

>  <Cat> (927)
S9361

>  <Name> (927)
Coumarin-3-carboxylic acid

>  <Form> (927)
free base

>  <CAS> (927)
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> (928)
930

>  <Formula> (928)
C10H14N5O7P

>  <MolWeight> (928)
347.221221

>  <Cat> (928)
S9366

>  <Name> (928)
5'-Adenylic acid

>  <Form> (928)
free base

>  <CAS> (928)
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> (929)
931

>  <Formula> (929)
C8H8O3

>  <MolWeight> (929)
152.14732

>  <Cat> (929)
S9374

>  <Name> (929)
2',5'-Dihydroxyacetophenone

>  <CAS> (929)
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> (930)
932

>  <Formula> (930)
C15H24N2O2

>  <MolWeight> (930)
264.36326

>  <Cat> (930)
S9384

>  <Name> (930)
Sophocarpine Monohydrate

>  <Form> (930)
free base

>  <CAS> (930)
 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> (931)
933

>  <Formula> (931)
C6H13NO3

>  <MolWeight> (931)
147.17232

>  <Cat> (931)
S9393

>  <Name> (931)
(4S)-4-Hydroxy-L-isoleucine

>  <Form> (931)
free base

>  <CAS> (931)
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> (932)
934

>  <Formula> (932)
C20H20O6

>  <MolWeight> (932)
356.3692

>  <Cat> (932)
S9406

>  <Name> (932)
Sauchinone

>  <CAS> (932)
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
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M  END
>  <Mol_ID> (933)
935

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C29H44O8

>  <MolWeight> (933)
520.65486

>  <Cat> (933)
S9414

>  <Name> (933)
Cyasterone

>  <Form> (933)
free base

>  <CAS> (933)
17086-76-9

$$$$
S9417 Homoplantaginin.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (934)
936

>  <Formula> (934)
C22H22O11

>  <MolWeight> (934)
462.40348

>  <Cat> (934)
S9417

>  <Name> (934)
Homoplantaginin

>  <Form> (934)
free base

>  <CAS> (934)
17680-84-1

$$$$
S9430 Tomatidine.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (935)
937

>  <Formula> (935)
C27H46ClNO2

>  <MolWeight> (935)
452.11264

>  <Cat> (935)
S9430

>  <Name> (935)
Tomatidine

>  <Form> (935)
free base

>  <CAS> (935)
6192-62-7

$$$$
S9431 Dehydrocorydalin.cdx
csChFnd80/09132414022D

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 20 24  1  0  0  0  0
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 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (936)
938

>  <Formula> (936)
C22H24NO4+

>  <MolWeight> (936)
366.43026

>  <Cat> (936)
S9431

>  <Name> (936)
Dehydrocorydalin

>  <Form> (936)
free base

>  <CAS> (936)
30045-16-0

$$$$

csChFnd80/09132414022D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4110    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6228    2.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0003    4.1781    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    2.4201    5.5854    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (937)
939

>  <Formula> (937)
C6H6Br6

>  <MolWeight> (937)
557.53584

>  <Cat> (937)
S5902

>  <Name> (937)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (937)
NSC7908

>  <Target> (937)
JAK

>  <Form> (937)
Free Base

>  <CAS> (937)
1837-91-8

>  <URL> (937)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (938)
940

>  <Formula> (938)
C16H15N3O3

>  <MolWeight> (938)
297.3086

>  <Cat> (938)
S5903

>  <Name> (938)
JANEX-1

>  <Synonyms> (938)
WHI-P131

>  <Target> (938)
JAK

>  <Form> (938)
Free Base

>  <CAS> (938)
202475-60-3

>  <URL> (938)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.7234    6.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5104    6.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    4.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7299    4.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    4.2130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    2.1182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    2.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    2.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9361    6.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (939)
941

>  <Formula> (939)
C16H13Br2N3O3

>  <MolWeight> (939)
455.10072

>  <Cat> (939)
S5904

>  <Name> (939)
WHI-P97

>  <Synonyms> (939)
N/A

>  <Target> (939)
JAK

>  <Form> (939)
Free Base

>  <CAS> (939)
211555-05-4

>  <URL> (939)
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
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   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> (940)
942

>  <Formula> (940)
C22H23N5O2

>  <MolWeight> (940)
389.45032

>  <Cat> (940)
S5917

>  <Name> (940)
Solcitinib

>  <Synonyms> (940)
GLPG0778, GSK2586184

>  <Target> (940)
JAK

>  <Form> (940)
Free Base

>  <CAS> (940)
1206163-45-2

>  <URL> (940)
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
    2.4249    2.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2752    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4927    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4927    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0553    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9176    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9798    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1922    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 11 14  1  0  0  0  0
  7  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2 22  1  0  0  0  0
M  END
>  <Mol_ID> (941)
943

>  <Formula> (941)
C19H33NO2

>  <MolWeight> (941)
307.47082

>  <Cat> (941)
S5950

>  <Name> (941)
Fingolimod

>  <Form> (941)
Free Base

>  <CAS> (941)
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
   10.7472    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9596    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9596    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5348    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3845    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3223    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1099    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8974    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8974    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (942)
944

>  <Formula> (942)
C17H16N4O2S2

>  <MolWeight> (942)
372.46454

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S7302

>  <Name> (942)
TEPP-46 (ML265, CID-44246499, NCGC00186528)

>  <Synonyms> (942)
N/A

>  <Target> (942)
PKM

>  <Form> (942)
Free Base

>  <CAS> (942)
1221186-53-3

>  <URL> (942)
http://www.selleckchem.com/products/tepp-46.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (943)
945

>  <Formula> (943)
C25H21F3N6O3S

>  <MolWeight> (943)
542.5328496

>  <Cat> (943)
S7965

>  <Name> (943)
PLX8394

>  <Synonyms> (943)
N/A

>  <Target> (943)
Raf

>  <Form> (943)
Free Base

>  <CAS> (943)
1393466-87-9

>  <URL> (943)
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> (944)
946

>  <Formula> (944)
C16H20BrN5O

>  <MolWeight> (944)
378.2669

>  <Cat> (944)
S8526

>  <Name> (944)
GDC-0575 (ARRY-575, RG7741)

>  <Synonyms> (944)
N/A

>  <Target> (944)
Chk

>  <Form> (944)
Free Base

>  <CAS> (944)
1196541-47-5

>  <URL> (944)
http://www.selleckchem.com/products/gdc-0575.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (945)
947

>  <Formula> (945)
C24H28N4O3

>  <MolWeight> (945)
420.50412

>  <Cat> (945)
S8556

>  <Name> (945)
AZ31

>  <Synonyms> (945)
N/A

>  <Target> (945)
ATM/ATR

>  <Form> (945)
Free Base

>  <CAS> (945)
2088113-98-6

>  <URL> (945)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (946)
948

>  <Formula> (946)
C23H14ClF3N6O

>  <MolWeight> (946)
482.8450696

>  <Cat> (946)
S8560

>  <Name> (946)
Seletalisib (UCB-5857)

>  <Synonyms> (946)
N/A

>  <Target> (946)
PI3K

>  <Form> (946)
Free Base

>  <CAS> (946)
1362850-20-1

>  <URL> (946)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/09132414022D

 35 39  0  0  0  0  0  0  0  0999 V2000
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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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  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
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 13 14  2  0  0  0  0
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 16 11  1  0  0  0  0
 13 17  1  0  0  0  0
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 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
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 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (947)
949

>  <Formula> (947)
C29H29FN4O

>  <MolWeight> (947)
468.5651632

>  <Cat> (947)
S8609

>  <Name> (947)
Derazantinib(ARQ-087)

>  <Synonyms> (947)
N/A

>  <Target> (947)
FGFR

>  <Form> (947)
Free Base

>  <CAS> (947)
1234356-69-4

>  <URL> (947)
http://www.selleckchem.com/products/derazantinib.html

$$$$

csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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
 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> (948)
950

>  <Formula> (948)
C13H12ClN3O2

>  <MolWeight> (948)
277.70628

>  <Cat> (948)
S8641

>  <Name> (948)
Nec-1s (7-Cl-O-Nec1)

>  <Synonyms> (948)
Necrostatin-1 stable

>  <Target> (948)
TNF-alpha

>  <Form> (948)
Free Base

>  <CAS> (948)
852391-15-2

>  <URL> (948)
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
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    3.3668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
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 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 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> (949)
951

>  <Formula> (949)
C24H18ClN3O3

>  <MolWeight> (949)
431.87102

>  <Cat> (949)
S8654

>  <Name> (949)
ex229 (compound 991)

>  <Synonyms> (949)
N/A

>  <Target> (949)
AMPK

>  <Form> (949)
Free Base

>  <CAS> (949)
1219739-36-2

>  <URL> (949)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/09132414022D

 35 39  0  0  0  0  0  0  0  0999 V2000
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    9.3461    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0146    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4787    2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  7  1  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  9 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 30  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (950)
952

>  <Formula> (950)
C24H23FN8O2

>  <MolWeight> (950)
474.4902232

>  <Cat> (950)
S8679

>  <Name> (950)
BTK inhibitor 1 (Compound 27)

>  <Synonyms> (950)
N/A

>  <Target> (950)
BTK

>  <Form> (950)
Free Base

>  <CAS> (950)
2230724-66-8

>  <URL> (950)
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
    2.8985    7.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    8.6407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    8.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    7.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (951)
953

>  <Formula> (951)
C14H11ClN4S2

>  <MolWeight> (951)
334.84694

>  <Cat> (951)
S8700

>  <Name> (951)
TP0427736 HCl

>  <Synonyms> (951)
N/A

>  <Target> (951)
ALK

>  <Form> (951)
hydrochloride

>  <CAS> (951)
864374-00-5

>  <URL> (951)
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
    4.8974    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3222    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3222    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5347    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7471    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7471    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5347    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9595    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6849    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2288    5.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0517    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6849    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0476    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4517    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1517    8.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1517    5.7876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5517    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2517    7.0000    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
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  8  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (952)
954

>  <Formula> (952)
C28H30FN3O4

>  <MolWeight> (952)
491.5539032

>  <Cat> (952)
S8723

>  <Name> (952)
ABBV-744

>  <Synonyms> (952)
N/A

>  <Target> (952)
Epigenetic Reader Do

>  <Form> (952)
Free Base

>  <CAS> (952)
2138861-99-9

>  <URL> (952)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/09132414022D

 27 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
    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   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
    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 N   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
    7.2746    4.2000    0.0000 N   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
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2492    1.5876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
  8 27  1  0  0  0  0
M  END
>  <Mol_ID> (953)
955

>  <Formula> (953)
C18H18FN5O2S

>  <MolWeight> (953)
387.4312232

>  <Cat> (953)
S8727

>  <Name> (953)
Atuveciclib (BAY-1143572)

>  <Synonyms> (953)
N/A

>  <Target> (953)
CDK

>  <Form> (953)
Free Base

>  <CAS> (953)
1414943-88-6

>  <URL> (953)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   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
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   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
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    6.8895    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1242    7.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4936    8.1496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1874    8.8989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9262    9.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (954)
956

>  <Formula> (954)
C20H16N4O

>  <MolWeight> (954)
328.36724

>  <Cat> (954)
S8729

>  <Name> (954)
AZ32

>  <Synonyms> (954)
N/A

>  <Target> (954)
ATM/ATR

>  <Form> (954)
Free Base

>  <CAS> (954)
No CAS

>  <URL> (954)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/09132414022D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 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
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0870    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  7  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  8  1  0  0  0  0
 14 25  1  0  0  0  0
 12 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (955)
957

>  <Formula> (955)
C17H20F3N7O2

>  <MolWeight> (955)
411.3816096

>  <Cat> (955)
S8738

>  <Name> (955)
Bimiralisib (PQR309)

>  <Synonyms> (955)
N/A

>  <Target> (955)
PI3K

>  <Form> (955)
Free Base

>  <CAS> (955)
1225037-39-7

>  <URL> (955)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/09132414022D

 36 40  0  0  0  0  0  0  0  0999 V2000
    3.6373   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.6000    0.0000 F   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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4 12  1  0  0  0  0
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 15 16  2  0  0  0  0
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 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 18  1  0  0  0  0
 15 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 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (956)
958

>  <Formula> (956)
C26H26FN7O2

>  <MolWeight> (956)
487.5287432

>  <Cat> (956)
S8741

>  <Name> (956)
Avitinib (AC0010)

>  <Synonyms> (956)
N/A

>  <Target> (956)
EGFR

>  <Form> (956)
Free Base

>  <CAS> (956)
1557267-42-1

>  <URL> (956)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/09132414022D

 36 39  0  0  0  0  0  0  0  0999 V2000
    8.4870   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.4000    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
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  2  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  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
 13 16  1  0  0  0  0
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 17 18  2  0  0  0  0
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 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 23  1  0  0  0  0
  6 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (957)
959

>  <Formula> (957)
C25H25F3N4O4

>  <MolWeight> (957)
502.4856096

>  <Cat> (957)
S8745

>  <Name> (957)
LXH254

>  <Synonyms> (957)
N/A

>  <Target> (957)
Raf

>  <Form> (957)
Free Base

>  <CAS> (957)
1800398-38-2

>  <URL> (957)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/09132414022D

 26 30  0  0  0  0  0  0  0  0999 V2000
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    6.2489    5.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 20 16  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (958)
960

>  <Formula> (958)
C22H18N4

>  <MolWeight> (958)
338.40512

>  <Cat> (958)
S8749

>  <Name> (958)
MBQ-167

>  <Synonyms> (958)
N/A

>  <Target> (958)
Rho

>  <Form> (958)
Free Base

>  <CAS> (958)
2097938-73-1

>  <URL> (958)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/09132414022D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4938    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1311    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7684    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 13  8  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17 11  1  0  0  0  0
 14 18  1  0  0  0  0
 19 18  1  6  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 19  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
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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> (959)
961

>  <Formula> (959)
C21H25F3N6O2

>  <MolWeight> (959)
450.4574096

>  <Cat> (959)
S8752

>  <Name> (959)
leniolisib(CDZ 173)

>  <Synonyms> (959)
N/A

>  <Target> (959)
PI3K

>  <Form> (959)
Free Base

>  <CAS> (959)
1354690-24-6

>  <URL> (959)
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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 21 16  1  0  0  0  0
 11 22  2  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
 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> (960)
962

>  <Formula> (960)
C19H15N3O6S

>  <MolWeight> (960)
413.4039

>  <Cat> (960)
S8754

>  <Name> (960)
Alofanib(RPT835)

>  <Synonyms> (960)
N/A

>  <Target> (960)
FGFR

>  <Form> (960)
Free Base

>  <CAS> (960)
1612888-66-0

>  <URL> (960)
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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M  END
>  <Mol_ID> (961)
963

>  <Formula> (961)
C24H21BrFN5O2

>  <MolWeight> (961)
510.3582432

>  <Cat> (961)
S8757

>  <Name> (961)
Ripretinib (DCC-2618)

>  <Synonyms> (961)
N/A

>  <Target> (961)
c-Kit

>  <Form> (961)
Free Base

>  <CAS> (961)
1442472-39-0

>  <URL> (961)
http://www.selleckchem.com/products/ripretinib-dcc-2618.html

$$$$

csChFnd80/09132414022D

 36 41  0  0  0  0  0  0  0  0999 V2000
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 26  7  1  0  0  0  0
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 35 30  1  0  0  0  0
 14 36  1  0  0  0  0
M  END
>  <Mol_ID> (962)
964

>  <Formula> (962)
C26H23FN8O

>  <MolWeight> (962)
482.5122232

>  <Cat> (962)
S8764

>  <Name> (962)
IITZ-01

>  <Synonyms> (962)
N/A

>  <Target> (962)
Autophagy

>  <Form> (962)
Free Base

>  <CAS> (962)
1807988-47-1

>  <URL> (962)
http://www.selleckchem.com/products/iitz-01.html

$$$$
S9023 20S-Ginsenoside Rh2.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (963)
965

>  <Formula> (963)
C36H62O8

>  <MolWeight> (963)
622.87268

>  <Cat> (963)
S9023

>  <Name> (963)
20S-Ginsenoside Rh2

>  <Form> (963)
free base

>  <CAS> (963)
78214-33-2

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (964)
966

>  <Formula> (964)
C38H46O8

>  <MolWeight> (964)
630.76704

>  <Cat> (964)
S9031

>  <Name> (964)
Gambogenic acid

>  <Form> (964)
free base

>  <CAS> (964)
173932-75-7

$$$$
S9071 Nootkatone.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (965)
967

>  <Formula> (965)
C15H22O

>  <MolWeight> (965)
218.33458

>  <Cat> (965)
S9071

>  <Name> (965)
Nootkatone

>  <Form> (965)
free base

>  <CAS> (965)
4674-50-4

$$$$
S9075 Mulberroside A.cdx
csChFnd80/09132414022D

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   20.6117    5.5998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.8242    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6117    4.1998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.8242    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3992    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 13 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  2  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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 23 28  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  6  0  0  0
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 37 39  1  1  0  0  0
 39 40  1  0  0  0  0
 30 38  1  0  0  0  0
 30 29  1  1  0  0  0
 25 29  1  0  0  0  0
 21 22  1  0  0  0  0
 15 20  1  0  0  0  0
  1 13  1  0  0  0  0
M  END
>  <Mol_ID> (966)
968

>  <Formula> (966)
C26H32O14

>  <MolWeight> (966)
568.52388

>  <Cat> (966)
S9075

>  <Name> (966)
Mulberroside A

>  <Form> (966)
free base

>  <CAS> (966)
102841-42-9

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/09132414022D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
  1  2  2  0  0  0  0
  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
  3 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 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
  1 22  1  0  0  0  0
  6 23  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (967)
969

>  <Formula> (967)
C21H20O6

>  <MolWeight> (967)
368.3799

>  <Cat> (967)
S9080

>  <Name> (967)
Anhydroicaritin

>  <Form> (967)
free base

>  <CAS> (967)
118525-40-9

$$$$
S9084 Rhoifolin.cdx
csChFnd80/09132414022D

 41 45  0  0  0  0  0  0  0  0999 V2000
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1865    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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
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 17 14  1  1  0  0  0
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 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 27 23  1  1  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
 27 31  1  0  0  0  0
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 35 39  1  6  0  0  0
 37 40  1  6  0  0  0
 37 38  1  0  0  0  0
 38 41  1  1  0  0  0
M  END
>  <Mol_ID> (968)
970

>  <Formula> (968)
C27H30O14

>  <MolWeight> (968)
578.5187

>  <Cat> (968)
S9084

>  <Name> (968)
Rhoifolin

>  <Form> (968)
free base

>  <CAS> (968)
17306-46-6

$$$$
S9092 Norisoboldine.cdx
csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.8494    2.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    3.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8317    1.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2564    1.3999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0882    4.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4952    3.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3093    5.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
 12  4  1  0  0  0  0
 14  5  1  0  0  0  0
  5 24  1  6  0  0  0
 10  5  1  0  0  0  0
  9  6  1  0  0  0  0
 16  6  1  0  0  0  0
 21  7  1  0  0  0  0
 11  7  1  0  0  0  0
 13  8  2  0  0  0  0
 11  9  2  0  0  0  0
 17  9  1  0  0  0  0
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 22 17  1  0  0  0  0
 18 21  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (969)
971

>  <Formula> (969)
C18H19NO4

>  <MolWeight> (969)
313.34776

>  <Cat> (969)
S9092

>  <Name> (969)
Norisoboldine

>  <Form> (969)
free base

>  <CAS> (969)
23599-69-1

$$$$
S9100 Fraxinellone.cdx
csChFnd80/09132414022D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4309    3.5126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7621    3.9416    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    3.4907    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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 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (970)
972

>  <Formula> (970)
C14H16O3

>  <MolWeight> (970)
232.27504

>  <Cat> (970)
S9100

>  <Name> (970)
Fraxinellone

>  <Form> (970)
free base

>  <CAS> (970)
28808-62-0

$$$$

csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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$$$$
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>  <CAS> (973)
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$$$$
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>  <CAS> (974)
480-19-3

$$$$
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csChFnd80/09132414022D

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>  <Cat> (975)
S9112

>  <Name> (975)
Kaempferitrin

>  <Form> (975)
free base

>  <CAS> (975)
482-38-2

$$$$
S9114 Polyphyllin I.cdx
csChFnd80/09132414022D

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>  <Form> (976)
free base

>  <CAS> (976)
50773-41-6

$$$$
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csChFnd80/09132414022D

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208.25364

>  <Cat> (977)
S9118

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Beta-Asarone

>  <Form> (977)
free base

>  <CAS> (977)
5273-86-9

$$$$
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csChFnd80/09132414022D

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M  END
>  <Mol_ID> (978)
980

>  <Formula> (978)
C15H10O6

>  <MolWeight> (978)
286.2363

>  <Cat> (978)
S9120

>  <Name> (978)
Scutellarein

>  <CAS> (978)
529-53-3

$$$$
S9127 Carnosol.cdx
csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (979)
981

>  <Formula> (979)
C20H26O4

>  <MolWeight> (979)
330.41804

>  <Cat> (979)
S9127

>  <Name> (979)
Carnosol

>  <Form> (979)
free base

>  <CAS> (979)
5957-80-2

$$$$
S9141 Berbamine.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (980)
982

>  <Formula> (980)
C37H40N2O6

>  <MolWeight> (980)
608.7233

>  <Cat> (980)
S9141

>  <Name> (980)
Berbamine

>  <Form> (980)
free base

>  <CAS> (980)
478-61-5

$$$$
S9152 Epiberberine.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (981)
983

>  <Formula> (981)
C20H18NO4+

>  <MolWeight> (981)
336.36122

>  <Cat> (981)
S9152

>  <Name> (981)
Epiberberine

>  <Form> (981)
free base

>  <CAS> (981)
1816598

$$$$
S9159 Momordin Ic.cdx
csChFnd80/09132414022D

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984

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>  <MolWeight> (982)
764.93906

>  <Cat> (982)
S9159

>  <Name> (982)
Momordin Ic

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free base

>  <CAS> (982)
96990-18-0

$$$$
S9162 Rubimaillin.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (983)
985

>  <Formula> (983)
C17H16O4

>  <MolWeight> (983)
284.30654

>  <Cat> (983)
S9162

>  <Name> (983)
Rubimaillin

>  <CAS> (983)
55481-88-4

$$$$
S9172 Phellodendrine.cdx
csChFnd80/09132414022D

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986

>  <Formula> (984)
C20H24NO4+

>  <MolWeight> (984)
342.40886

>  <Cat> (984)
S9172

>  <Name> (984)
Phellodendrine

>  <Form> (984)
free base

>  <CAS> (984)
6873-13-8

$$$$
S9184 Forsythoside B.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (985)
987

>  <Formula> (985)
C34H44O19

>  <MolWeight> (985)
756.70176

>  <Cat> (985)
S9184

>  <Name> (985)
Forsythoside B

>  <Form> (985)
free base

>  <CAS> (985)
81525-13-5

$$$$
S9190 Oroxin B.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (986)
988

>  <Formula> (986)
C27H30O15

>  <MolWeight> (986)
594.5181

>  <Cat> (986)
S9190

>  <Name> (986)
Oroxin B

>  <Form> (986)
free base

>  <CAS> (986)
114482-86-9

$$$$

csChFnd80/09132414022D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (987)
989

>  <Formula> (987)
C16H11N3O2

>  <MolWeight> (987)
277.27744

>  <Cat> (987)
S2009

>  <Name> (987)
Indirubin-3'-monoxime

>  <Synonyms> (987)
Indirubin-3'-oxime

>  <Target> (987)
CDK

>  <Form> (987)
Free Base

>  <CAS> (987)
160807-49-8

>  <URL> (987)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (988)
990

>  <Formula> (988)
C20H20N4O3S

>  <MolWeight> (988)
396.4628

>  <Cat> (988)
S2039

>  <Name> (988)
IRAK inhibitor 6

>  <Synonyms> (988)
N/A

>  <Target> (988)
IL Receptor

>  <Form> (988)
Free Base

>  <CAS> (988)
1042672-97-8

>  <URL> (988)
http://www.selleck.cn/products/irak-inhibitor-6.html

$$$$
S9230 Vaccarin.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (989)
991

>  <Formula> (989)
C32H38O19

>  <MolWeight> (989)
726.63272

>  <Cat> (989)
S9230

>  <Name> (989)
Vaccarin

>  <Form> (989)
free base

>  <CAS> (989)
53452-16-7

$$$$
S9240 Isofraxidin.cdx
csChFnd80/09132414022D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (990)
992

>  <Formula> (990)
C11H10O5

>  <MolWeight> (990)
222.1941

>  <Cat> (990)
S9240

>  <Name> (990)
Isofraxidin

>  <Form> (990)
free base

>  <CAS> (990)
486-21-5

$$$$
S9242 Narirutin.cdx
csChFnd80/09132414022D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (991)
993

>  <Formula> (991)
C27H32O14

>  <MolWeight> (991)
580.53458

>  <Cat> (991)
S9242

>  <Name> (991)
Narirutin

>  <Form> (991)
free base

>  <CAS> (991)
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> (992)
994

>  <Formula> (992)
C10H13N5O5

>  <MolWeight> (992)
283.24072

>  <Cat> (992)
S9275

>  <Name> (992)
Isoguanosine

>  <Form> (992)
free base

>  <CAS> (992)
1818-71-9

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (993)
995

>  <Formula> (993)
C19H21N3O2S

>  <MolWeight> (993)
355.45394

>  <Cat> (993)
S2070

>  <Name> (993)
ISCK03

>  <Synonyms> (993)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (993)
c-Kit

>  <Form> (993)
Free Base

>  <CAS> (993)
945526-43-2

>  <URL> (993)
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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   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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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  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
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 11 15  1  0  0  0  0
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 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
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 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (994)
996

>  <Formula> (994)
C19H18O8

>  <MolWeight> (994)
374.34142

>  <Cat> (994)
S9288

>  <Name> (994)
Casticin

>  <Form> (994)
free base

>  <CAS> (994)
479-91-4

$$$$
S9314 Atractylenolide II.cdx
csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8437    2.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6327    3.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6327    0.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    3.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  8  1  1  0  0  0  0
  2  3  1  0  0  0  0
 11  2  2  0  0  0  0
  2  5  1  0  0  0  0
 14  3  1  0  0  0  0
  5  4  1  0  0  0  0
  9  4  1  0  0  0  0
  4 19  1  6  0  0  0
  6  7  1  0  0  0  0
 13  6  1  0  0  0  0
  6 15  1  6  0  0  0
  9  6  1  0  0  0  0
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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> (995)
997

>  <Formula> (995)
C15H20O2

>  <MolWeight> (995)
232.3181

>  <Cat> (995)
S9314

>  <Name> (995)
Atractylenolide II

>  <Form> (995)
free base

>  <CAS> (995)
73069-14-4

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/09132414022D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8789    2.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8807    4.2433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6534    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3067    2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  4 10  1  0  0  0  0
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  7 15  1  0  0  0  0
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 10 14  2  0  0  0  0
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 16 22  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (996)
998

>  <Formula> (996)
C21H22O7

>  <MolWeight> (996)
386.39518

>  <Cat> (996)
S9315

>  <Name> (996)
Praeruptorin A

>  <Form> (996)
free base

>  <CAS> (996)
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
    3.6391    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4322    2.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0677    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2180    2.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    0.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0640    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0128    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
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  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 11  2  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (997)
999

>  <Formula> (997)
C9H6O3

>  <MolWeight> (997)
162.14214

>  <Cat> (997)
S5548

>  <Name> (997)
7-Hydroxy-4-chromone

>  <Target> (997)
Src

>  <Form> (997)
free base

>  <CAS> (997)
59887-89-7

>  <URL> (997)
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
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  5  1  0  0  0  0
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M  END
>  <Mol_ID> (998)
1000

>  <Formula> (998)
C14H28O2

>  <MolWeight> (998)
228.37092

>  <Cat> (998)
S5617

>  <Name> (998)
Myristic Acid

>  <Form> (998)
free base

>  <CAS> (998)
544-63-8

$$$$
S9041 Corosolic acid.cdx
csChFnd80/09132414022D

 37 41  0  0  0  0  0  0  0  0999 V2000
    7.2808    5.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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S9035 Isovitexin.cdx
csChFnd80/09132414022D

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$$$$
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>  <Formula> (1,002)
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>  <MolWeight> (1,002)
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>  <Cat> (1,002)
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>  <Name> (1,002)
20S-Ginsenoside Rg3

>  <Form> (1,002)
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>  <CAS> (1,002)
14197-60-5

$$$$

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M  END
>  <Mol_ID> (1,003)
1005

>  <Formula> (1,003)
C16H14N2O2

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>  <Cat> (1,003)
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RG 13022

>  <Synonyms> (1,003)
Tyrphostin RG13022

>  <Target> (1,003)
EGFR

>  <Form> (1,003)
Free Base

>  <CAS> (1,003)
136831-48-6

>  <URL> (1,003)
http://www.selleck.cn/products/rg-13022.html

$$$$
S9359 Anthraquinone-2-carboxylic Acid.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,004)
1006

>  <Formula> (1,004)
C15H8O4

>  <MolWeight> (1,004)
252.22162

>  <Cat> (1,004)
S9359

>  <Name> (1,004)
Anthraquinone-2-carboxylic Acid

>  <Form> (1,004)
free base

>  <CAS> (1,004)
117-78-2

$$$$
S9376 Benzylacetone.cdx
csChFnd80/09132414022D

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>  <Mol_ID> (1,005)
1007

>  <Formula> (1,005)
C10H12O

>  <MolWeight> (1,005)
148.20168

>  <Cat> (1,005)
S9376

>  <Name> (1,005)
Benzylacetone

>  <Form> (1,005)
free base

>  <CAS> (1,005)
2550-26-7

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,006)
1008

>  <Formula> (1,006)
C43H44ClFN4O11S3

>  <MolWeight> (1,006)
943.4760632

>  <Cat> (1,006)
S5241

>  <Name> (1,006)
Lapatinib ditosylate monohydrate

>  <Synonyms> (1,006)
Tykerb Ditosylate

>  <Target> (1,006)
Others

>  <Form> (1,006)
ditosylate monohydrate

>  <CAS> (1,006)
388082-78-8

>  <URL> (1,006)
http://selleckchem.com/products/.html

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/09132414022D

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>  <Name> (1,007)
Dasatinib hydrochloride

>  <Synonyms> (1,007)
BMS 354825 hydrochloride

>  <Target> (1,007)
Abl/Src

>  <Form> (1,007)
hydrochloride 

>  <CAS> (1,007)
854001-07-3

>  <URL> (1,007)
http://selleckchem.com/products/.html

$$$$
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>  <MolWeight> (1,008)
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>  <Name> (1,008)
Abemaciclib

>  <Synonyms> (1,008)
LY2835219

>  <Target> (1,008)
CDK

>  <Form> (1,008)
free base

>  <CAS> (1,008)
1231929-97-7 

>  <URL> (1,008)
http://selleckchem.com/products/abemaciclib.html

$$$$
S5667 Fruquintinib.cdx
csChFnd80/09132414022D

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>  <Formula> (1,009)
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>  <Cat> (1,009)
S5667

>  <Name> (1,009)
Fruquintinib

>  <Target> (1,009)
VEGFRs

>  <CAS> (1,009)
1194506-26-7

>  <URL> (1,009)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,010)
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>  <Formula> (1,010)
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>  <MolWeight> (1,010)
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>  <Cat> (1,010)
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>  <Name> (1,010)
Alectinib (CH5424802)

>  <Synonyms> (1,010)
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>  <Target> (1,010)
ALK

>  <Form> (1,010)
Free Base

>  <CAS> (1,010)
1256580-46-7

>  <URL> (1,010)
http://www.selleckchem.com/products/ch5424802.html

$$$$

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 13  7  1  0  0  0  0
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  9 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 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> (1,011)
1013

>  <Formula> (1,011)
C29H37N7O5S

>  <MolWeight> (1,011)
595.71298

>  <Cat> (1,011)
S5078

>  <Name> (1,011)
Osimertinib mesylate

>  <Synonyms> (1,011)
AZD9291 mesylate

>  <Target> (1,011)
EGFR

>  <Form> (1,011)
mesylate

>  <CAS> (1,011)
1421373-66-1

>  <URL> (1,011)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/09132414022D

 27 30  0  0  0  0  0  0  0  0999 V2000
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   15.7080    4.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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  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> (1,012)
1014

>  <Formula> (1,012)
C19H17N4NaO2S

>  <MolWeight> (1,012)
388.41865

>  <Cat> (1,012)
S5502

>  <Name> (1,012)
Ilaprazole sodium

>  <Synonyms> (1,012)
IY-81149 sodium

>  <Target> (1,012)
Proton Pump

>  <Form> (1,012)
Sodium Salt

>  <CAS> (1,012)
172152-50-0

>  <URL> (1,012)
http://www.selleckchem.com/products/iiaprazole-sodium.html

$$$$

csChFnd80/09132414022D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  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
  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> (1,013)
1015

>  <Formula> (1,013)
C16H21Cl2N3

>  <MolWeight> (1,013)
326.26404

>  <Cat> (1,013)
S5670

>  <Name> (1,013)
Chloropyramine hydrochloride

>  <Synonyms> (1,013)
Halopyramine hydrochloride

>  <Target> (1,013)
Histamine Receptor

>  <Form> (1,013)
hydrochloride

>  <CAS> (1,013)
6170-42-9

>  <URL> (1,013)
http://www.selleckchem.com/products/chloropyramine-hydrochloride.html

$$$$

csChFnd80/09132414022D

 31 33  0  0  0  0  0  0  0  0999 V2000
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    4.5166    8.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1285    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
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  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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  8 12  1  0  0  0  0
 13 14  2  0  0  0  0
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 20 21  2  0  0  0  0
 19 21  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  6  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  4 22  1  0  0  0  0
  2  6  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,014)
1016

>  <Formula> (1,014)
C16H20N7O6PS

>  <MolWeight> (1,014)
469.412061

>  <Cat> (1,014)
S5754

>  <Name> (1,014)
Baricitinib phosphate

>  <Synonyms> (1,014)
INCB-028050 phosphate, LY-3009104 phosphate 

>  <Target> (1,014)
JAK

>  <Form> (1,014)
phosphate

>  <CAS> (1,014)
1187595-84-1

>  <URL> (1,014)
http://www.selleckchem.com/products/baricitinib-phosphate.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
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    8.3688    3.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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TGF-beta/Smad

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Free Base

>  <CAS> (1,019)
1898283-02-7

>  <URL> (1,019)
http://www.selleckchem.com/products/ly3200882.html

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csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,020)
1022

>  <Formula> (1,020)
C24H24N4O

>  <MolWeight> (1,020)
384.47356

>  <Cat> (1,020)
S8775

>  <Name> (1,020)
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>  <Synonyms> (1,020)
N/A

>  <Target> (1,020)
Serine/threonin kina

>  <Form> (1,020)
Free Base

>  <CAS> (1,020)
2158197-70-5

>  <URL> (1,020)
http://www.selleckchem.com/products/hs-1371.html

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csChFnd80/09132414022D

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>  <Formula> (1,021)
C25H27N5O2

>  <MolWeight> (1,021)
429.51418

>  <Cat> (1,021)
S8777

>  <Name> (1,021)
Evobrutinib

>  <Synonyms> (1,021)
M-2951, MSC-2364447C

>  <Target> (1,021)
BTK

>  <Form> (1,021)
Free Base

>  <CAS> (1,021)
1415823-73-2

>  <URL> (1,021)
http://www.selleckchem.com/products/evobrutinib.html

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csChFnd80/09132414022D

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>  <Formula> (1,022)
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>  <MolWeight> (1,022)
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>  <Cat> (1,022)
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CC-90003

>  <Synonyms> (1,022)
N/A

>  <Target> (1,022)
ERK

>  <Form> (1,022)
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>  <CAS> (1,022)
1621999-82-3

>  <URL> (1,022)
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 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 17  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 26  1  0  0  0  0
 21 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 24 27  1  0  0  0  0
 18 21  1  0  0  0  0
 19 33  1  0  0  0  0
 11 12  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,023)
1025

>  <Formula> (1,023)
C27H19ClN2O3

>  <MolWeight> (1,023)
454.90436

>  <Cat> (1,023)
S8803

>  <Name> (1,023)
MK-3903

>  <Synonyms> (1,023)
N/A

>  <Target> (1,023)
AMPK

>  <Form> (1,023)
Free Base

>  <CAS> (1,023)
1219737-12-8

>  <URL> (1,023)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/09132414022D

 44 48  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0  0  0  0
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 18 19  1  0  0  0  0
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 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> (1,024)
1026

>  <Formula> (1,024)
C28H32O16

>  <MolWeight> (1,024)
624.54408

>  <Cat> (1,024)
S9455

>  <Name> (1,024)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (1,024)
N/A

>  <Target> (1,024)
Others

>  <Form> (1,024)
Free Base

>  <CAS> (1,024)
55033-90-4

>  <URL> (1,024)
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
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 11  1  1  0  0  0  0
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 20  4  1  0  0  0  0
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 13  5  1  0  0  0  0
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 10  6  1  0  0  0  0
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  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
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 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
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 18 30  1  6  0  0  0
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 27 20  1  0  0  0  0
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 25 34  1  1  0  0  0
 36 28  1  0  0  0  0
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M  END
>  <Mol_ID> (1,025)
1027

>  <Formula> (1,025)
C30H48O5

>  <MolWeight> (1,025)
488.69912

>  <Cat> (1,025)
S9514

>  <Name> (1,025)
Rotundic acid

>  <Synonyms> (1,025)
Rutundic acid

>  <Target> (1,025)
Others

>  <Form> (1,025)
Free Base

>  <CAS> (1,025)
20137-37-5

>  <URL> (1,025)
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
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  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> (1,026)
1028

>  <Formula> (1,026)
C17H16O5

>  <MolWeight> (1,026)
300.30594

>  <Cat> (1,026)
S9552

>  <Name> (1,026)
Farrerol

>  <Synonyms> (1,026)
N/A

>  <Target> (1,026)
Others

>  <Form> (1,026)
Free Base

>  <CAS> (1,026)
24211-30-1

>  <URL> (1,026)
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
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    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
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  9 13  2  0  0  0  0
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 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,027)
1029

>  <Formula> (1,027)
C10H8O5

>  <MolWeight> (1,027)
208.16752

>  <Cat> (1,027)
S9503

>  <Name> (1,027)
Fraxetin

>  <Synonyms> (1,027)
7,8-dihydroxy-6-methoxy coumarin

>  <Target> (1,027)
Others

>  <Form> (1,027)
free base

>  <CAS> (1,027)
574-84-5

>  <URL> (1,027)
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> (1,028)
1030

>  <Formula> (1,028)
C10H10O2

>  <MolWeight> (1,028)
162.1852

>  <Cat> (1,028)
S6221

>  <Name> (1,028)
Methyl cinnamate

>  <Synonyms> (1,028)
N/A

>  <Target> (1,028)
Others

>  <Form> (1,028)
free base

>  <CAS> (1,028)
103-26-4

>  <URL> (1,028)
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> (1,029)
1031

>  <Formula> (1,029)
C7H9N5

>  <MolWeight> (1,029)
163.17986

>  <Cat> (1,029)
S6088

>  <Name> (1,029)
6-(Dimethylamino)purine

>  <Synonyms> (1,029)
N,N-Dimethyladenine

>  <Target> (1,029)
Serine/threonin kina

>  <Form> (1,029)
free base

>  <CAS> (1,029)
938-55-6

>  <URL> (1,029)
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
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,030)
1032

>  <Formula> (1,030)
C9H10O4

>  <MolWeight> (1,030)
182.1733

>  <Cat> (1,030)
S6338

>  <Name> (1,030)
3,4-Dihydroxyhydrocinnamic acid

>  <Synonyms> (1,030)
Dihydrocaffeic acid

>  <Target> (1,030)
Others

>  <Form> (1,030)
free base

>  <CAS> (1,030)
1078-61-1

>  <URL> (1,030)
http://www.selleck.cn/products/3-4-dihydroxyhydrocinnamic-acid.html

$$$$

csChFnd80/09132414022D

 38 43  0  0  0  0  0  0  0  0999 V2000
    4.6406    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    8.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    6.0932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2199    7.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    8.3584    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    8.6258    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    8.4953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    6.5335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    4.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    3.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    4.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    5.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0777    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3839    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8165    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8798    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6199    7.2258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3199    6.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6199    4.8010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7199    6.0134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4199    4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8199    4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5199    3.5885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8199    2.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5199    1.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9199    1.1636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6199    2.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9199    3.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3207    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
>  <Mol_ID> (1,031)
1033

>  <Formula> (1,031)
C25H23FN8O2S2

>  <MolWeight> (1,031)
550.6309232

>  <Cat> (1,031)
S7564

>  <Name> (1,031)
SAR125844

>  <Synonyms> (1,031)
N/A

>  <Target> (1,031)
c-Met

>  <Form> (1,031)
free base

>  <CAS> (1,031)
1116743-46-4

>  <URL> (1,031)
http://www.selleck.cn/products/sar125844.html

$$$$

csChFnd80/09132414022D

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    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
    1.2124    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  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  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
 14 18  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 24  1  0  0  0  0
 24 19  2  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 21  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
 33 34  3  0  0  0  0
M  END
>  <Mol_ID> (1,032)
1034

>  <Formula> (1,032)
C27H25N5O2

>  <MolWeight> (1,032)
451.5197

>  <Cat> (1,032)
S8755

>  <Name> (1,032)
AZ304

>  <Synonyms> (1,032)
N/A

>  <Target> (1,032)
Raf

>  <Form> (1,032)
free base

>  <CAS> (1,032)
942507-42-8

>  <URL> (1,032)
http://www.selleck.cn/products/az304.html

$$$$

csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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
    2.4249    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7772    4.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    5.8899    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,037)
1039

>  <Formula> (1,037)
C27H24F3N5O2

>  <MolWeight> (1,037)
507.5069696

>  <Cat> (1,037)
S8810

>  <Name> (1,037)
SPHINX31

>  <Synonyms> (1,037)
N/A

>  <Target> (1,037)
Serine/threonin kina

>  <Form> (1,037)
free base

>  <CAS> (1,037)
1818389-84-2

>  <URL> (1,037)
http://www.selleck.cn/products/sphinx31.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,038)
1040

>  <Formula> (1,038)
C52H54N4O12

>  <MolWeight> (1,038)
927.00476

>  <Cat> (1,038)
S6201

>  <Name> (1,038)
Malachite green

>  <Synonyms> (1,038)
Aniline green, Basic green 4, Diamond green B, Victoria green B

>  <Target> (1,038)
Others

>  <Form> (1,038)
free base

>  <CAS> (1,038)
2437-29-8

>  <URL> (1,038)
http://www.selleck.cn/products/malachite-green.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,039)
1041

>  <Formula> (1,039)
C21H19ClNO4+

>  <MolWeight> (1,039)
384.83286

>  <Cat> (1,039)
S1292

>  <Name> (1,039)
Chelerythrine Chloride

>  <Synonyms> (1,039)
N/A

>  <Target> (1,039)
PKC

>  <Form> (1,039)
Chloride

>  <CAS> (1,039)
3895-92-9

>  <URL> (1,039)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/09132414022D

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FGFR

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872511-34-7

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PF-841

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JAK

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Free Base

>  <CAS> (1,041)
1883299-62-4

>  <URL> (1,041)
http://www.selleck.cn/products/pf-06700841.html

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csChFnd80/09132414022D

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N/A

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EGFR

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Free Base

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1899921-05-1

>  <URL> (1,042)
http://www.selleck.cn/products/hs-10296.html

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csChFnd80/09132414022D

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>  <Synonyms> (1,043)
N/A

>  <Target> (1,043)
c-RET

>  <Form> (1,043)
Free Base

>  <CAS> (1,043)
1627856-64-7

>  <URL> (1,043)
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csChFnd80/09132414022D

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>  <Formula> (1,044)
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S8840

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CDK

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1609522-33-9

>  <URL> (1,044)
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C19H17N3O

>  <MolWeight> (1,045)
303.35778

>  <Cat> (1,045)
S2382

>  <Name> (1,045)
Evodiamine

>  <Synonyms> (1,045)
Isoevodiamine

>  <Target> (1,045)
NF-¦ÊB

>  <Form> (1,045)
Free Base

>  <CAS> (1,045)
518-17-2

>  <URL> (1,045)
http://www.selleck.cn/products/Evodiamine(Isoevodiamine).html

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csChFnd80/09132414022D

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>  <Formula> (1,046)
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>  <MolWeight> (1,046)
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>  <Cat> (1,046)
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N/A

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Epigenetic Reader Do

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Free Base

>  <CAS> (1,046)
1300031-49-5

>  <URL> (1,046)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

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csChFnd80/09132414022D

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>  <Mol_ID> (1,047)
1049

>  <Formula> (1,047)
C7H9ClN2

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S4956

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Benzamidine HCl

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N/A

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Serine/threonin kina

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HCl

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1670-14-0

>  <URL> (1,047)
http://www.selleck.cn/products/benzamidine-hcl.html

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csChFnd80/09132414022D

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>  <Formula> (1,048)
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>  <MolWeight> (1,048)
418.49154

>  <Cat> (1,048)
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>  <Name> (1,048)
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>  <Synonyms> (1,048)
STA-5326

>  <Target> (1,048)
PI3K

>  <Form> (1,048)
Free Base

>  <CAS> (1,048)
541550-19-0

>  <URL> (1,048)
http://www.selleck.cn/products/apilimod.html

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193620-69-8

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>  <Mol_ID> (1,053)
1055

>  <Formula> (1,053)
C29H39ClN7O2P

>  <MolWeight> (1,053)
584.092421

>  <Cat> (1,053)
S8229

>  <Name> (1,053)
Brigatinib (AP26113)

>  <Synonyms> (1,053)
N/A

>  <Target> (1,053)
ALK

>  <Form> (1,053)
Free Base

>  <CAS> (1,053)
1197953-54-0

>  <URL> (1,053)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,054)
1056

>  <Formula> (1,054)
C19H18N4O3

>  <MolWeight> (1,054)
350.37122

>  <Cat> (1,054)
S8684

>  <Name> (1,054)
Selective JAK3 inhibitor 1

>  <Synonyms> (1,054)
N/A

>  <Target> (1,054)
JAK

>  <Form> (1,054)
Free Base

>  <CAS> (1,054)
1443235-95-7

>  <URL> (1,054)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/09132414022D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,055)
1057

>  <Formula> (1,055)
C23H20FN7O

>  <MolWeight> (1,055)
429.4496032

>  <Cat> (1,055)
S8693

>  <Name> (1,055)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (1,055)
N/A

>  <Target> (1,055)
PI3K

>  <Form> (1,055)
Free Base

>  <CAS> (1,055)
2088525-31-7

>  <URL> (1,055)
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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>  <Mol_ID> (1,056)
1058

>  <Formula> (1,056)
C37H41N9O3S

>  <MolWeight> (1,056)
691.84494

>  <Cat> (1,056)
S8701

>  <Name> (1,056)
MK-8353 (SCH900353)

>  <Synonyms> (1,056)
N/A

>  <Target> (1,056)
ERK

>  <Form> (1,056)
Free Base

>  <CAS> (1,056)
1184173-73-6

>  <URL> (1,056)
http://www.selleck.cn/products/mk-8353-sch900353.html

$$$$

csChFnd80/09132414022D

 26 30  0  0  0  0  0  0  0  0999 V2000
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N/A

>  <Target> (1,057)
Epigenetic Reader Do

>  <Form> (1,057)
Free Base

>  <CAS> (1,057)
1628607-64-6

>  <URL> (1,057)
http://www.selleck.cn/products/incb054329.html

$$$$

csChFnd80/09132414022D

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1060

>  <Formula> (1,058)
C32H31N3O5S

>  <MolWeight> (1,058)
569.67064

>  <Cat> (1,058)
S8788

>  <Name> (1,058)
CH7057288

>  <Synonyms> (1,058)
N/A

>  <Target> (1,058)
Trk receptor

>  <Form> (1,058)
Free Base

>  <CAS> (1,058)
2095616-82-1

>  <URL> (1,058)
http://www.selleck.cn/products/ch7057288.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,059)
1061

>  <Formula> (1,059)
C27H29N5O3

>  <MolWeight> (1,059)
471.55086

>  <Cat> (1,059)
S8791

>  <Name> (1,059)
Zanubrutinib (BGB-3111)

>  <Synonyms> (1,059)
N/A

>  <Target> (1,059)
BTK

>  <Form> (1,059)
Free Base

>  <CAS> (1,059)
1691249-45-2

>  <URL> (1,059)
http://www.selleck.cn/products/zanubrutini-bgb-3111.html

$$$$

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 14 15  1  0  0  0  0
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 22 24  2  0  0  0  0
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 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
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 26 30  1  0  0  0  0
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 26 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,060)
1062

>  <Formula> (1,060)
C22H16F4N4OS

>  <MolWeight> (1,060)
460.4472528

>  <Cat> (1,060)
S8793

>  <Name> (1,060)
ULK-101

>  <Synonyms> (1,060)
N/A

>  <Target> (1,060)
Autophagy

>  <Form> (1,060)
Free Base

>  <CAS> (1,060)
no cas

>  <URL> (1,060)
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
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    6.6338    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (1,061)
1063

>  <Formula> (1,061)
C14H14ClFN8

>  <MolWeight> (1,061)
348.7659632

>  <Cat> (1,061)
S2162

>  <Name> (1,061)
AZD1480

>  <Synonyms> (1,061)
N/A

>  <Target> (1,061)
JAK

>  <Form> (1,061)
free base

>  <CAS> (1,061)
935666-88-9

>  <URL> (1,061)
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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 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
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 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 21  1  0  0  0  0
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 22 17  1  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 34  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
>  <Mol_ID> (1,062)
1064

>  <Formula> (1,062)
C26H21F3N4O4

>  <MolWeight> (1,062)
510.4645496

>  <Cat> (1,062)
S6412

>  <Name> (1,062)
Altiratinib

>  <Synonyms> (1,062)
DCC-2701

>  <Target> (1,062)
Trk receptor

>  <Form> (1,062)
free base

>  <CAS> (1,062)
1345847-93-9

>  <URL> (1,062)
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
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    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
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    4.1972    1.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,063)
1065

>  <Formula> (1,063)
C12H12O2

>  <MolWeight> (1,063)
188.22248

>  <Cat> (1,063)
S6493

>  <Name> (1,063)
n-Butylidenephthalide

>  <Synonyms> (1,063)
N/A

>  <Target> (1,063)
Others

>  <Form> (1,063)
free base

>  <CAS> (1,063)
551-08-6

>  <URL> (1,063)
http://www.selleck.cn/products/n-butylidenephthalide.html

$$$$

csChFnd80/09132414022D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  2  5  1  0  0  0  0
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  7  8  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 14  3  0  0  0  0
M  END
>  <Mol_ID> (1,064)
1066

>  <Formula> (1,064)
C9H5ClN4

>  <MolWeight> (1,064)
204.6158

>  <Cat> (1,064)
S6494

>  <Name> (1,064)
CCCP

>  <Synonyms> (1,064)
Carbonyl cyanide m-chlorophenyl hydrazone

>  <Target> (1,064)
Others

>  <Form> (1,064)
free base

>  <CAS> (1,064)
555-60-2

>  <URL> (1,064)
http://www.selleck.cn/products/cccp.html

$$$$

csChFnd80/09132414022D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
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 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,065)
1067

>  <Formula> (1,065)
C8H7BrO3

>  <MolWeight> (1,065)
231.04338

>  <Cat> (1,065)
S6495

>  <Name> (1,065)
6-Bromo-2-hydroxy-3-methoxybenzaldehyde

>  <Synonyms> (1,065)
N/A

>  <Target> (1,065)
Others

>  <Form> (1,065)
free base

>  <CAS> (1,065)
20035-41-0

>  <URL> (1,065)
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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587852-28-6

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M  END
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1073

>  <Formula> (1,071)
C25H25N3O2S

>  <MolWeight> (1,071)
431.5499

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S6501

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>  <Synonyms> (1,071)
N/A

>  <Target> (1,071)
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free base

>  <CAS> (1,071)
362003-83-6

>  <URL> (1,071)
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csChFnd80/09132414022D

 32 35  0  0  0  0  0  0  0  0999 V2000
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1074

>  <Formula> (1,072)
C22H19ClN2O6S

>  <MolWeight> (1,072)
474.91406

>  <Cat> (1,072)
S6503

>  <Name> (1,072)
LX2343

>  <Synonyms> (1,072)
N/A

>  <Target> (1,072)
BACE

>  <Form> (1,072)
free base

>  <CAS> (1,072)
333745-53-2

>  <URL> (1,072)
http://www.selleck.cn/products/lx2343.html

$$$$

csChFnd80/09132414022D

 37 40  0  0  0  0  0  0  0  0999 V2000
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1075

>  <Formula> (1,073)
C25H25Cl2FN6O3

>  <MolWeight> (1,073)
547.4088032

>  <Cat> (1,073)
S6505

>  <Name> (1,073)
X-376

>  <Synonyms> (1,073)
N/A

>  <Target> (1,073)
ALK

>  <Form> (1,073)
free base

>  <CAS> (1,073)
1365267-27-1

>  <URL> (1,073)
http://www.selleck.cn/products/x-376.html

$$$$

csChFnd80/09132414022D

 21 24  0  0  0  0  0  0  0  0999 V2000
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1076

>  <Formula> (1,074)
C16H15N3O2

>  <MolWeight> (1,074)
281.3092

>  <Cat> (1,074)
S6506

>  <Name> (1,074)
Compound 401

>  <Synonyms> (1,074)
N/A

>  <Target> (1,074)
DNA-PK

>  <Form> (1,074)
free base

>  <CAS> (1,074)
168425-64-7

>  <URL> (1,074)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/09132414022D

 36 37  0  0  0  0  0  0  0  0999 V2000
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  6 12  1  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
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 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
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M  END
>  <Mol_ID> (1,075)
1077

>  <Formula> (1,075)
C24H28ClN2O7PS

>  <MolWeight> (1,075)
554.980081

>  <Cat> (1,075)
S6507

>  <Name> (1,075)
KN-92 phosphate

>  <Synonyms> (1,075)
N/A

>  <Target> (1,075)
Others

>  <Form> (1,075)
phosphate

>  <CAS> (1,075)
1135280-28-2

>  <URL> (1,075)
http://www.selleck.cn/products/kn-92-phosphate.html

$$$$

csChFnd80/09132414022D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 11 12  2  0  0  0  0
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 15 20  2  0  0  0  0
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 23 24  1  0  0  0  0
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 27 28  1  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 18 21  1  0  0  0  0
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M  END
>  <Mol_ID> (1,076)
1078

>  <Formula> (1,076)
C24H26N4O3S

>  <MolWeight> (1,076)
450.55324

>  <Cat> (1,076)
S6508

>  <Name> (1,076)
Mitapivat

>  <Synonyms> (1,076)
AG-348

>  <Target> (1,076)
PKM

>  <Form> (1,076)
free base

>  <CAS> (1,076)
1260075-17-9

>  <URL> (1,076)
http://www.selleck.cn/products/mitapivat.html

$$$$

csChFnd80/09132414022D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  6 10  2  0  0  0  0
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  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
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 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 19 21  1  0  0  0  0
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M  END
>  <Mol_ID> (1,077)
1079

>  <Formula> (1,077)
C16H12N2O3

>  <MolWeight> (1,077)
280.27808

>  <Cat> (1,077)
S6509

>  <Name> (1,077)
AG 494

>  <Synonyms> (1,077)
N/A

>  <Target> (1,077)
EGFR

>  <Form> (1,077)
free base

>  <CAS> (1,077)
133550-35-3

>  <URL> (1,077)
http://www.selleck.cn/products/ag-494.html

$$$$

csChFnd80/09132414022D

 22 22  0  0  0  0  0  0  0  0999 V2000
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    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
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M  END
>  <Mol_ID> (1,078)
1080

>  <Formula> (1,078)
C14H19Cl2N3O2S

>  <MolWeight> (1,078)
364.29056

>  <Cat> (1,078)
S6510

>  <Name> (1,078)
Iso-H7 dihydrochloride

>  <Synonyms> (1,078)
N/A

>  <Target> (1,078)
Phosphorylase

>  <Form> (1,078)
dihydrochloride

>  <CAS> (1,078)
140663-38-3

>  <URL> (1,078)
http://www.selleck.cn/products/iso-h7-dihydrochloride.html

$$$$

csChFnd80/09132414022D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,079)
1081

>  <Formula> (1,079)
C13H19NO2

>  <MolWeight> (1,079)
221.29546

>  <Cat> (1,079)
S6511

>  <Name> (1,079)
RIPA-56

>  <Synonyms> (1,079)
N/A

>  <Target> (1,079)
TNF-alpha

>  <Form> (1,079)
free base

>  <CAS> (1,079)
1956370-21-0

>  <URL> (1,079)
http://www.selleck.cn/products/ripa-56.html

$$$$

csChFnd80/09132414022D

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1356962-34-9

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1032754-81-6

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N/A

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JAK

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free base

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21561-09-1

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Phospholipase (e.g. 

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free base

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106392-48-7

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EGFR

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free base

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136831-49-7

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195371-52-9

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413599-62-9

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1454585-06-8

>  <URL> (1,100)
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>  <URL> (1,101)
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947914-18-3

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    7.2705    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4830    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4830    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2705    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9078    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1203    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1203    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3327    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5451    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5451    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3327    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    2.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
  1 24  1  0  0  0  0
  2 26  1  0  0  0  0
 14 28  2  0  0  0  0
 28 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,103)
1105

>  <Formula> (1,103)
C22H19N3O3

>  <MolWeight> (1,103)
373.40456

>  <Cat> (1,103)
S6567

>  <Name> (1,103)
Src Inhibitor 1

>  <Synonyms> (1,103)
N/A

>  <Target> (1,103)
Src

>  <Form> (1,103)
free base

>  <CAS> (1,103)
179248-59-0

>  <URL> (1,103)
http://www.selleck.cn/products/src-inhibitor-1.html

$$$$

csChFnd80/09132414022D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  7 16  2  0  0  0  0
 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
 20 23  1  0  0  0  0
 25 26  1  0  0  0  0
 19 25  1  0  0  0  0
 14 17  1  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,104)
1106

>  <Formula> (1,104)
C19H20N4O3

>  <MolWeight> (1,104)
352.3871

>  <Cat> (1,104)
S6571

>  <Name> (1,104)
BQR695

>  <Synonyms> (1,104)
NVP-BQR695

>  <Target> (1,104)
PI4K

>  <Form> (1,104)
free base

>  <CAS> (1,104)
1513879-21-4

>  <URL> (1,104)
http://www.selleck.cn/products/bqr695.html

$$$$

csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.6993    8.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    8.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.8464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    8.2463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    6.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0307    8.6791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8538    7.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0308    6.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.8462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4635    5.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5267    4.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3287    2.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2654    3.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8806    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0251    1.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    6.8462    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
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  1  7  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  5 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 16 19  1  0  0  0  0
  9 13  1  0  0  0  0
 12 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
 27 30  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,105)
1107

>  <Formula> (1,105)
C22H18ClN5O2

>  <MolWeight> (1,105)
419.86362

>  <Cat> (1,105)
S6574

>  <Name> (1,105)
KDU691

>  <Synonyms> (1,105)
N/A

>  <Target> (1,105)
PI4K

>  <Form> (1,105)
free base

>  <CAS> (1,105)
1513879-19-0

>  <URL> (1,105)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/09132414022D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 27  1  0  0  0  0
  6 32  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  2  0  0  0  0
  9 23  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  2  0  0  0  0
 11 24  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,106)
1108

>  <Formula> (1,106)
C20H25F3N6O3

>  <MolWeight> (1,106)
454.4461096

>  <Cat> (1,106)
S6577

>  <Name> (1,106)
PKC-theta inhibitor

>  <Synonyms> (1,106)
N/A

>  <Target> (1,106)
PKC

>  <Form> (1,106)
free base

>  <CAS> (1,106)
736048-65-0

>  <URL> (1,106)
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
    2.9209    0.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3513    1.8609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3918    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3918    4.1978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6044    4.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8168    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6044    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0251    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2335    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4418    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2833    3.4956    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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>  <Mol_ID> (1,111)
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>  <MolWeight> (1,111)
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>  <Cat> (1,111)
S8864

>  <Name> (1,111)
ZT-12-037-01

>  <Synonyms> (1,111)
N/A

>  <Target> (1,111)
Serine/threonin kina

>  <Form> (1,111)
free base

>  <CAS> (1,111)
2328073-61-4

>  <URL> (1,111)
http://www.selleck.cn/products/zt-12-037-01.html

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csChFnd80/09132414022D

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>  <Mol_ID> (1,112)
1114

>  <Formula> (1,112)
C25H23N5O2S

>  <MolWeight> (1,112)
457.54742

>  <Cat> (1,112)
S8867

>  <Name> (1,112)
Bentamapimod

>  <Synonyms> (1,112)
N/A

>  <Target> (1,112)
JNK

>  <Form> (1,112)
free base

>  <CAS> (1,112)
848344-36-5

>  <URL> (1,112)
http://www.selleck.cn/products/bentamapimod.html

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csChFnd80/09132414022D

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>  <Mol_ID> (1,113)
1115

>  <Formula> (1,113)
C17H17BrF3N7O2S

>  <MolWeight> (1,113)
520.3267896

>  <Cat> (1,113)
S8872

>  <Name> (1,113)
GSK8612

>  <Synonyms> (1,113)
N/A

>  <Target> (1,113)
Serine/threonin kina

>  <Form> (1,113)
free base

>  <CAS> (1,113)
2361659-62-1

>  <URL> (1,113)
http://www.selleck.cn/products/gsk8612.html

$$$$

csChFnd80/09132414022D

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1116

>  <Formula> (1,114)
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>  <MolWeight> (1,114)
474.60116

>  <Cat> (1,114)
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>  <Name> (1,114)
G1T38

>  <Synonyms> (1,114)
Lerociclib

>  <Target> (1,114)
CDK

>  <Form> (1,114)
free base

>  <CAS> (1,114)
1628256-23-4

>  <URL> (1,114)
http://www.selleck.cn/products/g1t38.html

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>  <Synonyms> (1,115)
N/A

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ALK

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>  <CAS> (1,115)
2137030-98-7

>  <URL> (1,115)
http://www.selleck.cn/products/ensartinib-dihydrochloride.html

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csChFnd80/09132414022D

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1118

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C21H16F3N3O3

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415.3652496

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S6526

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N/A

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VEGFR

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Free Base

>  <CAS> (1,116)
1125780-41-7

>  <URL> (1,116)
http://www.selleck.cn/products/sklb610.html

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csChFnd80/09132414022D

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1119

>  <Formula> (1,117)
C17H16BrN3O2

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374.23184

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S6530

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N/A

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Free Base

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229476-53-3

>  <URL> (1,117)
http://www.selleck.cn/products/ebe-a22.html

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csChFnd80/09132414022D

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1120

>  <Formula> (1,118)
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>  <MolWeight> (1,118)
340.42276

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S6531

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Bohemine

>  <Synonyms> (1,118)
N/A

>  <Target> (1,118)
CDK

>  <Form> (1,118)
Free Base

>  <CAS> (1,118)
189232-42-6

>  <URL> (1,118)
http://www.selleck.cn/products/bohemine.html

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>  <Mol_ID> (1,124)
1126

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>  <MolWeight> (1,124)
558.07378

>  <Cat> (1,124)
S6595

>  <Name> (1,124)
THZ531

>  <Synonyms> (1,124)
N/A

>  <Target> (1,124)
CDK

>  <Form> (1,124)
Free Base

>  <CAS> (1,124)
1702809-17-3

>  <URL> (1,124)
http://www.selleck.cn/products/thz531.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,125)
1127

>  <Formula> (1,125)
C10H5N3O3

>  <MolWeight> (1,125)
215.165

>  <Cat> (1,125)
S6596

>  <Name> (1,125)
AG-126

>  <Synonyms> (1,125)
N/A

>  <Target> (1,125)
ERK

>  <Form> (1,125)
Free Base

>  <CAS> (1,125)
118409-62-4

>  <URL> (1,125)
http://www.selleck.cn/products/ag-126.html

$$$$

csChFnd80/09132414022D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,126)
1128

>  <Formula> (1,126)
C20H21N5O4

>  <MolWeight> (1,126)
395.41184

>  <Cat> (1,126)
S6598

>  <Name> (1,126)
IRAK-1-4 Inhibitor I

>  <Synonyms> (1,126)
N/A

>  <Target> (1,126)
TLR

>  <Form> (1,126)
Free Base

>  <CAS> (1,126)
509093-47-4

>  <URL> (1,126)
http://www.selleck.cn/products/irak-1-4-inhibitor-i.html

$$$$

csChFnd80/09132414022D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,127)
1129

>  <Formula> (1,127)
C22H21BrCl2N6O

>  <MolWeight> (1,127)
536.25174

>  <Cat> (1,127)
S6619

>  <Name> (1,127)
ABT 702 dihydrochloride

>  <Synonyms> (1,127)
N/A

>  <Target> (1,127)
Adenosine Receptor

>  <Form> (1,127)
Dihydrochloride

>  <CAS> (1,127)
1188890-28-9

>  <URL> (1,127)
http://www.selleck.cn/products/abt-702-dihydrochloride.html

$$$$

csChFnd80/09132414022D

 25 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,128)
1130

>  <Formula> (1,128)
C17H16N8

>  <MolWeight> (1,128)
332.36254

>  <Cat> (1,128)
S6623

>  <Name> (1,128)
APY29

>  <Synonyms> (1,128)
N/A

>  <Target> (1,128)
IRE1

>  <Form> (1,128)
Free Base

>  <CAS> (1,128)
1216665-49-4

>  <URL> (1,128)
http://www.selleck.cn/products/apy29.html

$$$$

csChFnd80/09132414022D

 28 31  0  0  0  0  0  0  0  0999 V2000
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2226517-76-4

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1874276-76-2

>  <URL> (1,134)
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1137

>  <Formula> (1,135)
C22H21N5O

>  <MolWeight> (1,135)
371.43504

>  <Cat> (1,135)
S6725

>  <Name> (1,135)
PCI 29732

>  <Synonyms> (1,135)
N/A

>  <Target> (1,135)
BTK

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Free Base

>  <CAS> (1,135)
330786-25-9

>  <URL> (1,135)
http://www.selleck.cn/products/pci-29732.html

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 26 28  0  0  0  0  0  0  0  0999 V2000
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1138

>  <Formula> (1,136)
C21H23ClFNO2

>  <MolWeight> (1,136)
375.8642232

>  <Cat> (1,136)
S6727

>  <Name> (1,136)
AX-024 HCl

>  <Synonyms> (1,136)
N/A

>  <Target> (1,136)
CDK

>  <Form> (1,136)
Hydrochloride

>  <CAS> (1,136)
1704801-24-0

>  <URL> (1,136)
http://www.selleck.cn/products/ax-024-hcl.html

$$$$

csChFnd80/09132414022D

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1139

>  <Formula> (1,137)
C22H25ClN6O

>  <MolWeight> (1,137)
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>  <Cat> (1,137)
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>  <Name> (1,137)
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>  <Synonyms> (1,137)
N/A

>  <Target> (1,137)
JNK

>  <Form> (1,137)
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>  <CAS> (1,137)
1438391-30-0

>  <URL> (1,137)
http://www.selleck.cn/products/cc-401-hydrochloride.html

$$$$

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2152628-33-4

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EGFR

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Free Base

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1661854-97-2

>  <URL> (1,143)
http://www.selleck.cn/products/tas6417.html

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Akt

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1800070-77-2

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2230820-11-6

>  <URL> (1,145)
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M  END
>  <Mol_ID> (1,150)
1152

>  <Formula> (1,150)
C21H19F2N5O

>  <MolWeight> (1,150)
395.4052664

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S8874

>  <Name> (1,150)
PLX5622

>  <Synonyms> (1,150)
N/A

>  <Target> (1,150)
CSF-1R

>  <Form> (1,150)
Free Base

>  <CAS> (1,150)
1303420-67-8

>  <URL> (1,150)
http://www.selleck.cn/products/plx5622.html

$$$$

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M  END
>  <Mol_ID> (1,151)
1153

>  <Formula> (1,151)
C29H38N8O2

>  <MolWeight> (1,151)
530.66442

>  <Cat> (1,151)
S8899

>  <Name> (1,151)
FF-10101

>  <Synonyms> (1,151)
N/A

>  <Target> (1,151)
FLT3

>  <Form> (1,151)
Free Base

>  <CAS> (1,151)
1472797-69-5

>  <URL> (1,151)
http://www.selleck.cn/products/ff-10101.html

$$$$

csChFnd80/09132414022D

 40 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,152)
1154

>  <Formula> (1,152)
C29H34FN5O5

>  <MolWeight> (1,152)
551.6091632

>  <Cat> (1,152)
S8901

>  <Name> (1,152)
DS-6051b

>  <Synonyms> (1,152)
N/A

>  <Target> (1,152)
ROS

>  <Form> (1,152)
Free Base

>  <CAS> (1,152)
1505515-69-4

>  <URL> (1,152)
http://www.selleck.cn/products/ds-6051b.html

$$$$

csChFnd80/09132414022D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,153)
1155

>  <Formula> (1,153)
C21H25N3O4

>  <MolWeight> (1,153)
383.4409

>  <Cat> (1,153)
S2184

>  <Name> (1,153)
WDR5-0103

>  <Synonyms> (1,153)
WD-Repeat Protein 5-0103

>  <Target> (1,153)
Histone Methyltransferase

>  <Form> (1,153)
Free Base

>  <CAS> (1,153)
890190-22-4

>  <URL> (1,153)
http://www.selleck.cn/products/wdr5-0103.html

$$$$

csChFnd80/09132414022D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,154)
1156

>  <Formula> (1,154)
C18H37NO2

>  <MolWeight> (1,154)
299.49188

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S2210

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Sphingosine

>  <Synonyms> (1,154)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (1,154)
Others

>  <Form> (1,154)
Free Base

>  <CAS> (1,154)
123-78-4

>  <URL> (1,154)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,155)
1157

>  <Formula> (1,155)
C23H21N3O2

>  <MolWeight> (1,155)
371.43174

>  <Cat> (1,155)
S2212

>  <Name> (1,155)
AIM-100

>  <Synonyms> (1,155)
N/A

>  <Target> (1,155)
ACK

>  <Form> (1,155)
Free Base

>  <CAS> (1,155)
873305-35-2

>  <URL> (1,155)
http://www.selleck.cn/products/aim-100.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,156)
1158

>  <Formula> (1,156)
C31H34N4O2

>  <MolWeight> (1,156)
494.62726

>  <Cat> (1,156)
S2234

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BIBF-0775

>  <Synonyms> (1,156)
N/A

>  <Target> (1,156)
TGF-beta/Smad

>  <Form> (1,156)
Free Base

>  <CAS> (1,156)
334951-90-5

>  <URL> (1,156)
http://www.selleck.cn/products/bibf-0775.html

$$$$

csChFnd80/09132414022D

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1159

>  <Formula> (1,157)
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>  <MolWeight> (1,157)
359.81012

>  <Cat> (1,157)
S2249

>  <Name> (1,157)
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>  <Synonyms> (1,157)
N/A

>  <Target> (1,157)
Casein Kinase

>  <Form> (1,157)
Free Base

>  <CAS> (1,157)
1188296-52-7

>  <URL> (1,157)
http://www.selleck.cn/products/pf-4800567.html

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csChFnd80/09132414022D

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C18H18N2O3

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310.34712

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S6514

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SU5408

>  <Synonyms> (1,158)
VEGFR2 Kinase Inhibitor I 

>  <Target> (1,158)
VEGFR

>  <Form> (1,158)
Free Base

>  <CAS> (1,158)
15966-93-5

>  <URL> (1,158)
http://www.selleck.cn/products/su5408.html

$$$$

csChFnd80/09132414022D

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1161

>  <Formula> (1,159)
C25H20N4O2

>  <MolWeight> (1,159)
408.4519

>  <Cat> (1,159)
S6658

>  <Name> (1,159)
ETC-206

>  <Synonyms> (1,159)
ETC-1907206

>  <Target> (1,159)
MNK

>  <Form> (1,159)
Free Base

>  <CAS> (1,159)
1464151-33-4

>  <URL> (1,159)
http://www.selleck.cn/products/etc-206.html

$$$$

csChFnd80/09132414022D

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1162

>  <Formula> (1,160)
C26H21Cl3N8

>  <MolWeight> (1,160)
551.85754

>  <Cat> (1,160)
S6660

>  <Name> (1,160)
B-Raf inhibitor 1 dihydrochlorid

>  <Synonyms> (1,160)
N/A

>  <Target> (1,160)
Raf

>  <Form> (1,160)
Dihydrochloride

>  <CAS> (1,160)
1191385-19-9

>  <URL> (1,160)
http://www.selleck.cn/products/b-raf-inhibitor-1-dihydrochlorid.html

$$$$

csChFnd80/09132414022D

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1163

>  <Formula> (1,161)
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>  <MolWeight> (1,161)
529.5573096

>  <Cat> (1,161)
S6662

>  <Name> (1,161)
AST-487

>  <Synonyms> (1,161)
N/A

>  <Target> (1,161)
FLT3

>  <Form> (1,161)
Free Base

>  <CAS> (1,161)
630124-46-8

>  <URL> (1,161)
http://www.selleck.cn/products/ast-487.html

$$$$

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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
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
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  5  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,166)
1168

>  <Formula> (1,166)
C21H23N4O7PS2

>  <MolWeight> (1,166)
538.533681

>  <Cat> (1,166)
S8927

>  <Name> (1,166)
GSK2983559 (compound 3)

>  <Synonyms> (1,166)
RIP2 kinase inhibitor 1,RIPK2-IN-1

>  <Target> (1,166)
RIP

>  <Form> (1,166)
Free Base

>  <CAS> (1,166)
1579965-12-0

>  <URL> (1,166)
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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 36 39  1  6  0  0  0
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 42 27  1  1  0  0  0
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 45 46  1  0  0  0  0
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 47 42  1  0  0  0  0
 45 48  1  1  0  0  0
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M  END
>  <Mol_ID> (1,167)
1169

>  <Formula> (1,167)
C33H40O18

>  <MolWeight> (1,167)
724.6599

>  <Cat> (1,167)
S9096

>  <Name> (1,167)
ligustroflavone

>  <Synonyms> (1,167)
Nuezhenoside

>  <Target> (1,167)
AMPK

>  <Form> (1,167)
Free Base

>  <CAS> (1,167)
260413-62-5

>  <URL> (1,167)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/09132414022D

 60 66  0  0  0  0  0  0  0  0999 V2000
   15.3605    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1481    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2483    9.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,168)
1170

>  <Formula> (1,168)
C42H66O14

>  <MolWeight> (1,168)
794.96504

>  <Cat> (1,168)
S9116

>  <Name> (1,168)
Chikusetsusaponin Iva

>  <Synonyms> (1,168)
Calenduloside F

>  <Target> (1,168)
Immunology & Inflammation related

>  <Form> (1,168)
Free Base

>  <CAS> (1,168)
51415-02-2

>  <URL> (1,168)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

csChFnd80/09132414022D

 59 64  0  0  0  0  0  0  0  0999 V2000
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>  <Synonyms> (1,169)
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>  <Target> (1,169)
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>  <Form> (1,169)
Free Base

>  <CAS> (1,169)
52286-74-5

>  <URL> (1,169)
http://www.selleck.cn/products/20s-ginsenoside-rg2.html

$$$$

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Free Base

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20311-51-7

>  <URL> (1,170)
http://www.selleck.cn/products/solamargine.html

$$$$

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882663-88-9

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>  <URL> (1,173)
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CDK

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>  <CAS> (1,174)
2387704-62-1

>  <URL> (1,174)
http://www.selleckchem.com/products/sr-4835.html

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csChFnd80/09132414022D

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1177

>  <Formula> (1,175)
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>  <MolWeight> (1,175)
405.24136

>  <Cat> (1,175)
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>  <Synonyms> (1,175)
N/A

>  <Target> (1,175)
CDK

>  <Form> (1,175)
Free Base

>  <CAS> (1,175)
2241300-51-4

>  <URL> (1,175)
http://www.selleckchem.com/products/as2863619.html

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csChFnd80/09132414022D

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>  <Mol_ID> (1,176)
1178

>  <Formula> (1,176)
C28H31N7O3

>  <MolWeight> (1,176)
513.59084

>  <Cat> (1,176)
S8922

>  <Name> (1,176)
TBK1/IKK¦Å-IN-1(compound 1)

>  <Synonyms> (1,176)
N/A

>  <Target> (1,176)
I¦ÊB/IKK

>  <Form> (1,176)
Free Base

>  <CAS> (1,176)
1893397-65-3

>  <URL> (1,176)
http://www.selleckchem.com/products/tbk1-IKKe-in-1-compound1.html

$$$$

csChFnd80/09132414022D

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1179

>  <Formula> (1,177)
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>  <MolWeight> (1,177)
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>  <Cat> (1,177)
S8933

>  <Name> (1,177)
ONO-7475

>  <Synonyms> (1,177)
N/A

>  <Target> (1,177)
TAM Receptor

>  <Form> (1,177)
Free Base

>  <CAS> (1,177)
1646839-59-9

>  <URL> (1,177)
http://www.selleckchem.com/products/ono-7475.html

$$$$

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1640294-30-9

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152121-53-4

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139298-40-1

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1784751-19-4

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>  <Mol_ID> (1,191)
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>  <Formula> (1,191)
C32H39N7O4

>  <MolWeight> (1,191)
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>  <Cat> (1,191)
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>  <Name> (1,191)
Mobocertinib (TAK788)

>  <Synonyms> (1,191)
AP32788

>  <Target> (1,191)
EGFR

>  <Form> (1,191)
Free Base

>  <CAS> (1,191)
1847461-43-1

>  <URL> (1,191)
http://www.selleckchem.com/products/tak788.html

$$$$

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>  <Mol_ID> (1,192)
1194

>  <Formula> (1,192)
C43H46F3N7O7S

>  <MolWeight> (1,192)
861.9282496

>  <Cat> (1,192)
S8888

>  <Name> (1,192)
GMB-475

>  <Synonyms> (1,192)
N/A

>  <Target> (1,192)
PROTAC

>  <Form> (1,192)
Free Base

>  <CAS> (1,192)
no cas

>  <URL> (1,192)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,193)
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>  <Formula> (1,193)
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>  <MolWeight> (1,193)
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>  <Cat> (1,193)
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>  <Name> (1,193)
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>  <Synonyms> (1,193)
N/A

>  <Target> (1,193)
PCSK9

>  <Form> (1,193)
Free Base

>  <CAS> (1,193)
1629166-02-4

>  <URL> (1,193)
http://www.selleckchem.com/products/sbc-1107326.html

$$$$

csChFnd80/09132414022D

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1196

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C21H18F3N5O

>  <MolWeight> (1,194)
413.3957296

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S0360

>  <Name> (1,194)
EGFR?Inhibitor

>  <Synonyms> (1,194)
N/A

>  <Target> (1,194)
EGFR

>  <Form> (1,194)
Free Base

>  <CAS> (1,194)
879127-07-8

>  <URL> (1,194)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

csChFnd80/09132414022D

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1197

>  <Formula> (1,195)
C26H34N6O3S

>  <MolWeight> (1,195)
510.65156

>  <Cat> (1,195)
S0391

>  <Name> (1,195)
TG-89

>  <Synonyms> (1,195)
N/A

>  <Target> (1,195)
JAK

>  <Form> (1,195)
Free Base

>  <CAS> (1,195)
936091-56-4

>  <URL> (1,195)
http://www.selleckchem.com/products/tg-89.html

$$$$

csChFnd80/09132414022D

 34 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,196)
1198

>  <Formula> (1,196)
C24H28N6O3S

>  <MolWeight> (1,196)
480.58252

>  <Cat> (1,196)
S0487

>  <Name> (1,196)
Sulfatinib

>  <Synonyms> (1,196)
HMPL-012, Sufatinib, Surfatinib

>  <Target> (1,196)
CSF-1R

>  <Form> (1,196)
Free Base

>  <CAS> (1,196)
1308672-74-3

>  <URL> (1,196)
http://www.selleckchem.com/products/sulfatinib.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,197)
1199

>  <Formula> (1,197)
C20H25ClN6O3

>  <MolWeight> (1,197)
432.9039

>  <Cat> (1,197)
S0500

>  <Name> (1,197)
Purvalanol B

>  <Synonyms> (1,197)
NG 95

>  <Target> (1,197)
CDK

>  <Form> (1,197)
Free Base

>  <CAS> (1,197)
212844-54-7

>  <URL> (1,197)
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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M  END
>  <Mol_ID> (1,198)
1200

>  <Formula> (1,198)
C14H10BrNOS

>  <MolWeight> (1,198)
320.2043

>  <Cat> (1,198)
S0523

>  <Name> (1,198)
SB?4

>  <Synonyms> (1,198)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (1,198)
TGF-beta/Smad

>  <Form> (1,198)
Free Base

>  <CAS> (1,198)
100874-08-6

>  <URL> (1,198)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
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  5 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,199)
1201

>  <Formula> (1,199)
C18H11BrN2O2

>  <MolWeight> (1,199)
367.19614

>  <Cat> (1,199)
S1050

>  <Name> (1,199)
TCS PIM-1 1 

>  <Synonyms> (1,199)
SC 204330

>  <Target> (1,199)
Pim

>  <Form> (1,199)
Free Base

>  <CAS> (1,199)
491871-58-0

>  <URL> (1,199)
http://www.selleckchem.com/products/tcs-pim-1-1.html

$$$$

csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,200)
1202

>  <Formula> (1,200)
C18H14N2O3

>  <MolWeight> (1,200)
306.31536

>  <Cat> (1,200)
S6805

>  <Name> (1,200)
Tyrphostin AG-528

>  <Synonyms> (1,200)
Tyrphostin B66, AG 528

>  <Target> (1,200)
EGFR

>  <Form> (1,200)
Free Base

>  <CAS> (1,200)
133550-49-9

>  <URL> (1,200)
http://www.selleckchem.com/products/tyrphostin-ag-528.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,201)
1203

>  <Formula> (1,201)
C24H26N2O3S

>  <MolWeight> (1,201)
422.53984

>  <Cat> (1,201)
S6836

>  <Name> (1,201)
TH-257

>  <Synonyms> (1,201)
N/A

>  <Target> (1,201)
LIM kinase

>  <Form> (1,201)
Free Base

>  <CAS> (1,201)
2244678-29-1

>  <URL> (1,201)
http://www.selleckchem.com/products/th-257.html

$$$$

csChFnd80/09132414022D

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C20H19ClN6O2

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S6837

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R-10015

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N/A

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LIM kinase

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Free Base

>  <CAS> (1,202)
2097938-51-5

>  <URL> (1,202)
http://www.selleckchem.com/products/r-10015.html

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csChFnd80/09132414022D

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C23H26FN5O3

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439.4826432

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S6843

>  <Name> (1,203)
Vorolanib

>  <Synonyms> (1,203)
CM082

>  <Target> (1,203)
VEGFR

>  <Form> (1,203)
Free Base

>  <CAS> (1,203)
1013920-15-4

>  <URL> (1,203)
http://www.selleckchem.com/products/vorolanib.html

$$$$

csChFnd80/09132414022D

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1206

>  <Formula> (1,204)
C24H24N4O5S

>  <MolWeight> (1,204)
480.53616

>  <Cat> (1,204)
S7688

>  <Name> (1,204)
Ki20227

>  <Synonyms> (1,204)
KI-20227

>  <Target> (1,204)
CSF-1R

>  <Form> (1,204)
Free Base

>  <CAS> (1,204)
623142-96-1

>  <URL> (1,204)
http://www.selleckchem.com/products/ki20227.html

$$$$

csChFnd80/09132414022D

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1208

>  <Formula> (1,205)
C18H20N4O4

>  <MolWeight> (1,205)
356.3758

>  <Cat> (1,205)
S7794

>  <Name> (1,205)
JNK Inhibitor VIII

>  <Synonyms> (1,205)
TCS?JNK?6o

>  <Target> (1,205)
JNK

>  <Form> (1,205)
Free Base

>  <CAS> (1,205)
894804-07-0

>  <URL> (1,205)
http://www.selleckchem.com/products/jnk-inhibitor-viii.html

$$$$

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PKC

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Free Base

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82-08-6

>  <URL> (1,206)
http://www.selleckchem.com/products/rottlerin.html

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THZ2

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N/A

>  <Target> (1,207)
CDK

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Free Base

>  <CAS> (1,207)
1604810-84-5

>  <URL> (1,207)
http://www.selleckchem.com/products/thz2.html

$$$$

csChFnd80/09132414022D

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>  <Target> (1,208)
mTOR

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>  <CAS> (1,208)
1927857-56-4

>  <URL> (1,208)
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1338934-59-0

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ALK

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free base

>  <CAS> (1,214)
2229036-62-6

>  <URL> (1,214)
http://www.selleckchem.com/products/ms4078.html

$$$$

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FGFR

>  <Form> (1,215)
free base

>  <CAS> (1,215)
1513857-77-6

>  <URL> (1,215)
http://www.selleckchem.com/products/pemigatinib-incb054828.html

$$$$

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431.2870664

>  <Cat> (1,216)
S0185

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LIM kinase

>  <Form> (1,216)
free base

>  <CAS> (1,216)
1338247-35-0

>  <URL> (1,216)
http://www.selleckchem.com/products/bms-5.html

$$$$

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2306178-56-1

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1055412-47-9

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csChFnd80/09132414022D

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>  <Formula> (1,219)
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951151-97-6

>  <URL> (1,219)
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188343-77-3

>  <URL> (1,220)
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1292310-49-6

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  2  9  1  0  0  0  0
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 15 10  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
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 24 19  1  0  0  0  0
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 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
 17 30  2  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Mol_ID> (1,222)
1225

>  <Formula> (1,222)
C21H13ClF3N3O2

>  <MolWeight> (1,222)
431.7950296

>  <Cat> (1,222)
S0445

>  <Name> (1,222)
SC-43

>  <Target> (1,222)
phosphatase

>  <Form> (1,222)
free base

>  <CAS> (1,222)
1400989-25-4

>  <URL> (1,222)
http://www.selleckchem.com/products/sc-43.html

$$$$

csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
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  7  9  2  0  0  0  0
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 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 12 13  1  0  0  0  0
 11 10  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  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
 17 21  2  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,223)
1226

>  <Formula> (1,223)
C14H10N4O3S

>  <MolWeight> (1,223)
314.3192

>  <Cat> (1,223)
S0458

>  <Name> (1,223)
KY1220

>  <Target> (1,223)
Wnt/beta-catenin

>  <Form> (1,223)
free base

>  <CAS> (1,223)
292168-79-7

>  <URL> (1,223)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/09132414022D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 13 18  2  0  0  0  0
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 15 20  2  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 19 21  2  0  0  0  0
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 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,224)
1227

>  <Formula> (1,224)
C19H11ClN3NaO2

>  <MolWeight> (1,224)
371.75231

>  <Cat> (1,224)
S0707

>  <Name> (1,224)
Silmitasertib sodium salt

>  <Target> (1,224)
Casein Kinase

>  <Form> (1,224)
sodium

>  <CAS> (1,224)
1309357-15-0

>  <URL> (1,224)
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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  1  2  1  0  0  0  0
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 10  1  1  0  0  0  0
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 18 19  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,225)
1228

>  <Formula> (1,225)
C23H40N2O3

>  <MolWeight> (1,225)
392.5753

>  <Cat> (1,225)
S0752

>  <Name> (1,225)
AUDA

>  <Target> (1,225)
Epoxide Hydrolase

>  <Form> (1,225)
free base

>  <CAS> (1,225)
479413-70-2

>  <URL> (1,225)
http://www.selleckchem.com/products/auda.html

$$$$

csChFnd80/09132414022D

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1229

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Apilimod mesylate

>  <Target> (1,226)
Interleukins

>  <Form> (1,226)
mesylate

>  <CAS> (1,226)
870087-36-8

>  <URL> (1,226)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/09132414022D

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302.7142

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S0787

>  <Name> (1,227)
3-Deazaadenosine hydrochloride

>  <Target> (1,227)
TNF-alpha

>  <Form> (1,227)
hydrochloride

>  <CAS> (1,227)
86583-19-9

>  <URL> (1,227)
http://www.selleckchem.com/products/3-deazaadenosine-hydrochloride.html

$$$$

csChFnd80/09132414022D

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>  <Formula> (1,228)
C28H29NO6

>  <MolWeight> (1,228)
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S0818

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STAT3-IN-1

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STAT

>  <Form> (1,228)
free base

>  <CAS> (1,228)
2059952-75-7

>  <URL> (1,228)
http://www.selleckchem.com/products/stat3-in-1.html

$$$$

csChFnd80/09132414022D

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1232

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ULK

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free base

>  <CAS> (1,229)
2101517-69-3

>  <URL> (1,229)
http://www.selleckchem.com/products/bl-918.html

$$$$

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 17 12  1  0  0  0  0
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 14 20  2  0  0  0  0
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 22 24  2  0  0  0  0
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 26 28  1  0  0  0  0
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  1 30  1  1  0  0  0
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 12 33  1  1  0  0  0
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  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
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1233

>  <Formula> (1,230)
C30H48O7

>  <MolWeight> (1,230)
520.69792

>  <Cat> (1,230)
S0949

>  <Name> (1,230)
Cucurbitacin IIb

>  <Target> (1,230)
STAT

>  <Form> (1,230)
free base

>  <CAS> (1,230)
50298-90-3

>  <URL> (1,230)
http://www.selleckchem.com/products/curcubitacin-iib.html

$$$$

csChFnd80/09132414022D

 10 10  0  0  0  0  0  0  0  0999 V2000
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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> (1,231)
1234

>  <Formula> (1,231)
C7H7NO2

>  <MolWeight> (1,231)
137.13598

>  <Cat> (1,231)
S3220

>  <Name> (1,231)
Trigonelline

>  <Target> (1,231)
Phospholipase (e.g. 

>  <Form> (1,231)
free base

>  <CAS> (1,231)
535-83-1

>  <URL> (1,231)
http://www.selleckchem.com/products/trigonelline.html

$$$$

csChFnd80/09132414022D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  8  2  1  1  0  0  0
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 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
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M  END
>  <Mol_ID> (1,232)
1235

>  <Formula> (1,232)
C7H14O6

>  <MolWeight> (1,232)
194.18246

>  <Cat> (1,232)
S3223

>  <Name> (1,232)
L-Quebrachitol

>  <Target> (1,232)
TGF-beta/Smad

>  <Form> (1,232)
free base

>  <CAS> (1,232)
642-38-6

>  <URL> (1,232)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/09132414022D

 32 37  0  0  0  0  0  0  0  0999 V2000
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    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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   11.6824    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 12 22  1  1  0  0  0
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 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> (1,233)
1236

>  <Formula> (1,233)
C26H34O6

>  <MolWeight> (1,233)
442.54456

>  <Cat> (1,233)
S3224

>  <Name> (1,233)
Cinobufagin

>  <Target> (1,233)
ATM/ATR

>  <Form> (1,233)
free base

>  <CAS> (1,233)
470-37-1

>  <URL> (1,233)
http://www.selleckchem.com/products/cinobufagin.html

$$$$

csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    2.1138    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
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  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
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 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
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 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,234)
1237

>  <Formula> (1,234)
C20H28O2

>  <MolWeight> (1,234)
300.43512

>  <Cat> (1,234)
S3226

>  <Name> (1,234)
Dehydroabietic acid

>  <Target> (1,234)
Anti-infection

>  <Form> (1,234)
free base

>  <CAS> (1,234)
1740-19-8

>  <URL> (1,234)
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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M  END
>  <Mol_ID> (1,235)
1238

>  <Formula> (1,235)
C24H32O4

>  <MolWeight> (1,235)
384.50848

>  <Cat> (1,235)
S3238

>  <Name> (1,235)
Resibufogenin

>  <Target> (1,235)
RIP kinase

>  <Form> (1,235)
free base

>  <CAS> (1,235)
465-39-4

>  <URL> (1,235)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/09132414022D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1 12  1  0  0  0  0
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  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,236)
1239

>  <Formula> (1,236)
C17H18O4

>  <MolWeight> (1,236)
286.32242

>  <Cat> (1,236)
S3241

>  <Name> (1,236)
Loureirin A

>  <Target> (1,236)
Akt

>  <Form> (1,236)
free base

>  <CAS> (1,236)
119425-89-7

>  <URL> (1,236)
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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  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
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 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,237)
1240

>  <Formula> (1,237)
C18H20O5

>  <MolWeight> (1,237)
316.3484

>  <Cat> (1,237)
S3242

>  <Name> (1,237)
Loureirin B

>  <Target> (1,237)
PAI-1

>  <Form> (1,237)
free base

>  <CAS> (1,237)
119425-90-0

>  <URL> (1,237)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/09132414022D

 42 46  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,238)
1241

>  <Formula> (1,238)
C27H30O15

>  <MolWeight> (1,238)
594.5181

>  <Cat> (1,238)
S3267

>  <Name> (1,238)
Kaempferol-3-O-rutinoside

>  <Target> (1,238)
Apoptosis related

>  <Form> (1,238)
free base

>  <CAS> (1,238)
17650-84-9

>  <URL> (1,238)
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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>  <Mol_ID> (1,239)
1242

>  <Formula> (1,239)
C30H16O8

>  <MolWeight> (1,239)
504.44324

>  <Cat> (1,239)
S3273

>  <Name> (1,239)
Hypericin

>  <Target> (1,239)
MAO

>  <Form> (1,239)
free base

>  <CAS> (1,239)
548-04-9

>  <URL> (1,239)
http://www.selleckchem.com/products/hypericin.html

$$$$

csChFnd80/09132414022D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,240)
1243

>  <Formula> (1,240)
C12H16O4

>  <MolWeight> (1,240)
224.25304

>  <Cat> (1,240)
S3275

>  <Name> (1,240)
Senkyunolide I

>  <Target> (1,240)
ERK

>  <Form> (1,240)
free base

>  <CAS> (1,240)
94596-28-8

>  <URL> (1,240)
http://www.selleckchem.com/products/senkyunolide-i.html

$$$$

csChFnd80/09132414022D

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 16  1  1  6  0  0  0
 19  1  1  1  0  0  0
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  2 22  1  0  0  0  0
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  3 25  1  0  0  0  0
 20  4  1  1  0  0  0
  4 28  1  0  0  0  0
 17  5  1  1  0  0  0
 18  6  1  6  0  0  0
 21  7  1  6  0  0  0
 23  8  1  6  0  0  0
 24  9  1  1  0  0  0
 10 26  1  0  0  0  0
 11 29  1  0  0  0  0
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 17 18  1  0  0  0  0
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 29 32  1  0  0  0  0
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 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
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 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  2  0  0  0  0
 38 39  2  0  0  0  0
 40 42  2  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (1,241)
1244

>  <Formula> (1,241)
C27H30O15

>  <MolWeight> (1,241)
594.5181

>  <Cat> (1,241)
S3278

>  <Name> (1,241)
Kaempferol-3-O-neohesperidoside

>  <Target> (1,241)
Carbohydrate Metabol

>  <Form> (1,241)
free base

>  <CAS> (1,241)
32602-81-6

>  <URL> (1,241)
http://www.selleckchem.com/products/kaempferol-3-o-neohesperidoside.html

$$$$

csChFnd80/09132414022D

 39 42  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6289    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8413    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,242)
1245

>  <Formula> (1,242)
C27H34O12

>  <MolWeight> (1,242)
550.55166

>  <Cat> (1,242)
S3284

>  <Name> (1,242)
Tracheloside

>  <Target> (1,242)
phosphatase

>  <Form> (1,242)
free base

>  <CAS> (1,242)
33464-71-0

>  <URL> (1,242)
http://www.selleckchem.com/products/tracheloside.html

$$$$

csChFnd80/09132414022D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  8 12  2  0  0  0  0
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 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
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M  END
>  <Mol_ID> (1,243)
1246

>  <Formula> (1,243)
C19H12O7

>  <MolWeight> (1,243)
352.29438

>  <Cat> (1,243)
S3289

>  <Name> (1,243)
Daphnoretin

>  <Target> (1,243)
PKC

>  <Form> (1,243)
free base

>  <CAS> (1,243)
2034-69-7

>  <URL> (1,243)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/09132414022D

 19 18  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3119    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5223    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7328    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9432    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1536    4.8757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3660    4.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5785    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (1,244)
1247

>  <Formula> (1,244)
C17H24O2

>  <MolWeight> (1,244)
260.37126

>  <Cat> (1,244)
S3292

>  <Name> (1,244)
Falcarindiol

>  <Target> (1,244)
NOS

>  <Form> (1,244)
free base

>  <CAS> (1,244)
225110-25-8

>  <URL> (1,244)
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
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    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
    2.4207    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0580    4.8927    0.0000 N   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
    4.8455    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  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> (1,245)
1248

>  <Formula> (1,245)
C16H17NO3

>  <MolWeight> (1,245)
271.31108

>  <Cat> (1,245)
S3294

>  <Name> (1,245)
Demethyl-Coclaurine

>  <Target> (1,245)
Adrenergic Receptor

>  <Form> (1,245)
free base

>  <CAS> (1,245)
5843-65-2

>  <URL> (1,245)
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
    9.7903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   12.8754    4.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3878    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
  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> (1,246)
1249

>  <Formula> (1,246)
C16H12O6

>  <MolWeight> (1,246)
300.26288

>  <Cat> (1,246)
S3296

>  <Name> (1,246)
Hispidulin

>  <Target> (1,246)
Pim

>  <Form> (1,246)
free base

>  <CAS> (1,246)
1447-88-7

>  <URL> (1,246)
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
    1.2193    5.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (1,247)
1250

>  <Formula> (1,247)
C12H16N2O

>  <MolWeight> (1,247)
204.26824

>  <Cat> (1,247)
S3298

>  <Name> (1,247)
Caulophylline (N-Methylcytisine)

>  <Target> (1,247)
AChR

>  <Form> (1,247)
free base

>  <CAS> (1,247)
486-86-2 (63699-79-6, 207-643-8)

>  <URL> (1,247)
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
    1.2124    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2166   10.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0084    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291   12.5879    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
  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  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> (1,248)
1251

>  <Formula> (1,248)
C19H18NO4+

>  <MolWeight> (1,248)
324.35052

>  <Cat> (1,248)
S3299

>  <Name> (1,248)
Demethyleneberberine

>  <Target> (1,248)
Peroxidases

>  <Form> (1,248)
free base

>  <CAS> (1,248)
25459-91-0

>  <URL> (1,248)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/09132414022D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    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
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,249)
1252

>  <Formula> (1,249)
C27H33ClN2O4

>  <MolWeight> (1,249)
485.01492

>  <Cat> (1,249)
S6760

>  <Name> (1,249)
LM22B-10

>  <Target> (1,249)
Trk receptor

>  <Form> (1,249)
free base

>  <CAS> (1,249)
342777-54-2

>  <URL> (1,249)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,250)
1253

>  <Formula> (1,250)
C20H15F3N8

>  <MolWeight> (1,250)
424.3819096

>  <Cat> (1,250)
S6762

>  <Name> (1,250)
Bozitinib (PLB-1001)

>  <Target> (1,250)
c-Met

>  <Form> (1,250)
free base

>  <CAS> (1,250)
1440964-89-5

>  <URL> (1,250)
http://www.selleckchem.com/products/bozitinib.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,251)
1254

>  <Formula> (1,251)
C27H24N6

>  <MolWeight> (1,251)
432.51966

>  <Cat> (1,251)
S6811

>  <Name> (1,251)
Miransertib (ARQ-092)

>  <Target> (1,251)
Akt

>  <Form> (1,251)
free base

>  <CAS> (1,251)
1313881-70-7

>  <URL> (1,251)
http://www.selleckchem.com/products/miransertib.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,252)
1255

>  <Formula> (1,252)
C24H19F4N5O2

>  <MolWeight> (1,252)
485.4335728

>  <Cat> (1,252)
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>  <Name> (1,252)
VU6015929

>  <Target> (1,252)
DDR

>  <Form> (1,252)
free base

>  <CAS> (1,252)
no

>  <URL> (1,252)
http://www.selleckchem.com/products/vu6015929.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,253)
1256

>  <Formula> (1,253)
C15H18Cl2N2O2S

>  <MolWeight> (1,253)
361.28662

>  <Cat> (1,253)
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>  <Name> (1,253)
ML-9 HCl

>  <Target> (1,253)
Akt

>  <Form> (1,253)
hydrochloride

>  <CAS> (1,253)
105637-50-1

>  <URL> (1,253)
http://www.selleckchem.com/products/ml-9-hcl.html

$$$$

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>  <Mol_ID> (1,254)
1257

>  <Formula> (1,254)
C28H23Cl5N2O2

>  <MolWeight> (1,254)
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>  <Cat> (1,254)
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>  <Name> (1,254)
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>  <Target> (1,254)
Proteasome

>  <Form> (1,254)
free base

>  <CAS> (1,254)
1617495-03-0

>  <URL> (1,254)
http://www.selleckchem.com/products/ra-190.html

$$$$

csChFnd80/09132414022D

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>  <Formula> (1,255)
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>  <MolWeight> (1,255)
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>  <Cat> (1,255)
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>  <Name> (1,255)
Alflutinib (AST2818) mesylate

>  <Target> (1,255)
EGFR

>  <Form> (1,255)
mesylate

>  <CAS> (1,255)
1869057-83-9

>  <URL> (1,255)
http://www.selleckchem.com/products/alflutinib-ast2818-.html

$$$$

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Ningetinib

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c-Met

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free base

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1394820-69-9

>  <URL> (1,256)
http://www.selleckchem.com/products/ningetinib.html

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csChFnd80/09132414022D

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C2H2NNaO3

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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> (1,257)
565-73-1

>  <URL> (1,257)
http://www.selleckchem.com/products/sodium-oxamate.html

$$$$

csChFnd80/09132414022D

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1261

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C20H11N5OS

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369.39924

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S6882

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HI-TOPK-032

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TOPK

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free base

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487020-03-1

>  <URL> (1,258)
http://www.selleckchem.com/products/hi-topk-032.html

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csChFnd80/09132414022D

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C19H15ClN4O

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350.8016

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S6888

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SEL201

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MNK

>  <Form> (1,259)
free base

>  <CAS> (1,259)
2095704-43-9

>  <URL> (1,259)
http://www.selleckchem.com/products/sel201.html

$$$$

csChFnd80/09132414022D

 38 41  0  0  0  0  0  0  0  0999 V2000
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Ras

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free base

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521310-51-0

>  <URL> (1,260)
http://www.selleckchem.com/products/mcp110.html

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csChFnd80/09132414022D

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1610358-56-9

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1622849-43-7

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2230836-55-0

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Serine/threonin kina

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2183470-12-2

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DCLK1-IN-1

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2222635-15-4

>  <URL> (1,270)
http://www.selleckchem.com/products/dclk1-in-1.html

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csChFnd80/09132414022D

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C27H37ClN6O2

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513.07468

>  <Cat> (1,271)
S8981

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NVP-2

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CDK

>  <Form> (1,271)
free base

>  <CAS> (1,271)
1263373-43-8

>  <URL> (1,271)
http://www.selleckchem.com/products/nvp-2.html

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csChFnd80/09132414022D

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C26H25N3O3

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>  <Name> (1,272)
Orelabrutinib

>  <Target> (1,272)
BTK

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free base

>  <CAS> (1,272)
1655504-04-3

>  <URL> (1,272)
http://www.selleckchem.com/products/orelabrutinib.html

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>  <CAS> (1,273)
1034895-42-5

>  <URL> (1,273)
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57818-44-7

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1613191-99-3

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csChFnd80/09132414022D

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Aurora Kinase

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free base

>  <CAS> (1,279)
No

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http://www.selleckchem.com/products/sp-146.html

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BTK

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free base

>  <CAS> (1,280)
1787294-07-8

>  <URL> (1,280)
http://www.selleckchem.com/products/remibrutinib-lou064.html

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csChFnd80/09132414022D

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1429881-91-3

>  <URL> (1,281)
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M  END
>  <Mol_ID> (1,282)
1285

>  <Formula> (1,282)
C97H144FN33O19S2

>  <MolWeight> (1,282)
2159.5193632

>  <Cat> (1,282)
S9665

>  <Name> (1,282)
Motixafortide (BL-8040)

>  <Target> (1,282)
CXCR

>  <Form> (1,282)
free base

>  <CAS> (1,282)
664334-36-5

>  <URL> (1,282)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/09132414022D

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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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 10 11  1  0  0  0  0
  7 12  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
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 22 24  1  1  0  0  0
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 11 26  1  0  0  0  0
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 27 11  1  0  0  0  0
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M  END
>  <Mol_ID> (1,283)
1286

>  <Formula> (1,283)
C21H25N5O2

>  <MolWeight> (1,283)
379.4555

>  <Cat> (1,283)
S9694

>  <Name> (1,283)
MLi-2

>  <Target> (1,283)
Others

>  <Form> (1,283)
free base

>  <CAS> (1,283)
1627091-47-7

>  <URL> (1,283)
http://www.selleckchem.com/products/mli-2.html

$$$$

csChFnd80/09132414022D

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 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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  9 10  1  0  0  0  0
  7  8  1  0  0  0  0
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  5 20  1  0  0  0  0
 21 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 22  2  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 19  1  0  0  0  0
 27 30  2  0  0  0  0
  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> (1,284)
1287

>  <Formula> (1,284)
C28H26N4O3

>  <MolWeight> (1,284)
466.53104

>  <Cat> (1,284)
S1421

>  <Name> (1,284)
Staurosporine

>  <Synonyms> (1,284)
CGP 41251

>  <Target> (1,284)
PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

>  <Form> (1,284)
Free Base

>  <CAS> (1,284)
62996-74-1

>  <URL> (1,284)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/09132414022D

 46 45  0  0  0  0  0  0  0  0999 V2000
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 29 30  2  0  0  0  0
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M  END
>  <Mol_ID> (1,285)
1288

>  <Formula> (1,285)
C45H74O

>  <MolWeight> (1,285)
631.06846

>  <Cat> (1,285)
S2360

>  <Name> (1,285)
Solanesol (Nonaisoprenol)

>  <Synonyms> (1,285)
Nonaisoprenol, Betulanonaprenol

>  <Target> (1,285)
others

>  <Form> (1,285)
Free Base

>  <CAS> (1,285)
13190-97-1

>  <URL> (1,285)
https://www.selleckchem.com/products/solanesol-nonaisoprenol.html

$$$$

csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  6  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
  7 14  1  0  0  0  0
  8 11  2  0  0  0  0
  8 21  1  0  0  0  0
  9 12  2  0  0  0  0
  9 22  1  0  0  0  0
 10 13  1  0  0  0  0
 11 18  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 15 17  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,286)
1289

>  <Formula> (1,286)
C17H15N5

>  <MolWeight> (1,286)
289.3345

>  <Cat> (1,286)
S0540

>  <Name> (1,286)
BAY-474

>  <Synonyms> (1,286)
N/A

>  <Target> (1,286)
c-Met

>  <Form> (1,286)
Free Base

>  <CAS> (1,286)
1033767-86-0

>  <URL> (1,286)
https://www.selleckchem.com/products/bay-474.html

$$$$

csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,287)
1290

>  <Formula> (1,287)
C21H18N2O

>  <MolWeight> (1,287)
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>  <Cat> (1,287)
S0765

>  <Name> (1,287)
MAZ51

>  <Synonyms> (1,287)
N/A

>  <Target> (1,287)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (1,287)
Free Base

>  <CAS> (1,287)
163655-37-6

>  <URL> (1,287)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,288)
1291

>  <Formula> (1,288)
C42H70O12

>  <MolWeight> (1,288)
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>  <Cat> (1,288)
S9210

>  <Name> (1,288)
Ginsenoside Rk1

>  <Synonyms> (1,288)
N/A

>  <Target> (1,288)
others

>  <Form> (1,288)
Free Base

>  <CAS> (1,288)
494753-69-4

>  <URL> (1,288)
https://www.selleckchem.com/products/ginsenoside-rk1.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,289)
1292

>  <Formula> (1,289)
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>  <MolWeight> (1,289)
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>  <Cat> (1,289)
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>  <Name> (1,289)
Esculentoside A

>  <Synonyms> (1,289)
N/A

>  <Target> (1,289)
Immunology & Inflammation related

>  <Form> (1,289)
Free Base

>  <CAS> (1,289)
65497-07-6

>  <URL> (1,289)
https://www.selleckchem.com/products/esculentoside-a.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,290)
1293

>  <Formula> (1,290)
C19H20O5

>  <MolWeight> (1,290)
328.3591

>  <Cat> (1,290)
S9264

>  <Name> (1,290)
Decursin

>  <Synonyms> (1,290)
N/A

>  <Target> (1,290)
Immunology & Inflammation related

>  <Form> (1,290)
Free Base

>  <CAS> (1,290)
5928-25-6

>  <URL> (1,290)
https://www.selleckchem.com/products/decursin.html

$$$$

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M  END
>  <Mol_ID> (1,291)
1294

>  <Formula> (1,291)
C57H92O28

>  <MolWeight> (1,291)
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>  <Cat> (1,291)
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>  <Name> (1,291)
Platycodin D

>  <Synonyms> (1,291)
N/A

>  <Target> (1,291)
Immunology & Inflammation related

>  <Form> (1,291)
Free Base

>  <CAS> (1,291)
58479-68-8

>  <URL> (1,291)
https://www.selleckchem.com/products/platycodin-d.html

$$$$

csChFnd80/09132414022D

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   10.9119    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1243    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    1.4001    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
    0.0000    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4001    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
  5  6  1  0  0  0  0
  3  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  6  0  0  0
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 28 27  1  0  0  0  0
 28 23  2  0  0  0  0
 28 21  1  0  0  0  0
  4 29  1  6  0  0  0
M  END
>  <Mol_ID> (1,292)
1295

>  <Formula> (1,292)
C22H26N2O4

>  <MolWeight> (1,292)
382.45284

>  <Cat> (1,292)
S9306

>  <Name> (1,292)
Corynoxeine

>  <Synonyms> (1,292)
N/A

>  <Target> (1,292)
ERK

>  <Form> (1,292)
Free Base

>  <CAS> (1,292)
630-94-4

>  <URL> (1,292)
https://www.selleckchem.com/products/corynoxeine.html

$$$$

csChFnd80/09132414022D

 78 87  0  0  0  0  0  0  0  0999 V2000
   13.3341    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1218    2.0998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9091    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1216    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6968    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9091    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6968    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9091    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4843    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4845    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9091    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3244    6.4157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4845    5.5998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2720    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6972    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6349    9.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8471    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8471    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   19.3962    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1839    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3962    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1839    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7589    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5466    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3962    3.4998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3962    4.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1839    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1839    2.7998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6087    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   21.9401    7.4324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7632    7.1651    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.7632    8.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9714    3.4998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9714    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3069    6.0324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.5194    6.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5194    8.1324    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.3069    8.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0946    8.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0946    6.7324    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.7317    8.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0946    5.3324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6087    5.5998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.6087    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5466    2.0998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9714    2.0998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   22.7632    4.8998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 29 32  1  6  0  0  0
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M  END
>  <Mol_ID> (1,293)
1296

>  <Formula> (1,293)
C50H83NO21

>  <MolWeight> (1,293)
1034.18812

>  <Cat> (1,293)
S9444

>  <Name> (1,293)
Tomatine

>  <Synonyms> (1,293)
lycopersicin

>  <Target> (1,293)
Anti-infection

>  <Form> (1,293)
Free Base

>  <CAS> (1,293)
17406-45-0

>  <URL> (1,293)
https://www.selleckchem.com/products/tomatine.html

$$$$

csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.2950    0.0026    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,294)
1297

>  <Formula> (1,294)
C21H21Cl2N5OS

>  <MolWeight> (1,294)
462.39534

>  <Cat> (1,294)
S0015

>  <Name> (1,294)
WNK-IN-11

>  <Synonyms> (1,294)
N/A

>  <Target> (1,294)
Serine/threonin kinase

>  <Form> (1,294)
Free Base

>  <CAS> (1,294)
2123489-30-3

>  <URL> (1,294)
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    7.8069    3.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 14  2  0  0  0  0
  3  8  1  0  0  0  0
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  4 18  1  0  0  0  0
  5 14  1  0  0  0  0
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  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
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 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,299)
1302

>  <Formula> (1,299)
C13H11N3OS

>  <MolWeight> (1,299)
257.31094

>  <Cat> (1,299)
S0152

>  <Name> (1,299)
PKG drug G1

>  <Synonyms> (1,299)
N/A

>  <Target> (1,299)
PKG

>  <Form> (1,299)
Free Base

>  <CAS> (1,299)
374703-78-3

>  <URL> (1,299)
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
    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
    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
    6.0622    2.8000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   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
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   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8071    3.2196    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  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
 11 13  2  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 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
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,300)
1303

>  <Formula> (1,300)
C16H15FN2O4

>  <MolWeight> (1,300)
318.2997032

>  <Cat> (1,300)
S0153

>  <Name> (1,300)
SJ000291942

>  <Synonyms> (1,300)
N/A

>  <Target> (1,300)
TGF-beta/Smad

>  <Form> (1,300)
Free Base

>  <CAS> (1,300)
425613-09-8

>  <URL> (1,300)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.0496    5.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    6.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    5.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    6.2551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2370    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.5200    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  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  1 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
 11 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 11  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,301)
1304

>  <Formula> (1,301)
C18H15N5O

>  <MolWeight> (1,301)
317.3446

>  <Cat> (1,301)
S0256

>  <Name> (1,301)
Ehp-inhibitor-1

>  <Synonyms> (1,301)
Ehp inhibitor 2

>  <Target> (1,301)
Ephrin receptor

>  <Form> (1,301)
Free Base

>  <CAS> (1,301)
861249-59-4

>  <URL> (1,301)
https://www.selleckchem.com/products/ehp-inhibitor.html

$$$$

csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.0545    6.5190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9668    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    2.5266    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
    4.5668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    3.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    4.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8001    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
    5.9895    5.4769    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    3.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3594    5.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8595    3.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4894    7.8497    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  7  2  0  0  0  0
  3  6  1  0  0  0  0
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  4  5  1  0  0  0  0
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  5  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  9 15  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
 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> (1,302)
1305

>  <Formula> (1,302)
C17H15NO2

>  <MolWeight> (1,302)
265.3065

>  <Cat> (1,302)
S0290

>  <Name> (1,302)
SU5204

>  <Synonyms> (1,302)
N/A

>  <Target> (1,302)
VEGFR. HER2

>  <Form> (1,302)
Free Base

>  <CAS> (1,302)
186611-11-0

>  <URL> (1,302)
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
    7.2746    0.7000    0.0000 C   0  0  1  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
    7.2746    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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    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
    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
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 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> (1,303)
1306

>  <Formula> (1,303)
C13H14N2O3

>  <MolWeight> (1,303)
246.26186

>  <Cat> (1,303)
S0323

>  <Name> (1,303)
Antineoplaston A10

>  <Synonyms> (1,303)
N/A

>  <Target> (1,303)
Ras

>  <Form> (1,303)
Free Base

>  <CAS> (1,303)
91531-30-5

>  <URL> (1,303)
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
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    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
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  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
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 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> (1,304)
1307

>  <Formula> (1,304)
C16H11N3O3

>  <MolWeight> (1,304)
293.27684

>  <Cat> (1,304)
S0354

>  <Name> (1,304)
Alsterpaullone

>  <Synonyms> (1,304)
Alp, 9-Nitropaullone, NSC 705701

>  <Target> (1,304)
CDK. GSK-3. apoptosis related. Caspase

>  <Form> (1,304)
Free Base

>  <CAS> (1,304)
237430-03-4

>  <URL> (1,304)
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
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M  END
>  <Mol_ID> (1,305)
1308

>  <Formula> (1,305)
C31H29FN4O5

>  <MolWeight> (1,305)
556.5841632

>  <Cat> (1,305)
S0361

>  <Name> (1,305)
AMG-1

>  <Synonyms> (1,305)
c-Met/RON Dual Kinase Inhibitor, RON-IN-1

>  <Target> (1,305)
c-Met

>  <Form> (1,305)
Free Base

>  <CAS> (1,305)
913376-84-8

>  <URL> (1,305)
https://www.selleckchem.com/products/amg-1.html

$$$$

csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 15 10  1  0  0  0  0
 12 16  1  0  0  0  0
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 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (1,306)
1309

>  <Formula> (1,306)
C17H16FN5

>  <MolWeight> (1,306)
309.3408432

>  <Cat> (1,306)
S0373

>  <Name> (1,306)
CZC-8004

>  <Synonyms> (1,306)
CZC-00008004

>  <Target> (1,306)
Bcr-Abl

>  <Form> (1,306)
Free Base

>  <CAS> (1,306)
916603-07-1

>  <URL> (1,306)
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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M  END
>  <Mol_ID> (1,307)
1310

>  <Formula> (1,307)
C17H14Cl2N6O

>  <MolWeight> (1,307)
389.23866

>  <Cat> (1,307)
S0384

>  <Name> (1,307)
RO495

>  <Synonyms> (1,307)
CS-2667

>  <Target> (1,307)
JAK

>  <Form> (1,307)
Free Base

>  <CAS> (1,307)
1258296-60-4

>  <URL> (1,307)
https://www.selleckchem.com/products/ro495.html

$$$$

csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,308)
1311

>  <Formula> (1,308)
C17H18N4O3S

>  <MolWeight> (1,308)
358.41482

>  <Cat> (1,308)
S0385

>  <Name> (1,308)
S6K-18

>  <Synonyms> (1,308)
N/A

>  <Target> (1,308)
S6 Kinase

>  <Form> (1,308)
Free Base

>  <CAS> (1,308)
1265789-88-5

>  <URL> (1,308)
https://www.selleckchem.com/products/s6k-18.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,309)
1312

>  <Formula> (1,309)
C16H10F2N6O

>  <MolWeight> (1,309)
340.2870064

>  <Cat> (1,309)
S0411

>  <Name> (1,309)
BAM 15

>  <Synonyms> (1,309)
N/A

>  <Target> (1,309)
AMPK. apoptosis related

>  <Form> (1,309)
Free Base

>  <CAS> (1,309)
210302-17-3

>  <URL> (1,309)
https://www.selleckchem.com/products/bam-15.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,310)
1313

>  <Formula> (1,310)
C22H19N3O2S

>  <MolWeight> (1,310)
389.47016

>  <Cat> (1,310)
S0431

>  <Name> (1,310)
ML281

>  <Synonyms> (1,310)
N/A

>  <Target> (1,310)
Serine/threonin kinase

>  <Form> (1,310)
Free Base

>  <CAS> (1,310)
1404437-62-2

>  <URL> (1,310)
https://www.selleckchem.com/products/ml281.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,311)
1314

>  <Formula> (1,311)
C15H12Cl2N4O

>  <MolWeight> (1,311)
335.18798

>  <Cat> (1,311)
S0454

>  <Name> (1,311)
Adjudin

>  <Synonyms> (1,311)
AF-2364

>  <Target> (1,311)
Chloride Channel. NF-¦ÊB. ERK

>  <Form> (1,311)
Free Base

>  <CAS> (1,311)
252025-52-8

>  <URL> (1,311)
https://www.selleckchem.com/products/adjudin.html

$$$$

csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,312)
1315

>  <Formula> (1,312)
C16H16N4

>  <MolWeight> (1,312)
264.32504

>  <Cat> (1,312)
S0771

>  <Name> (1,312)
BRD6989

>  <Synonyms> (1,312)
N/A

>  <Target> (1,312)
CDK. Interleukins.

>  <Form> (1,312)
Free Base

>  <CAS> (1,312)
642008-81-9

>  <URL> (1,312)
https://www.selleckchem.com/products/brd6989.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,313)
1316

>  <Formula> (1,313)
C22H16N2O2

>  <MolWeight> (1,313)
340.37464

>  <Cat> (1,313)
S0775

>  <Name> (1,313)
IRAK4-IN-4

>  <Synonyms> (1,313)
N/A

>  <Target> (1,313)
IRAK, cGAS

>  <Form> (1,313)
Free Base

>  <CAS> (1,313)
1850276-58-2

>  <URL> (1,313)
https://www.selleckchem.com/products/irak4-in-4.html

$$$$

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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
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M  END
>  <Mol_ID> (1,314)
1317

>  <Formula> (1,314)
C16H12ClNO

>  <MolWeight> (1,314)
269.72558

>  <Cat> (1,314)
S0780

>  <Name> (1,314)
Oncrasin-1

>  <Synonyms> (1,314)
N/A

>  <Target> (1,314)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (1,314)
Free Base

>  <CAS> (1,314)
75629-57-1

>  <URL> (1,314)
https://www.selleckchem.com/products/oncrasin-1.html

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csChFnd80/09132414022D

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  3 22  2  0  0  0  0
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  7  8  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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 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
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 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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M  END
>  <Mol_ID> (1,315)
1318

>  <Formula> (1,315)
C20H11N3O3

>  <MolWeight> (1,315)
341.31964

>  <Cat> (1,315)
S0781

>  <Name> (1,315)
IQ 3

>  <Synonyms> (1,315)
N/A

>  <Target> (1,315)
JNK. NF-¦ÊB. TNF-¦Á. IL-6

>  <Form> (1,315)
Free Base

>  <CAS> (1,315)
312538-03-7

>  <URL> (1,315)
https://www.selleckchem.com/products/iq-3.html

$$$$

csChFnd80/09132414022D

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 10 12  1  0  0  0  0
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 15 19  2  0  0  0  0
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M  END
>  <Mol_ID> (1,316)
1319

>  <Formula> (1,316)
C16H11Cl2N3O2S

>  <MolWeight> (1,316)
380.24844

>  <Cat> (1,316)
S0795

>  <Name> (1,316)
O-304

>  <Synonyms> (1,316)
O-304X

>  <Target> (1,316)
AMPK

>  <Form> (1,316)
Free Base

>  <CAS> (1,316)
1261289-04-6

>  <URL> (1,316)
https://www.selleckchem.com/products/o-304.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,317)
1320

>  <Formula> (1,317)
C20H23N5O

>  <MolWeight> (1,317)
349.42952

>  <Cat> (1,317)
S0798

>  <Name> (1,317)
PZ-2891

>  <Synonyms> (1,317)
N/A

>  <Target> (1,317)
others

>  <Form> (1,317)
Free Base

>  <CAS> (1,317)
2170608-82-7

>  <URL> (1,317)
https://www.selleckchem.com/products/pz-2891.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,318)
1321

>  <Formula> (1,318)
C15H21N3O6

>  <MolWeight> (1,318)
339.34374

>  <Cat> (1,318)
S0827

>  <Name> (1,318)
LM22A-4

>  <Synonyms> (1,318)
LM 22A4

>  <Target> (1,318)
Trk receptor

>  <Form> (1,318)
Free Base

>  <CAS> (1,318)
37988-18-4

>  <URL> (1,318)
https://www.selleckchem.com/products/lm-22a4.html

$$$$

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C18H13F2NO3

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MA-5

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Mitophagy. MAPK. ERK. Yap

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1354707-41-7

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https://www.selleckchem.com/products/mitochonic-acid-5.html

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MLS000532223

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N/A

>  <Target> (1,320)
Rho

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Free Base

>  <CAS> (1,320)
16616-39-0

>  <URL> (1,320)
https://www.selleckchem.com/products/mls000532223.html

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csChFnd80/09132414022D

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1324

>  <Formula> (1,321)
C19H17N3O

>  <MolWeight> (1,321)
303.35778

>  <Cat> (1,321)
S0977

>  <Name> (1,321)
AC1903

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N/A

>  <Target> (1,321)
TRP Channel

>  <Form> (1,321)
Free Base

>  <CAS> (1,321)
831234-13-0

>  <URL> (1,321)
https://www.selleckchem.com/products/ac1903.html

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csChFnd80/09132414022D

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JX06

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PDK

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Free Base

>  <CAS> (1,322)
729-46-4

>  <URL> (1,322)
https://www.selleckchem.com/products/jx06.html

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csChFnd80/09132414022D

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1326

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C22H31N9O

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Bcr-Abl. Aurora Kinase. IGF-1R. Src.

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898280-07-4

>  <URL> (1,323)
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    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> (1,324)
1327

>  <Formula> (1,324)
C29H30O13

>  <MolWeight> (1,324)
586.5407

>  <Cat> (1,324)
S1273

>  <Name> (1,324)
Amarogentin

>  <Synonyms> (1,324)
AG

>  <Target> (1,324)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (1,324)
Free Base

>  <CAS> (1,324)
21018-84-8

>  <URL> (1,324)
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> (1,325)
1328

>  <Formula> (1,325)
C13H8O3

>  <MolWeight> (1,325)
212.20082

>  <Cat> (1,325)
S1321

>  <Name> (1,325)
Urolithin B

>  <Synonyms> (1,325)
N/A

>  <Target> (1,325)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (1,325)
Free Base

>  <CAS> (1,325)
1139-83-9

>  <URL> (1,325)
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> (1,326)
1329

>  <Formula> (1,326)
C16H12O3

>  <MolWeight> (1,326)
252.26468

>  <Cat> (1,326)
S1323

>  <Name> (1,326)
7-Methoxyisoflavone

>  <Synonyms> (1,326)
MIF

>  <Target> (1,326)
AMPK

>  <Form> (1,326)
Free Base

>  <CAS> (1,326)
1621-56-3

>  <URL> (1,326)
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> (1,327)
1330

>  <Formula> (1,327)
C5H6Na2O5

>  <MolWeight> (1,327)
192.07768

>  <Cat> (1,327)
S1325

>  <Name> (1,327)
L-2-Hydroxyglutaric acid disodium

>  <Synonyms> (1,327)
(S)-2-Hydroxyglutaric acid disodium, L-2-Hydroxyglutarate disodium, LG

>  <Target> (1,327)
Histone Demethylase

>  <Form> (1,327)
Disodium

>  <CAS> (1,327)
63512-50-5

>  <URL> (1,327)
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> (1,328)
1331

>  <Formula> (1,328)
C30H36Br2N4O2

>  <MolWeight> (1,328)
644.44044

>  <Cat> (1,328)
S2942

>  <Name> (1,328)
EB-3D

>  <Synonyms> (1,328)
N/A

>  <Target> (1,328)
Choline kinase. AMPK. Apoptosis related

>  <Form> (1,328)
Free Base

>  <CAS> (1,328)
1839150-63-8

>  <URL> (1,328)
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> (1,329)
1332

>  <Formula> (1,329)
C13H17Cl2N3O2S

>  <MolWeight> (1,329)
350.26398

>  <Cat> (1,329)
S2964

>  <Name> (1,329)
HA-100 dihydrochloride

>  <Synonyms> (1,329)
N/A

>  <Target> (1,329)
PKG, PKA, PKC, MLCK

>  <Form> (1,329)
Dihydrochlori

>  <CAS> (1,329)
210297-47-5

>  <URL> (1,329)
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> (1,330)
1333

>  <Formula> (1,330)
C12H14N2O2

>  <MolWeight> (1,330)
218.25176

>  <Cat> (1,330)
S2985

>  <Name> (1,330)
N-Acetyl-5-hydroxytryptamine

>  <Synonyms> (1,330)
NAS, N-Acetylserotonin, Normelatonin, O-Demethylmelatonin

>  <Target> (1,330)
Trk receptor

>  <Form> (1,330)
Free Base

>  <CAS> (1,330)
1210-83-9

>  <URL> (1,330)
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> (1,331)
1334

>  <Formula> (1,331)
C3H4O3

>  <MolWeight> (1,331)
88.06206

>  <Cat> (1,331)
S3143

>  <Name> (1,331)
Pyruvic acid

>  <Synonyms> (1,331)
Acetylformic acid

>  <Target> (1,331)
LDH. Casein Kinase. ATPase.

>  <Form> (1,331)
Free Base

>  <CAS> (1,331)
127-17-3

>  <URL> (1,331)
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> (1,332)
1335

>  <Formula> (1,332)
C16H30O2

>  <MolWeight> (1,332)
254.4082

>  <Cat> (1,332)
S3341

>  <Name> (1,332)
Palmitoleic acid

>  <Synonyms> (1,332)
POA, Palmitoleate

>  <Target> (1,332)
AMPK

>  <Form> (1,332)
Free Base

>  <CAS> (1,332)
373-49-9

>  <URL> (1,332)
https://www.selleckchem.com/products/palmitoleic-acid.html

$$$$

csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.6340    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    4.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045    2.1152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4082    2.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6340    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486    4.1964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6294    2.1051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0555    4.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0555    6.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2762    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5005    6.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5005    4.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2786    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    6.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2336    5.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6243    5.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9267    7.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7149    7.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8551    8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125    9.2223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
  7 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 23 24  3  0  0  0  0
 18 23  1  0  0  0  0
 15 18  1  0  0  0  0
  9 12  1  0  0  0  0
 11 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
M  END
>  <Mol_ID> (1,333)
1336

>  <Formula> (1,333)
C24H23N5O

>  <MolWeight> (1,333)
397.47232

>  <Cat> (1,333)
S5248

>  <Name> (1,333)
Apatinib

>  <Synonyms> (1,333)
YN968D1

>  <Target> (1,333)
VEGFR/c-RET

>  <Form> (1,333)
Free Base

>  <CAS> (1,333)
811803-05-1

>  <URL> (1,333)
https://www.selleckchem.com/products/apatinib.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> (1,334)
1337

>  <Formula> (1,334)
C17H20N6O2S

>  <MolWeight> (1,334)
372.4447

>  <Cat> (1,334)
S6517

>  <Name> (1,334)
GNE-493

>  <Synonyms> (1,334)
N/A

>  <Target> (1,334)
PI3K. mTOR.

>  <Form> (1,334)
Free Base

>  <CAS> (1,334)
1033735-94-2

>  <URL> (1,334)
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
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M  END
>  <Mol_ID> (1,335)
1338

>  <Formula> (1,335)
C26H24IN7O

>  <MolWeight> (1,335)
577.41953

>  <Cat> (1,335)
S6912

>  <Name> (1,335)
Vacuolin-1

>  <Synonyms> (1,335)
N/A

>  <Target> (1,335)
PIKfyve. Autophagy

>  <Form> (1,335)
Free Base

>  <CAS> (1,335)
351986-85-1

>  <URL> (1,335)
https://www.selleckchem.com/products/vacuolin-1.html

$$$$

csChFnd80/09132414022D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,336)
1339

>  <Formula> (1,336)
C21H19F2NO3

>  <MolWeight> (1,336)
371.3772664

>  <Cat> (1,336)
S6920

>  <Name> (1,336)
SEA0400

>  <Synonyms> (1,336)
N/A

>  <Target> (1,336)
Calcium Channel. Sodium Channel. ERK. p38 MA

>  <Form> (1,336)
Free Base

>  <CAS> (1,336)
223104-29-8

>  <URL> (1,336)
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> (1,337)
1340

>  <Formula> (1,337)
C22H27ClN4O5

>  <MolWeight> (1,337)
462.92658

>  <Cat> (1,337)
S6921

>  <Name> (1,337)
Dorzagliatin

>  <Synonyms> (1,337)
HMS-5552, RO-5305552, Sinogliatin

>  <Target> (1,337)
Carbohydrate Metabolism

>  <Form> (1,337)
Free Base

>  <CAS> (1,337)
1191995-00-2

>  <URL> (1,337)
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> (1,338)
1341

>  <Formula> (1,338)
R

>  <Cat> (1,338)
S6955

>  <Name> (1,338)
Insulin (human)

>  <Synonyms> (1,338)
Insulin regular

>  <Target> (1,338)
IGF-1R

>  <Form> (1,338)
Free Base

>  <CAS> (1,338)
11061-68-0

>  <URL> (1,338)
https://www.selleckchem.com/products/insulin.html

$$$$

csChFnd80/09132414022D

 60 65  0  0  0  0  0  0  0  0999 V2000
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CDK. PROTAC. E3 Ligase

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2139287-33-3

>  <URL> (1,339)
https://www.selleckchem.com/products/thal-sns-032.html

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1343

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>  <Synonyms> (1,340)
N/A

>  <Target> (1,340)
Src

>  <Form> (1,340)
Free Base

>  <CAS> (1,340)
unknown

>  <URL> (1,340)
https://www.selleckchem.com/products/dgy-06-116.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,341)
1344

>  <Formula> (1,341)
C29H36F3N3O8S

>  <MolWeight> (1,341)
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Ezatiostat

>  <Synonyms> (1,341)
TER199, TLK199, Telintra

>  <Target> (1,341)
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>  <CAS> (1,341)
168682-53-9

>  <URL> (1,341)
https://www.selleckchem.com/products/ezatiostat.html

$$$$

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unknown

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2160546-07-4

>  <URL> (1,343)
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PI3K

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2103-64-2

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M  END
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E3 Ligase 

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>  <CAS> (1,346)
222716-34-9

>  <URL> (1,346)
http://www.selleckchem.com/products/szl-p1-41.html

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N/A

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Syk

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Free Base

>  <CAS> (1,347)
2254693-15-5

>  <URL> (1,347)
http://www.selleckchem.com/products/srx3207.html

$$$$

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>  <Cat> (1,348)
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>  <Synonyms> (1,348)
N/A

>  <Target> (1,348)
EGFR

>  <Form> (1,348)
Free Base

>  <CAS> (1,348)
2414572-47-5

>  <URL> (1,348)
http://www.selleckchem.com/products/bdtx-189.html

$$$$

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1352

>  <Formula> (1,349)
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>  <Name> (1,349)
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>  <Synonyms> (1,349)
CI-1033 dihydrochloride, PD-183805 dihydrochloride

>  <Target> (1,349)
EGFR

>  <Form> (1,349)
Dihydrochloride

>  <CAS> (1,349)
289499-45-2

>  <URL> (1,349)
http://www.selleckchem.com/products/canertinib-dihydrochloride.html

$$$$

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  2 22  2  0  0  0  0
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  4 15  2  0  0  0  0
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  7 20  1  0  0  0  0
  7 25  2  0  0  0  0
  8 25  1  0  0  0  0
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  9 30  2  0  0  0  0
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 31 33  2  0  0  0  0
M  END
>  <Mol_ID> (1,350)
1353

>  <Formula> (1,350)
C24H29N7O2

>  <MolWeight> (1,350)
447.53276

>  <Cat> (1,350)
S4482

>  <Name> (1,350)
Palbociclib

>  <Synonyms> (1,350)
Ibrance, PD 0332991

>  <Target> (1,350)
CDK

>  <Form> (1,350)
Free Base

>  <CAS> (1,350)
571190-30-2

>  <URL> (1,350)
http://www.selleckchem.com/products/palbociclib.html

$$$$

csChFnd80/09132414022D

 19 22  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
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  4  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
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  8 10  1  0  0  0  0
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 15 16  2  0  0  0  0
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M  END
>  <Mol_ID> (1,351)
1354

>  <Formula> (1,351)
C13H8N4OS

>  <MolWeight> (1,351)
268.29382

>  <Cat> (1,351)
S9668

>  <Name> (1,351)
PKR-IN-C16

>  <Synonyms> (1,351)
imoxin, C16, Imidazolo-oxindole PKR inhibitor C16

>  <Target> (1,351)
PKR

>  <Form> (1,351)
Free Base

>  <CAS> (1,351)
608512-97-6

>  <URL> (1,351)
http://www.selleckchem.com/products/pkr-in-c16.html

$$$$

csChFnd80/09132414022D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  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
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  5 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,352)
1355

>  <Formula> (1,352)
C17H15ClO2

>  <MolWeight> (1,352)
286.7528

>  <Cat> (1,352)
S7586

>  <Name> (1,352)
PS-48

>  <Synonyms> (1,352)
N/A

>  <Target> (1,352)
PDK

>  <Form> (1,352)
Free Base

>  <CAS> (1,352)
1180676-32-7

>  <URL> (1,352)
http://www.selleckchem.com/products/ps48.html

$$$$

csChFnd80/09132414022D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,353)
1356

>  <Formula> (1,353)
C16H22O3

>  <MolWeight> (1,353)
262.34408

>  <Cat> (1,353)
S4572

>  <Name> (1,353)
Homosalate

>  <Synonyms> (1,353)
HMS, Homomenthyl salicylate

>  <Target> (1,353)
PI3K

>  <Form> (1,353)
Free Base

>  <CAS> (1,353)
118-56-9

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

$$$$

csChFnd80/09132414022D

 41 44  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,354)
1357

>  <Formula> (1,354)
C28H29FIN5O5S

>  <MolWeight> (1,354)
693.5282332

>  <Cat> (1,354)
S4484

>  <Name> (1,354)
Trametinib DMSO solvate

>  <Synonyms> (1,354)
GSK1120212, JTP-74057, Mekinist

>  <Target> (1,354)
MEK

>  <Form> (1,354)
Free Base

>  <CAS> (1,354)
1187431-43-1

>  <URL> (1,354)
http://www.selleckchem.com/products/trametinib-dmso-solvate.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,355)
1358

>  <Formula> (1,355)
C23H31ClN8O

>  <MolWeight> (1,355)
470.99824

>  <Cat> (1,355)
S5187

>  <Name> (1,355)
Ribociclib hydrochloride

>  <Synonyms> (1,355)
LEE011 hydrochloride

>  <Target> (1,355)
CDK

>  <Form> (1,355)
Hydrochloride

>  <CAS> (1,355)
1211443-80-9

>  <URL> (1,355)
http://www.selleckchem.com/products/ribociclib-hydrochloride.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,356)
1359

>  <Formula> (1,356)
C21H22F2N6O2

>  <MolWeight> (1,356)
428.4351864

>  <Cat> (1,356)
S5860

>  <Name> (1,356)
Larotrectinib

>  <Synonyms> (1,356)
Vitrakvi, LOXO-101, ARRY-470

>  <Target> (1,356)
Trk receptor

>  <Form> (1,356)
Free Base

>  <CAS> (1,356)
1223403-58-4

>  <URL> (1,356)
http://www.selleckchem.com/products/larotrectinib.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,357)
1360

>  <Formula> (1,357)
C21H19NO5

>  <MolWeight> (1,357)
365.37926

>  <Cat> (1,357)
S0235

>  <Name> (1,357)
Lavendustin B

>  <Synonyms> (1,357)
N/A

>  <Target> (1,357)
Integrase

>  <Form> (1,357)
Free Base

>  <CAS> (1,357)
125697-91-8

>  <URL> (1,357)
http://www.selleckchem.com/products/lavendustin-b.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,358)
1361

>  <Formula> (1,358)
C16H13Cl2N3O2

>  <MolWeight> (1,358)
350.19932

>  <Cat> (1,358)
S0374

>  <Name> (1,358)
GDC046

>  <Synonyms> (1,358)
N/A

>  <Target> (1,358)
JAK

>  <Form> (1,358)
Free Base

>  <CAS> (1,358)
1258292-64-6

>  <URL> (1,358)
http://www.selleckchem.com/products/gdc046.html

$$$$

csChFnd80/09132414022D

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   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 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
   12.1244    7.0000    0.0000 F   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
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 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 11  1  0  0  0  0
 15 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,359)
1362

>  <Formula> (1,359)
C19H18FN3O2

>  <MolWeight> (1,359)
339.3635232

>  <Cat> (1,359)
S0995

>  <Name> (1,359)
BioE-1115

>  <Synonyms> (1,359)
N/A

>  <Target> (1,359)
Serine/threonin kinase

>  <Form> (1,359)
Free Base

>  <CAS> (1,359)
1268863-35-9

>  <URL> (1,359)
http://www.selleckchem.com/products/bioe-1115.html

$$$$

csChFnd80/09132414022D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.8778    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6480    5.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5059    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4356    2.0355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8605    3.4355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0730    4.1355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1742    3.3869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1742    6.2840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0108    3.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2232    4.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7398    4.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4356    3.4355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
    2.3048    5.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4348    3.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   14.9227    5.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  5 17  1  0  0  0  0
  6 22  2  0  0  0  0
  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
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 25  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,360)
1363

>  <Formula> (1,360)
C20H19ClN6O

>  <MolWeight> (1,360)
394.85746

>  <Cat> (1,360)
S8988

>  <Name> (1,360)
Rhosin hydrochloride

>  <Synonyms> (1,360)
G04 hydrochloride, Rhosin HCl

>  <Target> (1,360)
Rho

>  <Form> (1,360)
Hydrochloride

>  <CAS> (1,360)
1281870-42-5

>  <URL> (1,360)
http://www.selleckchem.com/products/rhosin-hydrochloride.html

$$$$

csChFnd80/09132414022D

 40 43  0  0  0  0  0  0  0  0999 V2000
   15.1539    6.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5754    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6377    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7878    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4253    3.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
   14.0065    3.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0539    8.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    7.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    8.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2368    9.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4539    8.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    9.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    7.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5540    9.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4539   10.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0003    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2127    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7878    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4253    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2 39  1  0  0  0  0
  3 40  1  0  0  0  0
  4 39  2  0  0  0  0
  5 40  2  0  0  0  0
  6 14  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 20  2  0  0  0  0
  7 25  1  0  0  0  0
  8 23  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  2  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 32  1  0  0  0  0
 11 25  1  0  0  0  0
 11 33  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 33  2  0  0  0  0
 13 35  1  0  0  0  0
 14 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 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  2  0  0  0  0
 33 36  1  0  0  0  0
 34 36  2  0  0  0  0
 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> (1,361)
1364

>  <Formula> (1,361)
C27H36N8O5

>  <MolWeight> (1,361)
552.62534

>  <Cat> (1,361)
S5188

>  <Name> (1,361)
Ribociclib succinate

>  <Synonyms> (1,361)
LEE011 succinate, Kisqali

>  <Target> (1,361)
CDK

>  <Form> (1,361)
Succinate

>  <CAS> (1,361)
1374639-75-4

>  <URL> (1,361)
http://www.selleckchem.com/products/ribociclib-succinate.html

$$$$

csChFnd80/09132414022D

 40 41  0  0  0  0  0  0  0  0999 V2000
    9.6995   11.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4133   12.5627    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0133   12.5627    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.6995    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.5000    0.0000 N   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
    6.0623    2.1000    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
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    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
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 21  1  0  0  0  0
  5 25  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 23  1  0  0  0  0
  9 27  1  0  0  0  0
 10 27  1  0  0  0  0
 10 35  2  0  0  0  0
 11 31  1  0  0  0  0
 11 35  1  0  0  0  0
 12 27  2  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 18  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  1  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  0  0  0  0
 28 31  1  0  0  0  0
 28 34  2  0  0  0  0
 31 36  2  0  0  0  0
 34 37  1  0  0  0  0
 35 38  1  0  0  0  0
 36 39  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (1,362)
1365

>  <Formula> (1,362)
C28H38Cl3N5O3S

>  <MolWeight> (1,362)
631.05702

>  <Cat> (1,362)
S4967

>  <Name> (1,362)
Ceritinib dihydrochloride

>  <Synonyms> (1,362)
Zykadia, LDK378 dihydrochloride

>  <Target> (1,362)
ALK

>  <Form> (1,362)
Dihydrochloride

>  <CAS> (1,362)
1380575-43-8

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

$$$$

csChFnd80/09132414022D

 31 33  0  0  0  0  0  0  0  0999 V2000
   13.6674    4.6874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    8.8874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9587    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  4 29  1  0  0  0  0
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 23  5  1  6  0  0  0
  6  8  1  0  0  0  0
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  6 16  1  0  0  0  0
  7 14  1  0  0  0  0
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  8 18  2  0  0  0  0
  9 21  2  0  0  0  0
  9 24  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  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
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (1,363)
1366

>  <Formula> (1,363)
C21H23Cl3FN5O

>  <MolWeight> (1,363)
486.7976232

>  <Cat> (1,363)
S5190

>  <Name> (1,363)
Crizotinib hydrochloride

>  <Synonyms> (1,363)
Xalkori, PF-02341066 hydrochloride

>  <Target> (1,363)
c-Met

>  <Form> (1,363)
Hydrochloride

>  <CAS> (1,363)
1415560-69-8

>  <URL> (1,363)
http://www.selleckchem.com/products/crizotinib-hydrochloride.html

$$$$

csChFnd80/09132414022D

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 11 12  1  0  0  0  0
  9 11  1  0  0  0  0
  1  7  1  0  0  0  0
 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
 25 30  2  0  0  0  0
 30 31  1  0  0  0  0
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  4 25  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
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 33 38  2  0  0  0  0
 39 40  1  0  0  0  0
 36 39  1  0  0  0  0
 41 42  1  0  0  0  0
 34 41  1  0  0  0  0
  1 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,364)
1367

>  <Formula> (1,364)
C32H37N7O3

>  <MolWeight> (1,364)
567.68128

>  <Cat> (1,364)
S8393

>  <Name> (1,364)
HG-9-91-01

>  <Synonyms> (1,364)
SIK inhibitor 1

>  <Target> (1,364)
SIK

>  <Form> (1,364)
Free Base

>  <CAS> (1,364)
1456858-58-4

>  <URL> (1,364)
http://www.selleckchem.com/products/hg-9-91-01.html

$$$$

csChFnd80/09132414022D

 43 48  0  0  0  0  0  0  0  0999 V2000
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 31 34  1  0  0  0  0
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M  END
>  <Mol_ID> (1,365)
1368

>  <Formula> (1,365)
C31H40N8O3S

>  <MolWeight> (1,365)
604.7661

>  <Cat> (1,365)
S8917

>  <Name> (1,365)
ME-401

>  <Synonyms> (1,365)
PWT-143, P110¦Ä-IN-1

>  <Target> (1,365)
PI3K

>  <Form> (1,365)
Free Base

>  <CAS> (1,365)
1595129-71-7

>  <URL> (1,365)
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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>  <Mol_ID> (1,366)
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>  <Formula> (1,366)
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>  <MolWeight> (1,366)
443.5043

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S9715

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GS-SYK

>  <Target> (1,366)
Syk

>  <Form> (1,366)
Free Base

>  <CAS> (1,366)
1800046-95-0

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

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,367)
1370

>  <Formula> (1,367)
C20H21N7O

>  <MolWeight> (1,367)
375.42704

>  <Cat> (1,367)
S9864

>  <Name> (1,367)
Elimusertib (BAY-1895344)

>  <Synonyms> (1,367)
N/A

>  <Target> (1,367)
ATM/ATR

>  <Form> (1,367)
Free Base

>  <CAS> (1,367)
1876467-74-1

>  <URL> (1,367)
http://www.selleckchem.com/products/elimusertib-bay-1895344-.html

$$$$

csChFnd80/09132414022D

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1371

>  <Formula> (1,368)
C32H34ClN7O3

>  <MolWeight> (1,368)
600.11046

>  <Cat> (1,368)
S9646

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>  <Synonyms> (1,368)
N/A

>  <Target> (1,368)
SIK

>  <Form> (1,368)
Free Base

>  <CAS> (1,368)
1936529-65-5

>  <URL> (1,368)
http://www.selleckchem.com/products/ykl-05-099.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,369)
1372

>  <Formula> (1,369)
C4H11N5

>  <MolWeight> (1,369)
129.16364

>  <Cat> (1,369)
S5958

>  <Name> (1,369)
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1,1-Dimethylbiguanide

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AMPK

>  <Form> (1,369)
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>  <CAS> (1,369)
657-24-9

>  <URL> (1,369)
http://www.selleckchem.com/products/metformin.html

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>  <Name> (1,370)
Balsalazide

>  <Synonyms> (1,370)
Colazal, Giazo

>  <Target> (1,370)
Immunology & Inflammation related

>  <Form> (1,370)
Free Base

>  <CAS> (1,370)
80573-04-2

>  <URL> (1,370)
http://www.selleckchem.com/products/balsalazide.html

$$$$

csChFnd80/09132414022D

 34 35  0  0  0  0  0  0  0  0999 V2000
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   13.3146    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   16.9743    6.8645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16 21  2  0  0  0  0
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 18 24  1  0  0  0  0
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 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 28 29  2  0  0  0  0
 28 31  1  0  0  0  0
 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> (1,371)
1374

>  <Formula> (1,371)
C21H16Cl2F4N4O3

>  <MolWeight> (1,371)
519.2763528

>  <Cat> (1,371)
S4947

>  <Name> (1,371)
Regorafenib Hydrochloride

>  <Synonyms> (1,371)
Stivarga, BAY 73-4506 hydrochloride

>  <Target> (1,371)
VEGFR

>  <Form> (1,371)
Hydrochloride

>  <CAS> (1,371)
835621-07-3

>  <URL> (1,371)
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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   10.5336    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5336    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  2  0  0  0  0
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  4 13  1  0  0  0  0
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  6  7  1  0  0  0  0
  6  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
 10 11  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,372)
1375

>  <Formula> (1,372)
C14H13N3OS

>  <MolWeight> (1,372)
271.33752

>  <Cat> (1,372)
S0981

>  <Name> (1,372)
BD750

>  <Synonyms> (1,372)
N/A

>  <Target> (1,372)
JAK

>  <Form> (1,372)
Free Base

>  <CAS> (1,372)
892686-59-8

>  <URL> (1,372)
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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   19.7561    1.3650    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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 43 45  1  0  0  0  0
 44 45  2  0  0  0  0
M  END
>  <Mol_ID> (1,373)
1376

>  <Formula> (1,373)
C23H36FN6Na2O15P

>  <MolWeight> (1,373)
732.5148442

>  <Cat> (1,373)
S4944

>  <Name> (1,373)
Fostamatinib disodium hexahydrate

>  <Synonyms> (1,373)
Tavalisse, R788 disodium hexahydrate, Tamatinib Fosdium hexahydrate

>  <Target> (1,373)
Syk

>  <Form> (1,373)
Disodium hexahydrate

>  <CAS> (1,373)
914295-16-2

>  <URL> (1,373)
http://www.selleckchem.com/products/fostamatinib-disodium-hexahydrate.html

$$$$

csChFnd80/09132414022D

 41 43  0  0  0  0  0  0  0  0999 V2000
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 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (1,374)
1377

>  <Formula> (1,374)
C28H25ClF3N7O2

>  <MolWeight> (1,374)
583.9920096

>  <Cat> (1,374)
S4895

>  <Name> (1,374)
Nilotinib hydrochloride monohydrate

>  <Synonyms> (1,374)
Tasigna, AMN-107 hydrochloride monohydrate

>  <Target> (1,374)
Bcr-Abl

>  <Form> (1,374)
Hydrochloride monohydrate

>  <CAS> (1,374)
923288-90-8

>  <URL> (1,374)
http://www.selleckchem.com/products/nilotinib-hydrochloride-monohydrate.html

$$$$

csChFnd80/09132414022D

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 13  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,375)
1378

>  <Formula> (1,375)
C22H28Cl2O4

>  <MolWeight> (1,375)
427.36132

>  <Cat> (1,375)
E0001

>  <Name> (1,375)
DCPIB

>  <Synonyms> (1,375)
N/A

>  <Target> (1,375)
Potassium Channel

>  <Form> (1,375)
Free Base

>  <CAS> (1,375)
82749-70-0

>  <URL> (1,375)
http://www.selleckchem.com/products/dcpib.html

$$$$

csChFnd80/09132414022D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1   1  -1
M  CHG  1   2   1
M  RAD  1   3   1
M  END
>  <Mol_ID> (1,376)
1379

>  <Formula> (1,376)
C29H35ClN2O2P **

>  <MolWeight> (1,376)
510.027161

>  <Cat> (1,376)
S9733

>  <Name> (1,376)
Mito-TEMPO

>  <Synonyms> (1,376)
N/A

>  <Target> (1,376)
RIP kinase

>  <Form> (1,376)
Free Base

>  <CAS> (1,376)
1334850-99-5

>  <URL> (1,376)
http://www.selleckchem.com/products/mito-tempo.html

$$$$

csChFnd80/09132414022D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,377)
1380

>  <Formula> (1,377)
C24H25N7O5

>  <MolWeight> (1,377)
491.4992

>  <Cat> (1,377)
S9779

>  <Name> (1,377)
Emavusertib (CA-4948)

>  <Synonyms> (1,377)
N/A

>  <Target> (1,377)
IRAK

>  <Form> (1,377)
Free Base

>  <CAS> (1,377)
1801344-14-8

>  <URL> (1,377)
http://www.selleckchem.com/products/ca-4948.html

$$$$

csChFnd80/09132414022D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
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1381

>  <Formula> (1,378)
C25H20N6O3

>  <MolWeight> (1,378)
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>  <Cat> (1,378)
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>  <Name> (1,378)
JH-X-119-01

>  <Synonyms> (1,378)
N/A

>  <Target> (1,378)
IRAK

>  <Form> (1,378)
Free Base

>  <CAS> (1,378)
2227368-54-7

>  <URL> (1,378)
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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 35  4  2  0  0  0  0
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 12  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,379)
1382

>  <Formula> (1,379)
C30H26O10

>  <MolWeight> (1,379)
546.52144

>  <Cat> (1,379)
E0010

>  <Name> (1,379)
Hypocrellin A

>  <Synonyms> (1,379)
N/A

>  <Target> (1,379)
PKC

>  <Form> (1,379)
Free Base

>  <CAS> (1,379)
77029-83-5

>  <URL> (1,379)
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> (1,380)
1383

>  <Formula> (1,380)
C15H16O3

>  <MolWeight> (1,380)
244.28574

>  <Cat> (1,380)
E0011

>  <Name> (1,380)
Linderalactone

>  <Synonyms> (1,380)
N/A

>  <Target> (1,380)
Bcl-2

>  <Form> (1,380)
Free Base

>  <CAS> (1,380)
728-61-0

>  <URL> (1,380)
http://www.selleckchem.com/products/linderalactone.html

$$$$

csChFnd80/09132414022D

 35 39  0  0  0  0  0  0  0  0999 V2000
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  7  8  1  6  0  0  0
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 31 35  1  6  0  0  0
M  END
>  <Mol_ID> (1,381)
1384

>  <Formula> (1,381)
C30H48O

>  <MolWeight> (1,381)
424.70152

>  <Cat> (1,381)
E0020

>  <Name> (1,381)
Lupenone

>  <Synonyms> (1,381)
Lup-20(29)-en-3-one, lupeone

>  <Target> (1,381)
Immunology & Inflammation related

>  <Form> (1,381)
Free Base

>  <CAS> (1,381)
1617-70-5

>  <URL> (1,381)
http://www.selleckchem.com/products/lupenone.html

$$$$

csChFnd80/09132414022D

 60 68  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,382)
1385

>  <Formula> (1,382)
C44H70O16

>  <MolWeight> (1,382)
855.017

>  <Cat> (1,382)
E0022

>  <Name> (1,382)
Ophiopogonin D

>  <Synonyms> (1,382)
OJV-VI, Deacetylophiopogonin C

>  <Target> (1,382)
AMPK

>  <Form> (1,382)
Free Base

>  <CAS> (1,382)
945619-74-9

>  <URL> (1,382)
http://www.selleckchem.com/products/ophiopogonin-d.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,383)
1386

>  <Formula> (1,383)
C90H154N30O17

>  <MolWeight> (1,383)
1928.37656

>  <Cat> (1,383)
P1083

>  <Name> (1,383)
ZIP

>  <Synonyms> (1,383)
N/A

>  <Target> (1,383)
PKM

>  <Form> (1,383)
Free Base

>  <CAS> (1,383)
863987-12-6

>  <URL> (1,383)
http://www.selleckchem.com/peptide/ZIP.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,384)
1387

>  <Formula> (1,384)
C32H29NO5

>  <MolWeight> (1,384)
507.57636

>  <Cat> (1,384)
S0326

>  <Name> (1,384)
Olodanrigan (EMA401)

>  <Synonyms> (1,384)
PD-126055, (S) PD-126055

>  <Target> (1,384)
Angiotensin Receptor

>  <Form> (1,384)
Free Base

>  <CAS> (1,384)
1316755-16-4

>  <URL> (1,384)
http://www.selleckchem.com/products/ema401.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,385)
1388

>  <Formula> (1,385)
C24H15F2N3

>  <MolWeight> (1,385)
383.3928064

>  <Cat> (1,385)
S0350

>  <Name> (1,385)
CK1-IN-1

>  <Synonyms> (1,385)
PUN51207, Compound 1C

>  <Target> (1,385)
Casein Kinase

>  <Form> (1,385)
Free Base

>  <CAS> (1,385)
1784751-20-7

>  <URL> (1,385)
http://www.selleckchem.com/products/ck1-in-1.html

$$$$

csChFnd80/09132414022D

 25 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,386)
1389

>  <Formula> (1,386)
C20H13N3O2

>  <MolWeight> (1,386)
327.33612

>  <Cat> (1,386)
S0754

>  <Name> (1,386)
Bisindolylmaleimide IV

>  <Synonyms> (1,386)
Arcyriarubin A, BIM IV, Compound 5/1a

>  <Target> (1,386)
CMV

>  <Form> (1,386)
Free Base

>  <CAS> (1,386)
119139-23-0

>  <URL> (1,386)
http://www.selleckchem.com/products/bisindolylmaleimide-iv.html

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csChFnd80/09132414022D

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M  CFW  10 B_NG_STER 3
M  END
>  <Mol_ID> (1,387)
1390

>  <Formula> (1,387)
C15H10O4

>  <MolWeight> (1,387)
254.2375

>  <Cat> (1,387)
S0817

>  <Name> (1,387)
SKI-V

>  <Synonyms> (1,387)
N/A

>  <Target> (1,387)
SPHK

>  <Form> (1,387)
Free Base

>  <CAS> (1,387)
24418-86-8

>  <URL> (1,387)
http://www.selleckchem.com/products/ski-v.html

$$$$

csChFnd80/09132414022D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,388)
1391

>  <Formula> (1,388)
C20H22N4O2

>  <MolWeight> (1,388)
350.41428

>  <Cat> (1,388)
S1976

>  <Name> (1,388)
LCH-7749944

>  <Synonyms> (1,388)
GNF-PF-2356

>  <Target> (1,388)
PAK

>  <Form> (1,388)
Free Base

>  <CAS> (1,388)
796888-12-5

>  <URL> (1,388)
http://www.selleckchem.com/products/lch-7749944.html

$$$$

csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,389)
1392

>  <Formula> (1,389)
C16H17F3N4O2

>  <MolWeight> (1,389)
354.3269896

>  <Cat> (1,389)
S3393

>  <Name> (1,389)
SBP-7455

>  <Synonyms> (1,389)
N/A

>  <Target> (1,389)
ULK

>  <Form> (1,389)
Free Base

>  <CAS> (1,389)
1884222-74-5

>  <URL> (1,389)
http://www.selleckchem.com/products/sbp-7455.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,390)
1393

>  <Formula> (1,390)
C20H27N7O3S

>  <MolWeight> (1,390)
445.53848

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>  <Name> (1,390)
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>  <Synonyms> (1,390)
PRT2070

>  <Target> (1,390)
JAK

>  <Form> (1,390)
Free Base

>  <CAS> (1,390)
1198300-79-6

>  <URL> (1,390)
http://www.selleckchem.com/products/cerdulatinib.html

$$$$

csChFnd80/09132414022D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,391)
1394

>  <Formula> (1,391)
C22H23N5O8

>  <MolWeight> (1,391)
485.44672

>  <Cat> (1,391)
S4460

>  <Name> (1,391)
IMM-H007

>  <Synonyms> (1,391)
N/A

>  <Target> (1,391)
AMPK

>  <Form> (1,391)
Free Base

>  <CAS> (1,391)
1221412-23-2

>  <URL> (1,391)
http://www.selleckchem.com/products/imm-h007.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,392)
1395

>  <Formula> (1,392)
C22H20BrN3O3S

>  <MolWeight> (1,392)
486.3815

>  <Cat> (1,392)
S6000

>  <Name> (1,392)
CID44216842

>  <Synonyms> (1,392)
Cdc42-IN-1

>  <Target> (1,392)
Rho

>  <Form> (1,392)
Free Base

>  <CAS> (1,392)
1222513-26-9

>  <URL> (1,392)
http://www.selleckchem.com/products/cid44216842.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,393)
1396

>  <Formula> (1,393)
C19H20N6OS

>  <MolWeight> (1,393)
380.4667

>  <Cat> (1,393)
S6060

>  <Name> (1,393)
HPK1-IN-2

>  <Synonyms> (1,393)
N/A

>  <Target> (1,393)
Serine/threonin kinase

>  <Form> (1,393)
Free Base

>  <CAS> (1,393)
2056122-11-1

>  <URL> (1,393)
http://www.selleckchem.com/products/hpk1-in-2.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,394)
1397

>  <Formula> (1,394)
C12H22ClN3OS

>  <MolWeight> (1,394)
291.84058

>  <Cat> (1,394)
S6078

>  <Name> (1,394)
ICCB-19 hydrochloride

>  <Synonyms> (1,394)
N/A

>  <Target> (1,394)
RIP kinase

>  <Form> (1,394)
Hydrochloride

>  <CAS> (1,394)
1803605-68-6

>  <URL> (1,394)
http://www.selleckchem.com/products/iccb-19-hydrochloride.html

$$$$

csChFnd80/09132414022D

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 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,395)
1398

>  <Formula> (1,395)
C17H11Cl2N3O2

>  <MolWeight> (1,395)
360.19414

>  <Cat> (1,395)
S6085

>  <Name> (1,395)
KY19382 (A3051)

>  <Synonyms> (1,395)
N/A

>  <Target> (1,395)
GSK-3

>  <Form> (1,395)
Free Base

>  <CAS> (1,395)
2226664-93-1

>  <URL> (1,395)
http://www.selleckchem.com/products/ky19382-a3051.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,396)
1399

>  <Formula> (1,396)
C16H23Cl2N3O2S

>  <MolWeight> (1,396)
392.34372

>  <Cat> (1,396)
S6214

>  <Name> (1,396)
H-1152 dihydrochloride

>  <Synonyms> (1,396)
H-1152 2HCl

>  <Target> (1,396)
Aurora Kinase

>  <Form> (1,396)
Dihydrochloride

>  <CAS> (1,396)
871543-07-6

>  <URL> (1,396)
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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M  END
>  <Mol_ID> (1,397)
1400

>  <Formula> (1,397)
C20H21N5

>  <MolWeight> (1,397)
331.41424

>  <Cat> (1,397)
S6383

>  <Name> (1,397)
1-NM-PP1

>  <Synonyms> (1,397)
PP1 Analog II, 1NM-PP1

>  <Target> (1,397)
Src

>  <Form> (1,397)
Free Base

>  <CAS> (1,397)
221244-14-0

>  <URL> (1,397)
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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M  END
>  <Mol_ID> (1,398)
1401

>  <Formula> (1,398)
C14H21N3O

>  <MolWeight> (1,398)
247.33604

>  <Cat> (1,398)
S6390

>  <Name> (1,398)
Y-27632

>  <Synonyms> (1,398)
N/A

>  <Target> (1,398)
ROCK

>  <Form> (1,398)
Free Base

>  <CAS> (1,398)
146986-50-7

>  <URL> (1,398)
http://www.selleckchem.com/products/y-27632.html

$$$$

csChFnd80/09132414022D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,399)
1402

>  <Formula> (1,399)
C32H32F3N5O2S

>  <MolWeight> (1,399)
607.6889896

>  <Cat> (1,399)
S6515

>  <Name> (1,399)
ALW II-41-27

>  <Synonyms> (1,399)
N/A

>  <Target> (1,399)
Ephrin receptor

>  <Form> (1,399)
Free Base

>  <CAS> (1,399)
1186206-79-0

>  <URL> (1,399)
http://www.selleckchem.com/products/alw-ii-41-27.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,400)
1403

>  <Formula> (1,400)
C20H22N2O

>  <MolWeight> (1,400)
306.40148

>  <Cat> (1,400)
S6875

>  <Name> (1,400)
CASIN

>  <Synonyms> (1,400)
Pirl1-related Compound 2

>  <Target> (1,400)
Rho

>  <Form> (1,400)
Free Base

>  <CAS> (1,400)
425399-05-9

>  <URL> (1,400)
http://www.selleckchem.com/products/casin.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,401)
1404

>  <Formula> (1,401)
C26H39N7O3

>  <MolWeight> (1,401)
497.63296

>  <Cat> (1,401)
S6884

>  <Name> (1,401)
LY3405105

>  <Synonyms> (1,401)
N/A

>  <Target> (1,401)
CDK

>  <Form> (1,401)
Free Base

>  <CAS> (1,401)
2326428-25-3

>  <URL> (1,401)
http://www.selleckchem.com/products/ly3405105.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,402)
1405

>  <Formula> (1,402)
C21H16N4O

>  <MolWeight> (1,402)
340.37794

>  <Cat> (1,402)
S6930

>  <Name> (1,402)
MK2 Inhibitor III

>  <Synonyms> (1,402)
MK2-IN-3

>  <Target> (1,402)
MAPKAPK2

>  <Form> (1,402)
Free Base

>  <CAS> (1,402)
724711-21-1

>  <URL> (1,402)
http://www.selleckchem.com/products/mk2-inhibitor-iii.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,403)
1406

>  <Formula> (1,403)
C20H11Cl2NO4

>  <MolWeight> (1,403)
400.21164

>  <Cat> (1,403)
S6953

>  <Name> (1,403)
GW406108X

>  <Synonyms> (1,403)
GW108X

>  <Target> (1,403)
Kinesin

>  <Form> (1,403)
Free Base

>  <CAS> (1,403)
1644443-92-4

>  <URL> (1,403)
http://www.selleckchem.com/products/gw406108x.html

$$$$

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M  END
>  <Mol_ID> (1,404)
1407

>  <Formula> (1,404)
C41H41N9O8

>  <MolWeight> (1,404)
787.81974

>  <Cat> (1,404)
S6966

>  <Name> (1,404)
MT-802

>  <Synonyms> (1,404)
N/A

>  <Target> (1,404)
BTK

>  <Form> (1,404)
Free Base

>  <CAS> (1,404)
2231744-29-7

>  <URL> (1,404)
http://www.selleckchem.com/products/mt-802.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,405)
1408

>  <Formula> (1,405)
C26H26ClN3O4

>  <MolWeight> (1,405)
479.95534

>  <Cat> (1,405)
S7647

>  <Name> (1,405)
Lucitanib (E3810) hydrochloride

>  <Synonyms> (1,405)
AL3810

>  <Target> (1,405)
VEGFR

>  <Form> (1,405)
Hydrochloride

>  <CAS> (1,405)
1058137-23-7

>  <URL> (1,405)
http://www.selleckchem.com/products/lucitanib.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,406)
1409

>  <Formula> (1,406)
C26H25F2N7O6S2

>  <MolWeight> (1,406)
633.6468064

>  <Cat> (1,406)
S7837

>  <Name> (1,406)
Centrinone (LCR-263)

>  <Target> (1,406)
PLK

>  <Form> (1,406)
Free Base

>  <CAS> (1,406)
1798871-30-3

>  <URL> (1,406)
http://www.selleckchem.com/products/centrinone.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,410)
1413

>  <Formula> (1,410)
C39H40N10O7

>  <MolWeight> (1,410)
760.7977

>  <Cat> (1,410)
S9880

>  <Name> (1,410)
MS140

>  <Synonyms> (1,410)
N/A

>  <Target> (1,410)
CDK

>  <Form> (1,410)
Free Base

>  <CAS> (1,410)
2229974-83-6

>  <URL> (1,410)
http://www.selleckchem.com/products/ms140.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,411)
1414

>  <Formula> (1,411)
C19H23N5O

>  <MolWeight> (1,411)
337.41882

>  <Cat> (1,411)
S0008

>  <Name> (1,411)
IRAK4-IN-1

>  <Synonyms> (1,411)
Compound 23

>  <Target> (1,411)
IRAK

>  <Form> (1,411)
Free Base

>  <CAS> (1,411)
1820787-94-7

>  <URL> (1,411)
http://www.selleckchem.com/products/irak4-in-1.html

$$$$

csChFnd80/09132414022D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,412)
1415

>  <Formula> (1,412)
C20H12F3N3

>  <MolWeight> (1,412)
351.3245896

>  <Cat> (1,412)
S0186

>  <Name> (1,412)
TA-01

>  <Synonyms> (1,412)
N/A

>  <Target> (1,412)
Casein Kinase

>  <Form> (1,412)
Free Base

>  <CAS> (1,412)
1784751-18-3

>  <URL> (1,412)
http://www.selleckchem.com/products/ta-01.html

$$$$

csChFnd80/09132414022D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,413)
1416

>  <Formula> (1,413)
C25H34Cl2N6O

>  <MolWeight> (1,413)
505.48306

>  <Cat> (1,413)
S0430

>  <Name> (1,413)
MELK-8a Dihydrochloride

>  <Synonyms> (1,413)
N/A

>  <Target> (1,413)
MELK

>  <Form> (1,413)
Dihydrochloride

>  <CAS> (1,413)
1922153-17-0 (free base)

>  <URL> (1,413)
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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324759-76-4

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M  END
>  <Mol_ID> (1,417)
1420

>  <Formula> (1,417)
C25H29N7O2

>  <MolWeight> (1,417)
459.54346

>  <Cat> (1,417)
S0726

>  <Name> (1,417)
XMD8-85 (ERK5-IN-1)

>  <Synonyms> (1,417)
N/A

>  <Target> (1,417)
ERK

>  <Form> (1,417)
Free Base

>  <CAS> (1,417)
1234479-76-5

>  <URL> (1,417)
http://www.selleckchem.com/products/xmd-8-85.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,418)
1421

>  <Formula> (1,418)
C19H15F3O5

>  <MolWeight> (1,418)
380.3146096

>  <Cat> (1,418)
S3462

>  <Name> (1,418)
PS210

>  <Synonyms> (1,418)
N/A

>  <Target> (1,418)
PDK

>  <Form> (1,418)
Free Base

>  <CAS> (1,418)
1221962-86-2

>  <URL> (1,418)
http://www.selleckchem.com/products/ps210.html

$$$$

csChFnd80/09132414022D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,419)
1422

>  <Formula> (1,419)
C21H22N4O4

>  <MolWeight> (1,419)
394.42378

>  <Cat> (1,419)
S5989

>  <Name> (1,419)
SKI-178

>  <Synonyms> (1,419)
N/A

>  <Target> (1,419)
SPHK

>  <Form> (1,419)
Free Base

>  <CAS> (1,419)
1259484-97-3

>  <URL> (1,419)
http://www.selleckchem.com/products/ski-178.html

$$$$

csChFnd80/09132414022D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,420)
1423

>  <Formula> (1,420)
C25H24N2O2

>  <MolWeight> (1,420)
384.47026

>  <Cat> (1,420)
S6177

>  <Name> (1,420)
CP 43

>  <Synonyms> (1,420)
Compound 43, TAO Kinase inhibitor 1, TAOK inhibitor 43,

>  <Target> (1,420)
Others

>  <Form> (1,420)
Free Base

>  <CAS> (1,420)
850467-66-2

>  <URL> (1,420)
http://www.selleckchem.com/products/cp-43.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,421)
1424

>  <Formula> (1,421)
C26H36N6O2

>  <MolWeight> (1,421)
464.60304

>  <Cat> (1,421)
S6386

>  <Name> (1,421)
MRT67307

>  <Synonyms> (1,421)
IKK¦Å/TBK1 Inhibitor II

>  <Target> (1,421)
TBK1

>  <Form> (1,421)
Free Base

>  <CAS> (1,421)
1190378-57-4

>  <URL> (1,421)
http://www.selleckchem.com/products/mrt67307.html

$$$$

csChFnd80/09132414022D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.9234    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.1878    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1898    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1282    4.9001    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5531    4.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5533    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4002    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3407    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4002    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7655    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1898    2.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5533    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9784    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6085    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1283    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6085    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3407    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1283    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3407    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9733    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  2 22  1  0  0  0  0
  3 11  2  0  0  0  0
  4 21  1  0  0  0  0
  5 21  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  2  0  0  0  0
  8 21  1  0  0  0  0
  9 16  2  0  0  0  0
 10 13  2  0  0  0  0
 11 13  1  0  0  0  0
 12 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
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,422)
1425

>  <Formula> (1,422)
C17H13NaO4

>  <MolWeight> (1,422)
304.27249

>  <Cat> (1,422)
S6396

>  <Name> (1,422)
HOIPIN-1

>  <Synonyms> (1,422)
JTP-0819958, HOIP inhibitor-1

>  <Target> (1,422)
Others

>  <Form> (1,422)
Free Base

>  <URL> (1,422)
http://www.selleckchem.com/products/hoipin-1.html

$$$$

csChFnd80/09132414022D

 37 40  0  0  0  0  0  0  0  0999 V2000
    3.6247    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.9927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    4.8927    0.0000 N   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
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   12.1033    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7280    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1444    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1444    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
  2 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,423)
1426

>  <Formula> (1,423)
C27H23FN4O4S

>  <MolWeight> (1,423)
518.5593232

>  <Cat> (1,423)
S6764

>  <Name> (1,423)
Pamufetinib (TAS-115)

>  <Synonyms> (1,423)
N/A

>  <Target> (1,423)
VEGFR

>  <Form> (1,423)
Free Base

>  <CAS> (1,423)
1190836-34-0

>  <URL> (1,423)
http://www.selleckchem.com/products/tas-115.html

$$$$

csChFnd80/09132414022D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.2123   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  2  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    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    7.9673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061   10.2326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0387   11.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019   12.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081   11.8552    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 N   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
    2.4249    4.2000    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
  2  6  1  6  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 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
  8 16  1  0  0  0  0
 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 10 17  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
 26 28  1  0  0  0  0
 24 29  1  0  0  0  0
 21 23  1  0  0  0  0
 20 21  1  0  0  0  0
 15 20  1  0  0  0  0
  7 13  1  0  0  0  0
  3  7  1  1  0  0  0
M  END
>  <Mol_ID> (1,424)
1427

>  <Formula> (1,424)
C21H31N7O

>  <MolWeight> (1,424)
397.51714

>  <Cat> (1,424)
S7371

>  <Name> (1,424)
Fadraciclib (CYC065)

>  <Synonyms> (1,424)
N/A

>  <Target> (1,424)
CDK

>  <Form> (1,424)
Free Base

>  <CAS> (1,424)
1070790-89-4

>  <URL> (1,424)
http://www.selleckchem.com/products/fadraciclib.html

$$$$

csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.3504    8.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1372    7.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1372    6.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    5.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5601    6.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3504    9.8787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    4.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1422    3.5861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    0.0743    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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  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 15  1  0  0  0  0
 21 22  1  0  0  0  0
 12 21  1  0  0  0  0
  9 13  1  0  0  0  0
  8  9  2  0  0  0  0
  4  8  1  0  0  0  0
 23 24  1  0  0  0  0
  2 23  1  0  0  0  0
  5 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,425)
1428

>  <Formula> (1,425)
C17H15BrN4O2S

>  <MolWeight> (1,425)
419.2956

>  <Cat> (1,425)
S9850

>  <Name> (1,425)
(E/Z)-GO289

>  <Synonyms> (1,425)
N/A

>  <Target> (1,425)
Casein Kinase

>  <Form> (1,425)
Free Base

>  <CAS> (1,425)
694522-87-7

>  <URL> (1,425)
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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   11.0071    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0692    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2816    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (1,426)
1429

>  <Formula> (1,426)
C27H20ClN3O2

>  <MolWeight> (1,426)
453.9196

>  <Cat> (1,426)
E0047

>  <Name> (1,426)
Vodobatinib (K0706)

>  <Synonyms> (1,426)
SCO-088, SUN K706, SUN-K0706

>  <Target> (1,426)
Bcr-Abl

>  <Form> (1,426)
Free Base

>  <CAS> (1,426)
1388803-90-4

>  <URL> (1,426)
http://www.selleckchem.com/products/vodobatinib.html

$$$$

csChFnd80/09132414022D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,427)
1430

>  <Formula> (1,427)
C27H27N5O3

>  <MolWeight> (1,427)
469.53498

>  <Cat> (1,427)
E0050

>  <Name> (1,427)
Seralutinib (GB002)

>  <Synonyms> (1,427)
PK10571

>  <Target> (1,427)
PDGFR

>  <Form> (1,427)
Free Base

>  <CAS> (1,427)
1619931-27-9

>  <URL> (1,427)
http://www.selleckchem.com/products/seralutinib-pk10571.html

$$$$

csChFnd80/09132414022D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  6  9  1  0  0  0  0
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  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
 14 18  1  0  0  0  0
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 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
  4 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,428)
1431

>  <Formula> (1,428)
C16H11N3O2

>  <MolWeight> (1,428)
277.27744

>  <Cat> (1,428)
E0072

>  <Name> (1,428)
Indirubin-3¡ä-oxime

>  <Synonyms> (1,428)
IDR3O, I3O

>  <Target> (1,428)
GSK-3

>  <Form> (1,428)
Free Base

>  <CAS> (1,428)
667463-82-3

>  <URL> (1,428)
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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M  END
>  <Mol_ID> (1,429)
1432

>  <Formula> (1,429)
C21H18NO4+

>  <MolWeight> (1,429)
348.37192

>  <Cat> (1,429)
E0124

>  <Name> (1,429)
Chelerythrine

>  <Synonyms> (1,429)
Toddaline, Broussonpapyrine

>  <Target> (1,429)
PKC

>  <Form> (1,429)
Free Base

>  <CAS> (1,429)
34316-15-9

>  <URL> (1,429)
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> (1,430)
1433

>  <Formula> (1,430)
C19H21ClN6O

>  <MolWeight> (1,430)
384.86264

>  <Cat> (1,430)
S8571

>  <Name> (1,430)
BTK IN-1

>  <Synonyms> (1,430)
SNS062 analog

>  <Target> (1,430)
Others

>  <Form> (1,430)
free base

>  <CAS> (1,430)
1270014-40-8

>  <URL> (1,430)
http://www.selleckchem.com/products/btk-in-1.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,431)
1434

>  <Formula> (1,431)
C27H25FN6O

>  <MolWeight> (1,431)
468.5254032

>  <Cat> (1,431)
S9833

>  <Name> (1,431)
BAY-3827

>  <Form> (1,431)
free base

>  <CAS> (1,431)
2377576-35-5

>  <URL> (1,431)
http://www.selleckchem.com/products/bay-3827.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,432)
1435

>  <Formula> (1,432)
C29H33ClN6

>  <MolWeight> (1,432)
501.06552

>  <Cat> (1,432)
S9892

>  <Name> (1,432)
HM43239

>  <Synonyms> (1,432)
N/A

>  <Target> (1,432)
FLT3

>  <Form> (1,432)
free base

>  <CAS> (1,432)
2569527-64-4

>  <URL> (1,432)
http://www.selleckchem.com/products/hm43239.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,433)
1436

>  <Formula> (1,433)
C29H29F3N8O

>  <MolWeight> (1,433)
562.5887696

>  <Cat> (1,433)
S9973

>  <Name> (1,433)
Flumatinib (HH-GV-678)

>  <Synonyms> (1,433)
HH-GV678

>  <Target> (1,433)
Bcr-Abl

>  <Form> (1,433)
free base

>  <CAS> (1,433)
895519-90-1

>  <URL> (1,433)
http://www.selleckchem.com/products/flumatinib-hh-gv-678.html

$$$$

csChFnd80/09132414022D

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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,434)
1437

>  <Formula> (1,434)
C15H12N2O2

>  <MolWeight> (1,434)
252.26798

>  <Cat> (1,434)
E0334

>  <Name> (1,434)
BAMB-4

>  <Synonyms> (1,434)
N/A

>  <Form> (1,434)
free base

>  <CAS> (1,434)
891025-25-5

>  <URL> (1,434)
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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M  END
>  <Mol_ID> (1,435)
1438

>  <Formula> (1,435)
C16H15BrN2O3

>  <MolWeight> (1,435)
363.2059

>  <Cat> (1,435)
S0179

>  <Name> (1,435)
mTOR inhibitor-1

>  <Target> (1,435)
Others

>  <Form> (1,435)
free base

>  <CAS> (1,435)
468747-17-3

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

$$$$

csChFnd80/09132414022D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,436)
1439

>  <Formula> (1,436)
C13H9NOS

>  <MolWeight> (1,436)
227.28166

>  <Cat> (1,436)
S0291

>  <Name> (1,436)
SU5208

>  <Synonyms> (1,436)
3-[(Thien-2-yl)methylene]-2-indolinone

>  <Target> (1,436)
Others

>  <Form> (1,436)
free base

>  <CAS> (1,436)
62540-08-3

>  <URL> (1,436)
http://www.selleckchem.com/products/su5208.html

$$$$

csChFnd80/09132414022D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,437)
1440

>  <Formula> (1,437)
C10H7NO4

>  <MolWeight> (1,437)
205.16688

>  <Cat> (1,437)
S0324

>  <Name> (1,437)
Tyrphostin AG30 (AG30)

>  <Synonyms> (1,437)
N/A

>  <Target> (1,437)
Others

>  <Form> (1,437)
free base

>  <CAS> (1,437)
122520-79-0

>  <URL> (1,437)
http://www.selleckchem.com/products/ag30.html

$$$$

csChFnd80/09132414022D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,438)
1441

>  <Formula> (1,438)
C19H20FN5O

>  <MolWeight> (1,438)
353.3934032

>  <Cat> (1,438)
S0387

>  <Name> (1,438)
SB 242235

>  <Synonyms> (1,438)
N/A

>  <Target> (1,438)
p38 MAPK

>  <Form> (1,438)
free base

>  <CAS> (1,438)
193746-75-7

>  <URL> (1,438)
http://www.selleckchem.com/products/sb-242235.html

$$$$

csChFnd80/09132414022D

 12 13  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,439)
1442

>  <Formula> (1,439)
C9H8N2O

>  <MolWeight> (1,439)
160.17262

>  <Cat> (1,439)
S0388

>  <Name> (1,439)
SD169

>  <Synonyms> (1,439)
5-Carbamoylindole

>  <Target> (1,439)
Others

>  <Form> (1,439)
free base

>  <CAS> (1,439)
1670-87-7

>  <URL> (1,439)
http://www.selleckchem.com/products/sd169.html

$$$$

csChFnd80/09132414022D

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  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  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
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 14 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
 17 19  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
M  END
>  <Mol_ID> (1,440)
1443

>  <Formula> (1,440)
C16H10FN3O2

>  <MolWeight> (1,440)
295.2679032

>  <Cat> (1,440)
S0550

>  <Name> (1,440)
5'-Fluoroindirubinoxime

>  <Synonyms> (1,440)
5'-FIO, compound 13

>  <Target> (1,440)
FLT3

>  <Form> (1,440)
free base

>  <CAS> (1,440)
861214-33-7

>  <URL> (1,440)
http://www.selleckchem.com/products/5-fluoroindirubinoxime.html

$$$$

csChFnd80/09132414022D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    2.4250    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4250    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 O   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
    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6062    5.8674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6062    8.1327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4082    9.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    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
  1  5  1  0  0  0  0
  3  6  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 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
  8 16  1  0  0  0  0
 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 10 17  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
 21 26  2  0  0  0  0
 25 27  1  0  0  0  0
 23 28  1  0  0  0  0
 20 21  1  0  0  0  0
 15 20  1  0  0  0  0
  7 13  1  0  0  0  0
  2  7  1  6  0  0  0
M  END
>  <Mol_ID> (1,441)
1444

>  <Formula> (1,441)
C19H26ClN7O

>  <MolWeight> (1,441)
403.90904

>  <Cat> (1,441)
S0734

>  <Name> (1,441)
Aminopurvalanol A

>  <Synonyms> (1,441)
N/A

>  <Target> (1,441)
CDK

>  <Form> (1,441)
free base

>  <CAS> (1,441)
220792-57-4

>  <URL> (1,441)
http://www.selleckchem.com/products/aminopurvalanol-a.html

$$$$

csChFnd80/09132414022D

 26 28  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
    6.0621    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    3.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8241    5.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5241    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    5.5998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3997    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    8.3997    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    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  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
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  5 10  1  0  0  0  0
  4 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 13 14  1  0  0  0  0
  9 12  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
 21 24  1  0  0  0  0
 19 25  1  0  0  0  0
 17 18  1  0  0  0  0
  3 17  1  0  0  0  0
  6 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,442)
1445

>  <Formula> (1,442)
C17H13BrClF2IN2O2

>  <MolWeight> (1,442)
557.5555964

>  <Cat> (1,442)
S0739

>  <Name> (1,442)
PD184161

>  <Target> (1,442)
MEK

>  <Form> (1,442)
free base

>  <CAS> (1,442)
212631-67-9

>  <URL> (1,442)
http://www.selleckchem.com/products/pd184161.html

$$$$

csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.6997    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    4.9003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    2.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  9 18  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,443)
1446

>  <Formula> (1,443)
C16H14N2O2

>  <MolWeight> (1,443)
266.29456

>  <Cat> (1,443)
S0763

>  <Name> (1,443)
Tyrphostin AG1433

>  <Synonyms> (1,443)
SU1433, AG1433

>  <Target> (1,443)
Others

>  <Form> (1,443)
free base

>  <CAS> (1,443)
168835-90-3

>  <URL> (1,443)
http://www.selleckchem.com/products/tyrphostin-ag1433.html

$$$$

csChFnd80/09132414022D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    7.2745    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    4.8496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2745    4.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  4 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 16 18  1  0  0  0  0
 20 21  1  0  0  0  0
 15 20  1  0  0  0  0
 22 23  1  0  0  0  0
 14 22  1  0  0  0  0
 11 12  1  0  0  0  0
 24 25  1  0  0  0  0
  8 24  1  0  0  0  0
 26 27  1  0  0  0  0
  7 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,444)
1447

>  <Formula> (1,444)
C20H22N2O5

>  <MolWeight> (1,444)
370.39908

>  <Cat> (1,444)
S0848

>  <Name> (1,444)
GAK inhibitor 49

>  <Synonyms> (1,444)
N/A

>  <Target> (1,444)
Others

>  <Form> (1,444)
free base

>  <CAS> (1,444)
319492-82-5

>  <URL> (1,444)
http://www.selleckchem.com/products/gak-inhibitor-49.html

$$$$

csChFnd80/09132414022D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    2.4248   14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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Syk

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free base

>  <CAS> (1,445)
1425381-60-7

>  <URL> (1,445)
http://www.selleckchem.com/products/gusacitinib.html

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csChFnd80/09132414022D

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1449

>  <Formula> (1,446)
C17H20N4O2

>  <MolWeight> (1,446)
312.3663

>  <Cat> (1,446)
S0888

>  <Name> (1,446)
Rsva 405

>  <Synonyms> (1,446)
N/A

>  <Target> (1,446)
Others

>  <Form> (1,446)
free base

>  <CAS> (1,446)
140405-36-3

>  <URL> (1,446)
http://www.selleckchem.com/products/rsva-405.html

$$$$

csChFnd80/09132414022D

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1450

>  <Formula> (1,447)
C27H34F3N7O3

>  <MolWeight> (1,447)
561.5991696

>  <Cat> (1,447)
S1239

>  <Name> (1,447)
TAK-960

>  <Target> (1,447)
PLK

>  <Form> (1,447)
free base

>  <CAS> (1,447)
1137868-52-0

>  <URL> (1,447)
http://www.selleckchem.com/products/tak-960.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,448)
1451

>  <Formula> (1,448)
C22H18F3N3O4S

>  <MolWeight> (1,448)
477.4562296

>  <Cat> (1,448)
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>  <Name> (1,448)
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>  <Target> (1,448)
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>  <Form> (1,448)
free base

>  <CAS> (1,448)
660868-91-7

>  <URL> (1,448)
http://www.selleckchem.com/products/gw-843682x.html

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csChFnd80/09132414022D

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>  <Formula> (1,449)
C17H20ClN5O3

>  <MolWeight> (1,449)
377.8254

>  <Cat> (1,449)
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N/A

>  <Target> (1,449)
LRRK2

>  <Form> (1,449)
free base

>  <CAS> (1,449)
1351758-81-0

>  <URL> (1,449)
http://www.selleckchem.com/products/hg-10-102-01.html

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csChFnd80/09132414022D

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1453

>  <Formula> (1,450)
C22H25N5O4

>  <MolWeight> (1,450)
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>  <Cat> (1,450)
S3527

>  <Name> (1,450)
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>  <Synonyms> (1,450)
N/A

>  <Target> (1,450)
Carbohydrate Metabol

>  <Form> (1,450)
free base

>  <CAS> (1,450)
1442684-77-6

>  <URL> (1,450)
http://www.selleckchem.com/products/am2394.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,451)
1454

>  <Formula> (1,451)
C18H19NO3

>  <MolWeight> (1,451)
297.34836

>  <Cat> (1,451)
S5893

>  <Name> (1,451)
Poloxin

>  <Synonyms> (1,451)
N/A

>  <Target> (1,451)
PLK

>  <Form> (1,451)
free base

>  <CAS> (1,451)
321688-88-4

>  <URL> (1,451)
http://www.selleckchem.com/products/poloxin.html

$$$$

csChFnd80/09132414022D

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1455

>  <Formula> (1,452)
C23H20N2O3

>  <MolWeight> (1,452)
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>  <Cat> (1,452)
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>  <Name> (1,452)
GW284543 (UNC10225170)

>  <Target> (1,452)
MEK

>  <Form> (1,452)
free base

>  <CAS> (1,452)
790186-68-4

>  <URL> (1,452)
http://www.selleckchem.com/products/gw284543.html

$$$$

csChFnd80/09132414022D

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SB1317 (TG02)

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CDK

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937270-47-8

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 22 23  1  0  0  0  0
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 31 33  1  0  0  0  0
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 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,457)
1460

>  <Formula> (1,457)
C25H20F3N5O2

>  <MolWeight> (1,457)
479.4538096

>  <Cat> (1,457)
E0340

>  <Name> (1,457)
CSF1R-IN-1

>  <Synonyms> (1,457)
N/A

>  <Target> (1,457)
Others

>  <Form> (1,457)
free base

>  <CAS> (1,457)
2095849-04-8

>  <URL> (1,457)
http://www.selleckchem.com/products/csf1r-in-1.html

$$$$

csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
 19 20  2  0  0  0  0
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 20 22  1  0  0  0  0
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 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
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 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> (1,458)
1461

>  <Formula> (1,458)
C23H20N4O3

>  <MolWeight> (1,458)
400.4299

>  <Cat> (1,458)
E0342

>  <Name> (1,458)
Aurora kinase Inhibitor II

>  <Target> (1,458)
Others

>  <Form> (1,458)
free base

>  <CAS> (1,458)
331770-21-9

>  <URL> (1,458)
http://www.selleckchem.com/products/aurora-kinase-inhibitor-ii.html

$$$$

csChFnd80/09132414022D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.0621    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 27 29  2  0  0  0  0
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M  END
>  <Mol_ID> (1,459)
1462

>  <Formula> (1,459)
C23H21N3O3

>  <MolWeight> (1,459)
387.43114

>  <Cat> (1,459)
E0344

>  <Name> (1,459)
ErbB2 inhibitor

>  <Synonyms> (1,459)
N/A

>  <Target> (1,459)
Others

>  <Form> (1,459)
free base

>  <CAS> (1,459)
179248-61-4

>  <URL> (1,459)
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> (1,460)
1463

>  <Formula> (1,460)
C14H10N2O

>  <MolWeight> (1,460)
222.242

>  <Cat> (1,460)
E0381

>  <Name> (1,460)
(E/Z)-GSK-3¦Â inhibitor 1

>  <Synonyms> (1,460)
N/A

>  <Target> (1,460)
GSK-3

>  <Form> (1,460)
free base

>  <CAS> (1,460)
3367-88-2

>  <URL> (1,460)
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> (1,461)
1464

>  <Formula> (1,461)
C13H7ClF2INO2

>  <MolWeight> (1,461)
409.5544564

>  <Cat> (1,461)
E0404

>  <Name> (1,461)
Zapnometinib (PD0184264)

>  <Synonyms> (1,461)
ATR-002

>  <Target> (1,461)
MEK

>  <Form> (1,461)
free base

>  <CAS> (1,461)
303175-44-2

>  <URL> (1,461)
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
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7BIO

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7-bromoindirubin-3-oxime

>  <Target> (1,462)
Others

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free base

>  <CAS> (1,462)
916440-85-2

>  <URL> (1,462)
http://www.selleckchem.com/products/7bio.html

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>  <Formula> (1,463)
C27H25N3O4S2

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>  <Cat> (1,463)
E0482

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MP-A08

>  <Synonyms> (1,463)
N/A

>  <Target> (1,463)
Others

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free base

>  <CAS> (1,463)
219832-49-2

>  <URL> (1,463)
http://www.selleckchem.com/products/mp-a08.html

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csChFnd80/09132414022D

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>  <Mol_ID> (1,464)
1467

>  <Formula> (1,464)
C16H12O5

>  <MolWeight> (1,464)
284.26348

>  <Cat> (1,464)
E0526

>  <Name> (1,464)
sappanone A

>  <Target> (1,464)
p38 MAPK

>  <Form> (1,464)
free base

>  <CAS> (1,464)
102067-84-5

>  <URL> (1,464)
http://www.selleckchem.com/products/sappanone-a.html

$$$$

csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,465)
1468

>  <Formula> (1,465)
C14H10N4O3

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282.2542

>  <Cat> (1,465)
E0533

>  <Name> (1,465)
IRAK-4 protein kinase inhibitor 2

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free base

>  <CAS> (1,465)
301675-24-1

>  <URL> (1,465)
http://www.selleckchem.com/products/irak-4-protein-kinase-inhibitor-2.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,466)
1469

>  <Formula> (1,466)
C15H11BrN2O

>  <MolWeight> (1,466)
315.16464

>  <Cat> (1,466)
E0534

>  <Name> (1,466)
WAY-340935

>  <Synonyms> (1,466)
VEGFR2-IN-2

>  <Form> (1,466)
free base

>  <CAS> (1,466)
737818-56-3

>  <URL> (1,466)
http://www.selleckchem.com/products/way-340935.html

$$$$

csChFnd80/09132414022D

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C15H11ClN2OS

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WAY-303290

>  <Synonyms> (1,467)
GluR6 antagonist-1

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free base

>  <CAS> (1,467)
323176-64-3

>  <URL> (1,467)
http://www.selleckchem.com/products/way-303290.html

$$$$

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M  END
>  <Mol_ID> (1,468)
1471

>  <Formula> (1,468)
C23H18F3N5O3

>  <MolWeight> (1,468)
469.4159296

>  <Cat> (1,468)
E0614

>  <Name> (1,468)
AWL-II-38.3

>  <Target> (1,468)
Others

>  <Form> (1,468)
free base

>  <CAS> (1,468)
1135205-94-5

>  <URL> (1,468)
http://www.selleckchem.com/products/awl-ii-38-3.html

$$$$

csChFnd80/09132414022D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,469)
1472

>  <Formula> (1,469)
C13H16N2O2S

>  <MolWeight> (1,469)
264.34334

>  <Cat> (1,469)
E0626

>  <Name> (1,469)
AX 20017

>  <Target> (1,469)
Others

>  <Form> (1,469)
free base

>  <CAS> (1,469)
329221-38-7

>  <URL> (1,469)
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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M  END
>  <Mol_ID> (1,470)
1473

>  <Formula> (1,470)
C24H32Cl3N7O

>  <MolWeight> (1,470)
540.91618

>  <Cat> (1,470)
E0647

>  <Name> (1,470)
(R)-CR8 trihydrochloride

>  <Target> (1,470)
CDK

>  <Form> (1,470)
Trihydrochloride

>  <CAS> (1,470)
1786438-30-9

>  <URL> (1,470)
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> (1,471)
1474

>  <Formula> (1,471)
C10H10O4R

>  <MolWeight> (1,471)
194.184

>  <Cat> (1,471)
E0653

>  <Name> (1,471)
Trans-ferulic acid

>  <Target> (1,471)
AMPK

>  <Form> (1,471)
free base

>  <CAS> (1,471)
537-98-4

>  <URL> (1,471)
http://www.selleckchem.com/products/trans-ferulic-acid.html

$$$$

csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,472)
1475

>  <Formula> (1,472)
C16H11N3

>  <MolWeight> (1,472)
245.27864

>  <Cat> (1,472)
E0779

>  <Name> (1,472)
Paprotrain

>  <Form> (1,472)
free base

>  <CAS> (1,472)
57046-73-8

>  <URL> (1,472)
http://www.selleckchem.com/products/paprotrain.html

$$$$

csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
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31750-48-8

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6975-75-3

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1227098-15-8

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1198098-03-1

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 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,482)
1485

>  <Formula> (1,482)
C24H18ClFN4O2

>  <MolWeight> (1,482)
448.8767232

>  <Cat> (1,482)
E0822

>  <Name> (1,482)
AST-1306

>  <Synonyms> (1,482)
Allitinib

>  <Target> (1,482)
EGFR

>  <Form> (1,482)
free base

>  <CAS> (1,482)
897383-62-9

>  <URL> (1,482)
http://www.selleckchem.com/products/ast-1306.html

$$$$

csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   16.9739    6.9999    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    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
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 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,483)
1486

>  <Formula> (1,483)
C21H22ClFN4O3

>  <MolWeight> (1,483)
432.8757832

>  <Cat> (1,483)
E0833

>  <Name> (1,483)
O-Demethyl-Gefitinib

>  <Target> (1,483)
EGFR

>  <Form> (1,483)
free base

>  <CAS> (1,483)
847949-49-9

>  <URL> (1,483)
http://www.selleckchem.com/products/o-demethyl-gefitinib.html

$$$$

csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 14 20  1  0  0  0  0
 11 12  1  0  0  0  0
  3 11  2  0  0  0  0
  6 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,484)
1487

>  <Formula> (1,484)
C15H8Br2ClNO2

>  <MolWeight> (1,484)
429.49052

>  <Cat> (1,484)
E0934

>  <Name> (1,484)
Raf inhibitor 2

>  <Form> (1,484)
free base

>  <CAS> (1,484)
220904-99-4

>  <URL> (1,484)
http://www.selleckchem.com/products/raf-inhibitor-2.html

$$$$

csChFnd80/09132414022D

837848  0  0  0  0  0  0  0  0999 V2000
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2411853-34-2

>  <URL> (1,494)
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E2133

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free base

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1415662-57-5

>  <URL> (1,495)
http://www.selleckchem.com/products/way-272077.html

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csChFnd80/09132414022D

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C22H23ClN6O

>  <MolWeight> (1,496)
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E2201

>  <Name> (1,496)
N-piperidine Ibrutinib hydrochloride

>  <Form> (1,496)
hydrochloride

>  <CAS> (1,496)
2231747-18-3

>  <URL> (1,496)
http://www.selleckchem.com/products/n-piperidine-ibrutinib-hydrochloride.html

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>  <Form> (1,497)
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>  <CAS> (1,497)
956025-47-1

>  <URL> (1,497)
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1022150-12-4

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15917-65-4

>  <URL> (1,500)
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140651-18-9

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E2378

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GNE-3511

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free base

>  <CAS> (1,504)
1496581-76-0

>  <URL> (1,504)
http://www.selleckchem.com/products/gne-3511.html

$$$$

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1508

>  <Formula> (1,505)
C31H27IN4S

>  <MolWeight> (1,505)
614.54235

>  <Cat> (1,505)
E2384

>  <Name> (1,505)
(E)-Akt inhibitor-IV

>  <Form> (1,505)
free base

>  <CAS> (1,505)
959841-49-7

>  <URL> (1,505)
http://www.selleckchem.com/products/-e--akt-inhibitor-iv.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,506)
1509

>  <Formula> (1,506)
C14H17ClN2O2

>  <MolWeight> (1,506)
280.74998

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E2385

>  <Name> (1,506)
SAR407899 hydrochloride

>  <Target> (1,506)
Rho

>  <Form> (1,506)
hydrochloride

>  <CAS> (1,506)
923262-96-8

>  <URL> (1,506)
http://www.selleckchem.com/products/sar407899-hydrochloride.html

$$$$

csChFnd80/09132414022D

 33 36  0  0  0  0  0  0  0  0999 V2000
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1510

>  <Formula> (1,507)
C24H28N4O4S

>  <MolWeight> (1,507)
468.56852

>  <Cat> (1,507)
E2388

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PKR-IN-2

>  <Form> (1,507)
free base

>  <CAS> (1,507)
1628428-01-2

>  <URL> (1,507)
http://www.selleckchem.com/products/pkr-in-2.html

$$$$

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2412056-27-8

>  <URL> (1,508)
http://www.selleckchem.com/products/thalidomide-5-nh2-ch2-cooh.html

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PDGFR

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free base

>  <CAS> (1,509)
627518-40-5

>  <URL> (1,509)
http://www.selleckchem.com/products/jnj-10198409.html

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csChFnd80/09132414022D

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1513

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C17H12FN3O

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293.2950832

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E2396

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STK16-IN-1

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free base

>  <CAS> (1,510)
1223001-53-3

>  <URL> (1,510)
http://www.selleckchem.com/products/stk16-in-1.html

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csChFnd80/09132414022D

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>  <Name> (1,511)
T-1101 tosylate

>  <Synonyms> (1,511)
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Microtubule Associat

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tosylate

>  <CAS> (1,511)
2250404-95-4

>  <URL> (1,511)
http://www.selleckchem.com/products/t-1101-tosylate.html

$$$$

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M  END
>  <Mol_ID> (1,512)
1515

>  <Formula> (1,512)
C27H23F2N7O3

>  <MolWeight> (1,512)
531.5134264

>  <Cat> (1,512)
E2505

>  <Name> (1,512)
TBAP-001

>  <Synonyms> (1,512)
Synthesis 13

>  <Target> (1,512)
Others

>  <Form> (1,512)
free base

>  <CAS> (1,512)
1777832-90-2

>  <URL> (1,512)
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> (1,513)
1516

>  <Formula> (1,513)
C12H14Cl2N2O2S

>  <MolWeight> (1,513)
321.22276

>  <Cat> (1,513)
E2506

>  <Name> (1,513)
A-3 hydrochloride

>  <Form> (1,513)
hydrochloride

>  <CAS> (1,513)
78957-85-4

>  <URL> (1,513)
http://www.selleckchem.com/products/a-3-hydrochloride.html

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csChFnd80/09132414022D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,514)
1517

>  <Formula> (1,514)
C13H13ClN2O2S

>  <MolWeight> (1,514)
296.77252

>  <Cat> (1,514)
E2509

>  <Name> (1,514)
WAY-297848

>  <Form> (1,514)
free base

>  <CAS> (1,514)
404360-27-6

>  <URL> (1,514)
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> (1,515)
1518

>  <Formula> (1,515)
C16H13FO4

>  <MolWeight> (1,515)
288.2704232

>  <Cat> (1,515)
E2510

>  <Name> (1,515)
WAY-301398

>  <Synonyms> (1,515)
6-methoxynaphthalene

>  <Form> (1,515)
free base

>  <CAS> (1,515)
312607-68-4

>  <URL> (1,515)
http://www.selleckchem.com/products/way-301398.html

$$$$

csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,516)
1519

>  <Formula> (1,516)
C18H12N2O3

>  <MolWeight> (1,516)
304.29948

>  <Cat> (1,516)
E2511

>  <Name> (1,516)
ZINC05007751

>  <Target> (1,516)
Others

>  <Form> (1,516)
free base

>  <CAS> (1,516)
591239-68-8

>  <URL> (1,516)
http://www.selleckchem.com/products/zinc05007751.html

$$$$

csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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1520

>  <Formula> (1,517)
C15H15N3O2S

>  <MolWeight> (1,517)
301.3635

>  <Cat> (1,517)
E2518

>  <Name> (1,517)
WAY-297342

>  <Form> (1,517)
free base

>  <CAS> (1,517)
298207-49-5

>  <URL> (1,517)
http://www.selleckchem.com/products/way-297342.html

$$$$

csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
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 22 23  1  0  0  0  0
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1521

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C17H15N3O2S

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325.3849

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WAY-624704

>  <Form> (1,518)
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>  <CAS> (1,518)
692869-38-8

>  <URL> (1,518)
http://www.selleckchem.com/products/way-624704.html

$$$$
>  <Mol_ID> (1,519)
1522

>  <Cat> (1,519)
E2548

>  <Name> (1,519)
N-(p-Coumaroyl) Serotonin

>  <Synonyms> (1,519)
p-coumaroylserotonin

>  <Target> (1,519)
Others

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free base

>  <CAS> (1,519)
68573-24-0

>  <URL> (1,519)
http://www.selleckchem.com/products/n--p-coumaroyl--serotonin.html

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csChFnd80/09132414022D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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M  END
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1523

>  <Formula> (1,520)
C16H12FN3S

>  <MolWeight> (1,520)
297.3499832

>  <Cat> (1,520)
E2630

>  <Name> (1,520)
SKF-86002

>  <Target> (1,520)
p38 MAPK

>  <Form> (1,520)
free base

>  <CAS> (1,520)
72873-74-6

>  <URL> (1,520)
http://www.selleckchem.com/products/skf-86002.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,521)
1524

>  <Formula> (1,521)
C20H16ClN5O2

>  <MolWeight> (1,521)
393.82634

>  <Cat> (1,521)
E2640

>  <Name> (1,521)
M2N12

>  <Target> (1,521)
CDK

>  <Form> (1,521)
free base

>  <CAS> (1,521)
2376577-06-7

>  <URL> (1,521)
http://www.selleckchem.com/products/m2n12.html

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csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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1525

>  <Formula> (1,522)
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>  <MolWeight> (1,522)
355.82142

>  <Cat> (1,522)
E2642

>  <Name> (1,522)
CGP60474

>  <Form> (1,522)
free base

>  <CAS> (1,522)
164658-13-3

>  <URL> (1,522)
http://www.selleckchem.com/products/cgp60474.html

$$$$

csChFnd80/09132414022D

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 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
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 22 27  1  0  0  0  0
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 12 13  1  0  0  0  0
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 29 30  1  0  0  0  0
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 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> (1,527)
1530

>  <Formula> (1,527)
C26H19ClN8

>  <MolWeight> (1,527)
478.93566

>  <Cat> (1,527)
E2651

>  <Name> (1,527)
Raf inhibitor 1

>  <Form> (1,527)
free base

>  <CAS> (1,527)
1093100-40-3

>  <URL> (1,527)
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
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    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
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  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> (1,528)
1531

>  <Formula> (1,528)
C9H7Br4N3

>  <MolWeight> (1,528)
476.78798

>  <Cat> (1,528)
E2659

>  <Name> (1,528)
DMAT

>  <Form> (1,528)
free base

>  <CAS> (1,528)
749234-11-5

>  <URL> (1,528)
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
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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
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  2  5  1  0  0  0  0
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  4  9  1  0  0  0  0
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  7 10  1  0  0  0  0
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 11 16  2  0  0  0  0
 12 16  1  0  0  0  0
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 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
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 15 22  1  0  0  0  0
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 24 27  2  0  0  0  0
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 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,529)
1532

>  <Formula> (1,529)
C23H14Na2O6

>  <MolWeight> (1,529)
432.3332

>  <Cat> (1,529)
E2660

>  <Name> (1,529)
Pamoic acid disodium

>  <Form> (1,529)
disodium salt

>  <CAS> (1,529)
6640-22-8

>  <URL> (1,529)
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
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    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
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  1  2  1  0  0  0  0
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  2  9  1  6  0  0  0
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 13 14  1  0  0  0  0
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 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> (1,530)
1533

>  <Formula> (1,530)
C12H24N2O9

>  <MolWeight> (1,530)
340.32696

>  <Cat> (1,530)
E2661

>  <Name> (1,530)
Chitosan oligosaccharide

>  <Synonyms> (1,530)
COS

>  <Form> (1,530)
free base

>  <CAS> (1,530)
148411-57-8

>  <URL> (1,530)
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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    7.8916    3.6765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8 13  1  0  0  0  0
  3 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,531)
1534

>  <Formula> (1,531)
C9H4Cl2O2S

>  <MolWeight> (1,531)
247.09786

>  <Cat> (1,531)
E2663

>  <Name> (1,531)
BT2

>  <Form> (1,531)
free base

>  <CAS> (1,531)
34576-94-8

>  <URL> (1,531)
http://www.selleckchem.com/products/bt2.html

$$$$

csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,532)
1535

>  <Formula> (1,532)
C17H15NO4

>  <MolWeight> (1,532)
297.3053

>  <Cat> (1,532)
E2682

>  <Name> (1,532)
RPI-1

>  <Target> (1,532)
JNK

>  <Form> (1,532)
free base

>  <CAS> (1,532)
269730-03-2

>  <URL> (1,532)
http://www.selleckchem.com/products/rpi-1.html

$$$$

csChFnd80/09132414022D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1642839-27-7

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475-25-2

>  <URL> (1,535)
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517-88-4

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M  END
>  <Mol_ID> (1,538)
1541

>  <Formula> (1,538)
C38H74N18O10

>  <MolWeight> (1,538)
943.10876

>  <Cat> (1,538)
P1153

>  <Name> (1,538)
PKG inhibitor peptide

>  <Form> (1,538)
free base

>  <CAS> (1,538)
82801-73-8

>  <URL> (1,538)
http://www.selleckchem.com/products/pkg-inhibitor-peptide.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,539)
1542

>  <Formula> (1,539)
C53H100N20O12

>  <MolWeight> (1,539)
1209.4879

>  <Cat> (1,539)
P1154

>  <Name> (1,539)
PKI 14-22 amide,myristoylated

>  <Form> (1,539)
free base

>  <CAS> (1,539)
201422-03-9

>  <URL> (1,539)
http://www.selleckchem.com/products/pki-14-22-amide-myristoylated.html

$$$$
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1543

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>  <Name> (1,540)
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>  <Form> (1,540)
free base

>  <URL> (1,540)
http://www.selleckchem.com/products/autocamtide-2-amide.html

$$$$

csChFnd80/09132414022D

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1544

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C37H65N9O13

>  <MolWeight> (1,541)
843.9645

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P1160

>  <Name> (1,541)
Epsilon-V1-2

>  <Synonyms> (1,541)
¦Å-V1-2

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free base

>  <CAS> (1,541)
182683-50-7

>  <URL> (1,541)
http://www.selleckchem.com/products/epsilon-v1-2.html

$$$$

csChFnd80/09132414022D

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1545

>  <Formula> (1,542)
C21H42N6O5

>  <MolWeight> (1,542)
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>  <Cat> (1,542)
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>  <Name> (1,542)
LSKL, Inhibitor of Thrombospondin (TSP-1)

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free base

>  <CAS> (1,542)
283609-79-0

>  <URL> (1,542)
http://www.selleckchem.com/products/lskl--Inhibitor-of-thrombospondin--tsp-1--tfa-.html

$$$$
>  <Mol_ID> (1,543)
1546

>  <Cat> (1,543)
P1167

>  <Name> (1,543)
pm26TGF-¦Â1 peptide (TFA)

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free base

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http://www.selleckchem.com/products/pm26tgf-beta1-peptide--tfa-.html

$$$$

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3316-02-7

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PI3K

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free base

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469-83-0

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>  <Formula> (1,548)
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>  <MolWeight> (1,548)
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>  <Cat> (1,548)
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>  <Name> (1,548)
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>  <Synonyms> (1,548)
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>  <Target> (1,548)
Axl

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free base

>  <CAS> (1,548)
1037624-75-1

>  <URL> (1,548)
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ERK

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942183-80-4

>  <URL> (1,549)
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M  END
>  <Mol_ID> (1,550)
1553

>  <Formula> (1,550)
C22H27ClFN7O4S

>  <MolWeight> (1,550)
540.0106832

>  <Cat> (1,550)
S7108

>  <Name> (1,550)
Encorafenib (LGX818)

>  <Synonyms> (1,550)
N/A

>  <Target> (1,550)
Raf

>  <Form> (1,550)
free base

>  <CAS> (1,550)
1269440-17-6

>  <URL> (1,550)
http://www.selleckchem.com/products/lgx818.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,551)
1554

>  <Formula> (1,551)
C17H19F3N6O

>  <MolWeight> (1,551)
380.3675696

>  <Cat> (1,551)
S8162

>  <Name> (1,551)
Upadacitinib (ABT-494)

>  <Synonyms> (1,551)
N/A

>  <Target> (1,551)
JAK

>  <Form> (1,551)
free base

>  <CAS> (1,551)
1310726-60-3

>  <URL> (1,551)
http://www.selleckchem.com/products/upadacitinib.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,552)
1555

>  <Formula> (1,552)
C32H30F2N4O4

>  <MolWeight> (1,552)
572.6018064

>  <Cat> (1,552)
S8381

>  <Name> (1,552)
BMS-986142

>  <Synonyms> (1,552)
N/A

>  <Target> (1,552)
BTK

>  <Form> (1,552)
free base

>  <CAS> (1,552)
1643368-58-4

>  <URL> (1,552)
http://www.selleckchem.com/products/bms-986142.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,553)
1556

>  <Formula> (1,553)
C37H44N8O4

>  <MolWeight> (1,553)
664.79646

>  <Cat> (1,553)
S8421

>  <Name> (1,553)
Fenebrutinib (GDC-0853)

>  <Synonyms> (1,553)
N/A

>  <Target> (1,553)
BTK

>  <Form> (1,553)
free base

>  <CAS> (1,553)
1434048-34-6

>  <URL> (1,553)
http://www.selleckchem.com/products/fenebrutinib-gdc-0853.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,554)
1557

>  <Formula> (1,554)
C26H27FN10

>  <MolWeight> (1,554)
498.5579832

>  <Cat> (1,554)
S8553

>  <Name> (1,554)
Avapritinib (BLU-285)

>  <Synonyms> (1,554)
N/A

>  <Target> (1,554)
PDGFR

>  <Form> (1,554)
free base

>  <CAS> (1,554)
1703793-34-3

>  <URL> (1,554)
http://www.selleckchem.com/products/blu-285.html

$$$$

csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,555)
1558

>  <Formula> (1,555)
C22H28ClN5O2

>  <MolWeight> (1,555)
429.94302

>  <Cat> (1,555)
S8719

>  <Name> (1,555)
AZD4573

>  <Synonyms> (1,555)
N/A

>  <Target> (1,555)
CDK

>  <Form> (1,555)
free base

>  <CAS> (1,555)
2057509-72-3

>  <URL> (1,555)
http://www.selleckchem.com/products/azd4573.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,556)
1559

>  <Formula> (1,556)
C17H18N4O3S

>  <MolWeight> (1,556)
358.41482

>  <Cat> (1,556)
S8809

>  <Name> (1,556)
MC180295

>  <Synonyms> (1,556)
(rel)-MC180295

>  <Target> (1,556)
CDK

>  <Form> (1,556)
free base

>  <CAS> (1,556)
2237942-08-2

>  <URL> (1,556)
http://www.selleckchem.com/products/mc180295.html

$$$$

csChFnd80/09132414022D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,557)
1560

>  <Formula> (1,557)
C20H23FN4O2

>  <MolWeight> (1,557)
370.4206232

>  <Cat> (1,557)
S8832

>  <Name> (1,557)
Branebrutinib (BMS-986195)

>  <Synonyms> (1,557)
N/A

>  <Target> (1,557)
BTK

>  <Form> (1,557)
free base

>  <CAS> (1,557)
1912445-55-6

>  <URL> (1,557)
http://www.selleckchem.com/products/branebrutinib.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,558)
1561

>  <Formula> (1,558)
C26H32N8O3

>  <MolWeight> (1,558)
504.58408

>  <Cat> (1,558)
S8833

>  <Name> (1,558)
TAS0728

>  <Synonyms> (1,558)
TPC 107

>  <Target> (1,558)
HER2

>  <Form> (1,558)
free base

>  <CAS> (1,558)
2088323-16-2

>  <URL> (1,558)
http://www.selleckchem.com/products/tas0728.html

$$$$

csChFnd80/09132414022D

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M  ISO  1  34   2
M  END
>  <Mol_ID> (1,559)
1562

>  <Formula> (1,559)
C20H19D3N8O3

>  <MolWeight> (1,559)
425.458965334

>  <Cat> (1,559)
S8879

>  <Name> (1,559)
Deucravacitinib (BMS-986165)

>  <Synonyms> (1,559)
N/A

>  <Target> (1,559)
JAK

>  <Form> (1,559)
free base

>  <CAS> (1,559)
1609392-27-9

>  <URL> (1,559)
http://www.selleckchem.com/products/bms-986165.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,560)
1563

>  <Formula> (1,560)
C18H21Cl2N7O2

>  <MolWeight> (1,560)
438.31104

>  <Cat> (1,560)
S7178

>  <Name> (1,560)
Prexasertib HCl (LY2606368)

>  <Synonyms> (1,560)
N/A

>  <Target> (1,560)
Chk

>  <Form> (1,560)
dihydroch

>  <CAS> (1,560)
1234015-54-3

>  <URL> (1,560)
http://www.selleckchem.com/products/ly2606368.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,561)
1564

>  <Formula> (1,561)
C13H8Cl2N4OS

>  <MolWeight> (1,561)
339.19982

>  <Cat> (1,561)
S0006

>  <Name> (1,561)
BTdCPU

>  <Synonyms> (1,561)
N/A

>  <Target> (1,561)
PERK

>  <Form> (1,561)
Free base

>  <CAS> (1,561)
1257423-87-2

>  <URL> (1,561)
http://www.selleckchem.com/products/btdcpu.html

$$$$

csChFnd80/09132414022D

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1569

>  <Formula> (1,566)
C36H56O8

>  <MolWeight> (1,566)
616.82504

>  <Cat> (1,566)
S7791

>  <Name> (1,566)
Phorbol 12-myristate 13-acetate (PMA)

>  <Synonyms> (1,566)
12-O-Tetradecanoylphorbol-13-acetate,TPA, Phorbol myristate acetate

>  <Target> (1,566)
PKC

>  <Form> (1,566)
Free base

>  <CAS> (1,566)
16561-29-8

>  <URL> (1,566)
http://www.selleckchem.com/products/phorbol-12-myristate-13-acetate.html

$$$$

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1570

>  <Formula> (1,567)
C25H17F3N4O3

>  <MolWeight> (1,567)
478.4226896

>  <Cat> (1,567)
S7926

>  <Name> (1,567)
Lifirafenib (BGB-283)

>  <Synonyms> (1,567)
Beigene-283

>  <Target> (1,567)
Raf

>  <Form> (1,567)
Free base

>  <CAS> (1,567)
1446090-79-4

>  <URL> (1,567)
http://www.selleckchem.com/products/bgb-283-bgb283.html

$$$$

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>  <Formula> (1,568)
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>  <MolWeight> (1,568)
570.6371

>  <Cat> (1,568)
S8064

>  <Name> (1,568)
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>  <Synonyms> (1,568)
CGP 41251

>  <Target> (1,568)
PKC

>  <Form> (1,568)
Free base

>  <CAS> (1,568)
120685-11-2

>  <URL> (1,568)
http://www.selleckchem.com/products/midostaurin-pkc412.html

$$$$

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>  <MolWeight> (1,569)
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>  <URL> (1,569)
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1783816-74-9

>  <URL> (1,570)
http://www.selleckchem.com/products/nvs-pak1-1.html

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MAP4K

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>  <CAS> (1,571)
1792999-26-8

>  <URL> (1,571)
http://www.selleckchem.com/products/ncb-0846.html

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>  <CAS> (1,572)
1142363-52-7

>  <URL> (1,572)
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2230821-27-7

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http://www.selleckchem.com/products/gefitinib-based-protac-3.html

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1628614-50-5

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1580

>  <Formula> (1,577)
C29H30Cl2N6O2

>  <MolWeight> (1,577)
565.4935

>  <Cat> (1,577)
S0371

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(1E)-CFI-400437 dihydrochloride

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N/A

>  <Target> (1,577)
Others

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Dihydrochloride

>  <CAS> (1,577)
1247000-76-5

>  <URL> (1,577)
http://www.selleckchem.com/products/cfi-400437.html

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csChFnd80/09132414022D

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>  <Mol_ID> (1,578)
1581

>  <Formula> (1,578)
C21H18FNO7S

>  <MolWeight> (1,578)
447.4335232

>  <Cat> (1,578)
S0400

>  <Name> (1,578)
KAN0438757

>  <Synonyms> (1,578)
N/A

>  <Target> (1,578)
PFKFB

>  <Form> (1,578)
Free base

>  <CAS> (1,578)
1451255-59-6

>  <URL> (1,578)
http://www.selleckchem.com/products/kan0438757.html

$$$$

csChFnd80/09132414022D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,579)
1582

>  <Formula> (1,579)
C21H18ClFN4O4

>  <MolWeight> (1,579)
444.8434232

>  <Cat> (1,579)
S0437

>  <Name> (1,579)
SAR-20347

>  <Synonyms> (1,579)
N/A

>  <Target> (1,579)
JAK

>  <Form> (1,579)
Free base

>  <CAS> (1,579)
1450881-55-6

>  <URL> (1,579)
http://www.selleckchem.com/products/sar-20347.html

$$$$

csChFnd80/09132414022D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,580)
1583

>  <Formula> (1,580)
C23H27FN4O4

>  <MolWeight> (1,580)
442.4832832

>  <Cat> (1,580)
S0504

>  <Name> (1,580)
SU14813

>  <Synonyms> (1,580)
SU 014813

>  <Target> (1,580)
VEGFR

>  <Form> (1,580)
Free base

>  <CAS> (1,580)
627908-92-3

>  <URL> (1,580)
http://www.selleckchem.com/products/su14813.html

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csChFnd80/09132414022D

 37 40  0  0  0  0  0  0  0  0999 V2000
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1914078-41-3

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http://www.selleckchem.com/products/ecf506.html

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csChFnd80/09132414022D

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N/A

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ERK

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Free base

>  <CAS> (1,582)
2095719-92-7

>  <URL> (1,582)
http://www.selleckchem.com/products/astx-029.html

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csChFnd80/09132414022D

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>  <CAS> (1,583)
475489-16-8

>  <URL> (1,583)
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VEGFR

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319460-94-1

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http://www.selleckchem.com/products/ag-13958.html

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>  <Formula> (1,585)
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MP-412 free base

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EGFR

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>  <CAS> (1,585)
451492-95-8

>  <URL> (1,585)
http://www.selleckchem.com/products/av-412-free-base.html

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csChFnd80/09132414022D

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>  <Target> (1,586)
PI3K

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19545-26-7

>  <URL> (1,586)
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csChFnd80/09132414022D

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Serine/threonin kina

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833481-73-5

>  <URL> (1,587)
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M  END
>  <Mol_ID> (1,588)
1591

>  <Formula> (1,588)
C23H27FN6O3

>  <MolWeight> (1,588)
454.4972832

>  <Cat> (1,588)
S3523

>  <Name> (1,588)
AZD7507

>  <Target> (1,588)
CSF-1R

>  <Form> (1,588)
Free base

>  <CAS> (1,588)
1041852-85-0

>  <URL> (1,588)
http://www.selleckchem.com/products/azd7507.html

$$$$

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M  END
>  <Mol_ID> (1,589)
1592

>  <Formula> (1,589)
C30H41F3N8O11S3

>  <MolWeight> (1,589)
842.8837496

>  <Cat> (1,589)
S5984

>  <Name> (1,589)
AST5902  trimesylate

>  <Synonyms> (1,589)
N/A

>  <Target> (1,589)
Others

>  <Form> (1,589)
Trimesylate

>  <CAS> (1,589)
2412155-74-7

>  <URL> (1,589)
http://www.selleckchem.com/products/ast5902.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,590)
1593

>  <Formula> (1,590)
C18H19N7O2

>  <MolWeight> (1,590)
365.38916

>  <Cat> (1,590)
S6385

>  <Name> (1,590)
Prexasertib (LY2606368)

>  <Synonyms> (1,590)
ACR 368

>  <Target> (1,590)
Chk

>  <Form> (1,590)
Free base

>  <CAS> (1,590)
1234015-52-1

>  <URL> (1,590)
http://www.selleckchem.com/products/prexasertib-ly2606368.html

$$$$

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M  END
>  <Mol_ID> (1,591)
1594

>  <Formula> (1,591)
C26H22FN7O3

>  <MolWeight> (1,591)
499.4963832

>  <Cat> (1,591)
S6621

>  <Name> (1,591)
CCG215022

>  <Synonyms> (1,591)
N/A

>  <Target> (1,591)
GRK

>  <Form> (1,591)
Free base

>  <CAS> (1,591)
1813527-81-9

>  <URL> (1,591)
http://www.selleckchem.com/products/ccg215022.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,592)
1595

>  <Formula> (1,592)
C28H28N6O4

>  <MolWeight> (1,592)
512.55972

>  <Cat> (1,592)
S6768

>  <Name> (1,592)
CC-671

>  <Synonyms> (1,592)
N/A

>  <Target> (1,592)
MPS1

>  <Form> (1,592)
Free base

>  <CAS> (1,592)
1618658-88-0

>  <URL> (1,592)
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> (1,593)
1596

>  <Formula> (1,593)
C18H16FN3O

>  <MolWeight> (1,593)
309.3375432

>  <Cat> (1,593)
S6789

>  <Name> (1,593)
JAK Inhibitor I (Pyridone 6)

>  <Synonyms> (1,593)
CMP 6, Compound 6

>  <Target> (1,593)
JAK

>  <Form> (1,593)
Free base

>  <CAS> (1,593)
457081-03-7

>  <URL> (1,593)
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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>  <Mol_ID> (1,594)
1597

>  <Formula> (1,594)
C29H40N6O

>  <MolWeight> (1,594)
488.6675

>  <Cat> (1,594)
S6839

>  <Name> (1,594)
MRX-2843

>  <Synonyms> (1,594)
UNC2371

>  <Target> (1,594)
Mertk

>  <Form> (1,594)
Free base

>  <CAS> (1,594)
1429882-07-4

>  <URL> (1,594)
http://www.selleckchem.com/products/mrx-2843.html

$$$$

csChFnd80/09132414022D

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 18 21  1  0  0  0  0
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 25 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> (1,595)
1598

>  <Formula> (1,595)
C30H30F3N5O

>  <MolWeight> (1,595)
533.5873096

>  <Cat> (1,595)
S6840

>  <Name> (1,595)
OSU-T315

>  <Synonyms> (1,595)
ILK-IN-2

>  <Target> (1,595)
Integrin

>  <Form> (1,595)
Free base

>  <CAS> (1,595)
2070015-22-2

>  <URL> (1,595)
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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 29 30  3  0  0  0  0
 30 31  1  0  0  0  0
 28 32  2  0  0  0  0
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 33 34  1  0  0  0  0
 35 34  1  1  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
 39 40  1  0  0  0  0
 40 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,596)
1599

>  <Formula> (1,596)
C30H28Cl2FN5O3

>  <MolWeight> (1,596)
596.4794232

>  <Cat> (1,596)
S6897

>  <Name> (1,596)
Epertinib hydrochloride

>  <Synonyms> (1,596)
Epertinib HCl, S-222611 hydrochloride, S-222611 HCl

>  <Target> (1,596)
EGFR

>  <Form> (1,596)
Hydrochloride

>  <CAS> (1,596)
2071195-74-7

>  <URL> (1,596)
http://www.selleckchem.com/products/epertinib-hydrochloride.html

$$$$

csChFnd80/09132414022D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1193    2.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  2  0  0  0  0
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 27 28  1  0  0  0  0
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M  END
>  <Mol_ID> (1,597)
1600

>  <Formula> (1,597)
C21H18ClFN6O2

>  <MolWeight> (1,597)
440.8580232

>  <Cat> (1,597)
S7554

>  <Name> (1,597)
Ravoxertinib (GDC-0994)

>  <Synonyms> (1,597)
N/A

>  <Target> (1,597)
ERK

>  <Form> (1,597)
Free base

>  <CAS> (1,597)
1453848-26-4

>  <URL> (1,597)
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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  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  6  1  1  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  7  1  0  0  0  0
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 20 15  1  0  0  0  0
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  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 21 26  2  0  0  0  0
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 24 28  1  1  0  0  0
M  END
>  <Mol_ID> (1,598)
1601

>  <Formula> (1,598)
C20H21FN6O

>  <MolWeight> (1,598)
380.4187432

>  <Cat> (1,598)
S8636

>  <Name> (1,598)
Selitrectinib (LOXO-195)

>  <Synonyms> (1,598)
BAY 2731954

>  <Target> (1,598)
Trk receptor

>  <Form> (1,598)
Free base

>  <CAS> (1,598)
2097002-61-2

>  <URL> (1,598)
http://www.selleckchem.com/products/loxo-195.html

$$$$

csChFnd80/09132414022D

 36 40  0  0  0  0  0  0  0  0999 V2000
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  1 30  1  0  0  0  0
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 32 33  1  0  0  0  0
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 13 35  2  0  0  0  0
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M  END
>  <Mol_ID> (1,599)
1602

>  <Formula> (1,599)
C24H24F2N8O2

>  <MolWeight> (1,599)
494.4965664

>  <Cat> (1,599)
S8708

>  <Name> (1,599)
AZD0364 (ATG-017)

>  <Synonyms> (1,599)
N/A

>  <Target> (1,599)
ERK

>  <Form> (1,599)
Free base

>  <CAS> (1,599)
2097416-76-5

>  <URL> (1,599)
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> (1,600)
1603

>  <Formula> (1,600)
C27H32FN9O2

>  <MolWeight> (1,600)
533.6004832

>  <Cat> (1,600)
S8716

>  <Name> (1,600)
Pralsetinib (BLU-667)

>  <Synonyms> (1,600)
CS 3009, Gavreto

>  <Target> (1,600)
c-RET

>  <Form> (1,600)
Free base

>  <CAS> (1,600)
2097132-94-8

>  <URL> (1,600)
http://www.selleckchem.com/products/blu-667.html

$$$$

csChFnd80/09132414022D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,601)
1604

>  <Formula> (1,601)
C22H31ClN6O

>  <MolWeight> (1,601)
430.97414

>  <Cat> (1,601)
S8722

>  <Name> (1,601)
Samuraciclib hydrochloride (ICEC0942 hydrochloride)

>  <Synonyms> (1,601)
CT7001 hydrochloride

>  <Target> (1,601)
CDK

>  <Form> (1,601)
Hydrochloride

>  <CAS> (1,601)
1805789-54-1

>  <URL> (1,601)
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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1330782-76-7

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

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2409479-29-2

>  <URL> (1,607)
http://www.selleckchem.com/products/bay-985.html

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PKC

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56124-62-0

>  <URL> (1,608)
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>  <Cat> (1,609)
S9638

>  <Name> (1,609)
BRD0705

>  <Synonyms> (1,609)
N/A

>  <Target> (1,609)
GSK-3

>  <Form> (1,609)
Free base

>  <CAS> (1,609)
2056261-41-5

>  <URL> (1,609)
http://www.selleckchem.com/products/brd0705.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,610)
1613

>  <Formula> (1,610)
C16H14FN5O2

>  <MolWeight> (1,610)
327.3130632

>  <Cat> (1,610)
S9650

>  <Name> (1,610)
LY3143921 hydrate

>  <Synonyms> (1,610)
N/A

>  <Target> (1,610)
CDK

>  <Form> (1,610)
Hydrate

>  <CAS> (1,610)
1627696-53-0

>  <URL> (1,610)
http://www.selleckchem.com/products/ly3143921-hydrate.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,611)
1614

>  <Formula> (1,611)
C57H73FN10O11S2

>  <MolWeight> (1,611)
1157.3783232

>  <Cat> (1,611)
S9672

>  <Name> (1,611)
PROTAC SGK3 degrader-1

>  <Synonyms> (1,611)
SGK3-PROTAC1

>  <Target> (1,611)
SGK

>  <Form> (1,611)
Free base

>  <CAS> (1,611)
2381320-35-8

>  <URL> (1,611)
http://www.selleckchem.com/products/protac-sgk3-degrader-1.html

$$$$

csChFnd80/09132414022D

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 10 13  1  0  0  0  0
  3  7  1  1  0  0  0
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M  END
>  <Mol_ID> (1,612)
1615

>  <Formula> (1,612)
C20H17N9

>  <MolWeight> (1,612)
383.40928

>  <Cat> (1,612)
S9676

>  <Name> (1,612)
Ropsacitinib (PF-06826647)

>  <Synonyms> (1,612)
Tyk2-IN-8, compound 10

>  <Target> (1,612)
JAK

>  <Form> (1,612)
Free base

>  <CAS> (1,612)
2127109-84-4

>  <URL> (1,612)
http://www.selleckchem.com/products/pf-06826647.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,613)
1616

>  <Formula> (1,613)
C22H21F4N5O3

>  <MolWeight> (1,613)
479.4274528

>  <Cat> (1,613)
S9825

>  <Name> (1,613)
Pirtobrutinib (LOXO-305)

>  <Synonyms> (1,613)
LY 3527727, RXC-005

>  <Form> (1,613)
Free base

>  <CAS> (1,613)
2101700-15-4

>  <URL> (1,613)
http://www.selleckchem.com/products/pirtobrutinib-loxo-305.html

$$$$

csChFnd80/09132414022D

 23 23  0  0  0  0  0  0  0  0999 V2000
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 15 21  1  6  0  0  0
M  END
>  <Mol_ID> (1,614)
1617

>  <Formula> (1,614)
C16H27Cl2N5

>  <MolWeight> (1,614)
360.32508

>  <Cat> (1,614)
S9901

>  <Name> (1,614)
KB-0742 Dihydrochloride

>  <Synonyms> (1,614)
N/A

>  <Target> (1,614)
CDK

>  <Form> (1,614)
Dihydrochloride

>  <CAS> (1,614)
2416874-75-2

>  <URL> (1,614)
http://www.selleckchem.com/products/kb-0742-dihydrochloride.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,615)
1618

>  <Formula> (1,615)
C36H40FN9O3

>  <MolWeight> (1,615)
665.7597032

>  <Cat> (1,615)
S9944

>  <Name> (1,615)
PRN1008

>  <Synonyms> (1,615)
Rilzabrutinib

>  <Target> (1,615)
BTK

>  <Form> (1,615)
Free base

>  <CAS> (1,615)
1575596-29-0

>  <URL> (1,615)
http://www.selleckchem.com/products/prn-008.html

$$$$

csChFnd80/09132414022D

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1619

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C26H25N5O3

>  <MolWeight> (1,616)
455.5084

>  <Cat> (1,616)
E0041

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Tolebrutinib (SAR442168)

>  <Synonyms> (1,616)
PRN2246

>  <Target> (1,616)
BTK

>  <Form> (1,616)
Free base

>  <CAS> (1,616)
1971920-73-6

>  <URL> (1,616)
http://www.selleckchem.com/products/tolebrutinib-sar442168.html

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csChFnd80/09132414022D

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1620

>  <Formula> (1,617)
C28H25F2N3OS

>  <MolWeight> (1,617)
489.5794064

>  <Cat> (1,617)
E0082

>  <Name> (1,617)
R59949

>  <Synonyms> (1,617)
N/A

>  <Target> (1,617)
Others

>  <Form> (1,617)
Free base

>  <CAS> (1,617)
120166-69-0

>  <URL> (1,617)
http://www.selleckchem.com/products/r59949.html

$$$$

csChFnd80/09132414022D

 33 36  0  0  0  0  0  0  0  0999 V2000
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1621

>  <Formula> (1,618)
C23H19F3N4O3

>  <MolWeight> (1,618)
456.4171696

>  <Cat> (1,618)
E0114

>  <Name> (1,618)
Dilmapimod (SB-681323)

>  <Synonyms> (1,618)
GW 681323

>  <Target> (1,618)
p38 MAPK

>  <Form> (1,618)
Free base

>  <CAS> (1,618)
444606-18-2

>  <URL> (1,618)
http://www.selleckchem.com/products/dilmapimod-sb-681323.html

$$$$

csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,619)
1622

>  <Formula> (1,619)
C20H22ClFN6O2

>  <MolWeight> (1,619)
432.8790832

>  <Cat> (1,619)
E0121

>  <Name> (1,619)
Parsaclisib (INCB050465)

>  <Synonyms> (1,619)
INCB-50465, IBI376

>  <Target> (1,619)
PI3K

>  <Form> (1,619)
Free base

>  <CAS> (1,619)
1426698-88-5

>  <URL> (1,619)
http://www.selleckchem.com/products/parsaclisib-incb050465.html

$$$$

csChFnd80/09132414022D

 39 43  0  0  0  0  0  0  0  0999 V2000
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1623

>  <Formula> (1,620)
C29H25FN4O5

>  <MolWeight> (1,620)
528.5310032

>  <Cat> (1,620)
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>  <Name> (1,620)
XL092

>  <Synonyms> (1,620)
JUN04542

>  <Target> (1,620)
c-Met

>  <Form> (1,620)
Free base

>  <CAS> (1,620)
2367004-54-2

>  <URL> (1,620)
http://www.selleckchem.com/products/xl092.html

$$$$

csChFnd80/09132414022D

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1624

>  <Formula> (1,621)
C18H16N4O2S2

>  <MolWeight> (1,621)
384.47524

>  <Cat> (1,621)
E0301

>  <Name> (1,621)
Necrostatin-34 (Nec-34)

>  <Synonyms> (1,621)
N/A

>  <Target> (1,621)
RIP kinase

>  <Form> (1,621)
Free base

>  <CAS> (1,621)
375835-43-1

>  <URL> (1,621)
http://www.selleckchem.com/products/necrostatin-34-nec-34.html

$$$$

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>  <Mol_ID> (1,622)
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>  <Formula> (1,622)
C33H38N8O4S

>  <MolWeight> (1,622)
642.77102

>  <Cat> (1,622)
E0499

>  <Name> (1,622)
4SC-203

>  <Synonyms> (1,622)
SC 71710

>  <Target> (1,622)
FLT3

>  <Form> (1,622)
Free base

>  <CAS> (1,622)
895533-09-2

>  <URL> (1,622)
http://www.selleckchem.com/products/4sc-203.html

$$$$

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1042433-41-9

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1811510-58-3

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2541792-70-3

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1394121-05-1

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csChFnd80/09132414022D

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1412418-47-3

>  <URL> (1,632)
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csChFnd80/09132414022D

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923562-23-6

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http://www.selleckchem.com/products/flt3-in-2.html

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2763602-67-9

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http://www.selleckchem.com/products/tgfbetari-in-3.html

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csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,635)
1638

>  <Formula> (1,635)
C34H43N7O2

>  <MolWeight> (1,635)
581.75092

>  <Cat> (1,635)
E2397

>  <Name> (1,635)
hVEGF-IN-1

>  <Target> (1,635)
VEGFR

>  <Form> (1,635)
Free base

>  <CAS> (1,635)
1637443-98-1

>  <URL> (1,635)
http://www.selleckchem.com/products/hvegf-in-1.html

$$$$

csChFnd80/09132414022D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0  0  0  0
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  1  6  2  0  0  0  0
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1639

>  <Formula> (1,636)
C18H19ClFN7

>  <MolWeight> (1,636)
387.8417632

>  <Cat> (1,636)
E2399

>  <Name> (1,636)
Falnidamol

>  <Synonyms> (1,636)
BIBX1382

>  <Target> (1,636)
EGFR

>  <Form> (1,636)
Free base

>  <CAS> (1,636)
196612-93-8

>  <URL> (1,636)
http://www.selleckchem.com/products/falnidamol.html

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csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,637)
1640

>  <Formula> (1,637)
C16H15N5

>  <MolWeight> (1,637)
277.3238

>  <Cat> (1,637)
E2401

>  <Name> (1,637)
SPP-86

>  <Target> (1,637)
PI3K

>  <Form> (1,637)
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>  <CAS> (1,637)
1357349-91-7

>  <URL> (1,637)
http://www.selleckchem.com/products/spp-86.html

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csChFnd80/09132414022D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Cat> (1,638)
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>  <Synonyms> (1,638)
DCC-3014

>  <Target> (1,638)
CSF-1R

>  <Form> (1,638)
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>  <CAS> (1,638)
1628606-05-2

>  <URL> (1,638)
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csChFnd80/09132414022D

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882531-87-5

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CDK

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RIP kinase

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1423186-80-4

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http://www.selleckchem.com/products/gsk2983559-active-metabolite.html

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PI3K

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901398-68-3

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http://www.selleckchem.com/products/pik-108.html

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1473404-51-1

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M  END
>  <Mol_ID> (1,648)
1651

>  <Formula> (1,648)
C26H20F3N7O

>  <MolWeight> (1,648)
503.4785096

>  <Cat> (1,648)
E2835

>  <Name> (1,648)
NVP-BHG712 isomer

>  <Target> (1,648)
Ephrin receptor

>  <Form> (1,648)
Free base

>  <CAS> (1,648)
2245892-85-5

>  <URL> (1,648)
http://www.selleckchem.com/products/nvp-bhg712-isomer.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,649)
1652

>  <Formula> (1,649)
C23H28BrN7O3S

>  <MolWeight> (1,649)
562.48252

>  <Cat> (1,649)
E2836

>  <Name> (1,649)
ALK inhibitor 1

>  <Synonyms> (1,649)
compound 17

>  <Target> (1,649)
ALK

>  <Form> (1,649)
Free base

>  <CAS> (1,649)
761436-81-1

>  <URL> (1,649)
http://www.selleckchem.com/products/alk-inhibitor-1.html

$$$$

csChFnd80/09132414022D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,650)
1653

>  <Formula> (1,650)
C20H21F3N4O4S

>  <MolWeight> (1,650)
470.4653496

>  <Cat> (1,650)
E2837

>  <Name> (1,650)
Zabedosertib

>  <Synonyms> (1,650)
BAY 1834845

>  <Target> (1,650)
IRAK

>  <Form> (1,650)
Free base

>  <CAS> (1,650)
1931994-81-8

>  <URL> (1,650)
http://www.selleckchem.com/products/zabedosertib.html

$$$$

csChFnd80/09132414022D

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.
M  END
>  <Mol_ID> (1,651)
1654

>  <Formula> (1,651)
C26H26N4O4R

>  <MolWeight> (1,651)
458.50904

>  <Cat> (1,651)
E2839

>  <Name> (1,651)
Bisindolylmaleimide VIII (acetate)

>  <Synonyms> (1,651)
Ro 31-7549 acetate

>  <Target> (1,651)
PKC

>  <Form> (1,651)
Acetate

>  <CAS> (1,651)
138516-31-1

>  <URL> (1,651)
http://www.selleckchem.com/products/bisindolylmaleimide-8--acetate-.html

$$$$

csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,652)
1655

>  <Formula> (1,652)
C26H26N6O3

>  <MolWeight> (1,652)
470.52304

>  <Cat> (1,652)
E2843

>  <Name> (1,652)
Poseltinib

>  <Synonyms> (1,652)
HM71224, LY3337641

>  <Target> (1,652)
BTK

>  <Form> (1,652)
Free base

>  <CAS> (1,652)
1353552-97-2

>  <URL> (1,652)
http://www.selleckchem.com/products/poseltinib.html

$$$$

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Haspin Kinase

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184582-62-5

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http://www.selleckchem.com/products/ldn-192960.html

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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,657)
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C24H29N5O2

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>  <Cat> (1,657)
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>  <Synonyms> (1,657)
N/A

>  <Target> (1,657)
TAK1

>  <Form> (1,657)
Free base

>  <URL> (1,657)
http://www.selleckchem.com/products/hs-276.html

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csChFnd80/09132414022D

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1661

>  <Formula> (1,658)
C20H18N6O3

>  <MolWeight> (1,658)
390.39532

>  <Cat> (1,658)
E2818

>  <Name> (1,658)
MARK4 inhibitor 1

>  <Target> (1,658)
AMPK

>  <Form> (1,658)
Free base

>  <CAS> (1,658)
2271081-58-2

>  <URL> (1,658)
http://www.selleckchem.com/products/mark4-inhibitor-1.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,659)
1662

>  <Formula> (1,659)
C22H24ClN7O

>  <MolWeight> (1,659)
437.92526

>  <Cat> (1,659)
S0206

>  <Name> (1,659)
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>  <Synonyms> (1,659)
N/A

>  <Target> (1,659)
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>  <Form> (1,659)
Free base

>  <CAS> (1,659)
1439934-41-4

>  <URL> (1,659)
http://www.selleckchem.com/products/ctx-0294885.html

$$$$

csChFnd80/09132414022D

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1663

>  <Formula> (1,660)
C20H20N2O3

>  <MolWeight> (1,660)
336.3844

>  <Cat> (1,660)
S0736

>  <Name> (1,660)
AG 556

>  <Synonyms> (1,660)
N/A

>  <Target> (1,660)
EGFR

>  <Form> (1,660)
Free base

>  <CAS> (1,660)
133550-41-1

>  <URL> (1,660)
http://www.selleckchem.com/products/ag-556.html

$$$$

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ERK

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2055597-12-9

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2729996-45-4

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csChFnd80/09132414022D

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552325-16-3

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1269815-17-9

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C27H35N5O3

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477.5985

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p38-¦Á MAPK-IN-1

>  <Target> (1,665)
p38 MAPK

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Free base

>  <CAS> (1,665)
443913-15-3

>  <URL> (1,665)
https://www.selleckchem.com/products/p38-alpha-mapk-in-1.html

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csChFnd80/09132414022D

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1669

>  <Formula> (1,666)
C20H13ClF2N4O4S

>  <MolWeight> (1,666)
478.8564264

>  <Cat> (1,666)
E2375

>  <Name> (1,666)
PI3K/mTOR Inhibitor-2

>  <Target> (1,666)
PI3K, mTOR

>  <Form> (1,666)
Free base

>  <CAS> (1,666)
1848242-58-9

>  <URL> (1,666)
https://www.selleckchem.com/products/pi3k-mtor-inhibitor-2.html

$$$$

csChFnd80/09132414022D

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>  <Mol_ID> (1,667)
1670

>  <Formula> (1,667)
C17H19Cl2N5O4S

>  <MolWeight> (1,667)
460.33486

>  <Cat> (1,667)
E2404

>  <Name> (1,667)
NVP-LCQ195

>  <Synonyms> (1,667)
LCQ-195, AT9311

>  <Target> (1,667)
CDK

>  <Form> (1,667)
Free base

>  <CAS> (1,667)
902156-99-4

>  <URL> (1,667)
https://www.selleckchem.com/products/nvp-lcq195.html

$$$$

csChFnd80/09132414022D

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M  END
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1671

>  <Formula> (1,668)
C28H27N7O2

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>  <Cat> (1,668)
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JNK

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>  <CAS> (1,668)
1408064-71-0

>  <URL> (1,668)
https://www.selleckchem.com/products/jnk-in-7.html

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1025821-33-3

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https://www.selleckchem.com/products/gsk626616.html

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1218779-75-9

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M  END
>  <Mol_ID> (1,674)
1677

>  <Formula> (1,674)
C11H9NO3S

>  <MolWeight> (1,674)
235.25906

>  <Cat> (1,674)
P3292

>  <Name> (1,674)
WAY-278534

>  <Synonyms> (1,674)
N/A

>  <Target> (1,674)
Pim-1,Pim-2

>  <Form> (1,674)
free base

>  <CAS> (1,674)
6320-51-0

>  <URL> (1,674)
N/A

$$$$
WAY-299369
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,675)
1678

>  <Formula> (1,675)
C15H15ClN2O3

>  <MolWeight> (1,675)
306.7442

>  <Cat> (1,675)
P3304

>  <Name> (1,675)
WAY-299369

>  <Synonyms> (1,675)
N/A

>  <Target> (1,675)
AR,DNA binding,GSK-3¦Á/¦Â,MDM4 and p53

>  <Form> (1,675)
free base

>  <CAS> (1,675)
1005078-45-4

>  <URL> (1,675)
N/A

$$$$
WAY-383270
csChFnd80/09132414022D

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 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,676)
1679

>  <Formula> (1,676)
C23H24FN3O2S

>  <MolWeight> (1,676)
425.5189632

>  <Cat> (1,676)
P3419

>  <Name> (1,676)
WAY-383270

>  <Synonyms> (1,676)
N/A

>  <Target> (1,676)
Casein kinase 1¦Ä

>  <Form> (1,676)
free base

>  <CAS> (1,676)
1024284-84-1

>  <URL> (1,676)
N/A

$$$$
GI-566508
csChFnd80/09132414022D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,677)
1680

>  <Formula> (1,677)
C17H17N3S

>  <MolWeight> (1,677)
295.40198

>  <Cat> (1,677)
P3259

>  <Name> (1,677)
GI-566508

>  <Synonyms> (1,677)
N/A

>  <Target> (1,677)
EGFR 

>  <Form> (1,677)
free base

>  <CAS> (1,677)
1164458-14-3

>  <URL> (1,677)
N/A

$$$$
WAY-107407
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,678)
1681

>  <Formula> (1,678)
C15H12N2O3

>  <MolWeight> (1,678)
268.26738

>  <Cat> (1,678)
P3262

>  <Name> (1,678)
WAY-107407

>  <Synonyms> (1,678)
N/A

>  <Target> (1,678)
PI3K

>  <Form> (1,678)
free base

>  <CAS> (1,678)
1164469-67-3

>  <URL> (1,678)
N/A

$$$$
WAY-114506
csChFnd80/09132414022D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,679)
1682

>  <Formula> (1,679)
C10H18N4O4

>  <MolWeight> (1,679)
258.27432

>  <Cat> (1,679)
P3265

>  <Name> (1,679)
WAY-114506

>  <Synonyms> (1,679)
N/A

>  <Target> (1,679)
amyloid beta

>  <Form> (1,679)
free base

>  <CAS> (1,679)
1164500-43-9

>  <URL> (1,679)
N/A

$$$$
WAY-221060-A
csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,680)
1683

>  <Formula> (1,680)
C17H25NO

>  <MolWeight> (1,680)
259.3865

>  <Cat> (1,680)
P3266

>  <Name> (1,680)
WAY-221060-A

>  <Synonyms> (1,680)
N/A

>  <Target> (1,680)
hOCT1 and hOCT2,JARID1A and JARID1B

>  <Form> (1,680)
free base

>  <CAS> (1,680)
1351406-38-6

>  <URL> (1,680)
N/A

$$$$
WAY-240932
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,681)
1684

>  <Formula> (1,681)
C15H11BrN2O2S

>  <MolWeight> (1,681)
363.22904

>  <Cat> (1,681)
P3269

>  <Name> (1,681)
WAY-240932

>  <Synonyms> (1,681)
N/A

>  <Target> (1,681)
serine/threonine kinase

>  <Form> (1,681)
free base

>  <CAS> (1,681)
326914-66-3

>  <URL> (1,681)
N/A

$$$$
WAY-299590
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,682)
1685

>  <Formula> (1,682)
C19H20FNO

>  <MolWeight> (1,682)
297.3666032

>  <Cat> (1,682)
P3305

>  <Name> (1,682)
WAY-299590

>  <Synonyms> (1,682)
N/A

>  <Target> (1,682)
InhA,p38a

>  <Form> (1,682)
free base

>  <CAS> (1,682)
260428-61-3

>  <URL> (1,682)
N/A

$$$$
WAY-300062
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,683)
1686

>  <Formula> (1,683)
C16H16N4O2S

>  <MolWeight> (1,683)
328.38884

>  <Cat> (1,683)
P3307

>  <Name> (1,683)
WAY-300062

>  <Synonyms> (1,683)
N/A

>  <Target> (1,683)
Anti-infection

>  <Form> (1,683)
free base

>  <CAS> (1,683)
330990-68-6

>  <URL> (1,683)
N/A

$$$$
WAY-601017
csChFnd80/09132414022D

 35 39  0  0  0  0  0  0  0  0999 V2000
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WAY-601035
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N/A

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WAY-614915
csChFnd80/09132414022D

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WAY-615029
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WAY-632613
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N/A

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WAY-632896
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784170-07-6

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N/A

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WAY-632963-A
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  2  0  0  0  0
  5  2  2  0  0  0  0
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  9  1  2  0  0  0  0
 10  7  2  0  0  0  0
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 15 13  1  0  0  0  0
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  5  4  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,690)
1693

>  <Formula> (1,690)
C11H12ClN3O

>  <MolWeight> (1,690)
237.68548

>  <Cat> (1,690)
P3478

>  <Name> (1,690)
WAY-632963

>  <Synonyms> (1,690)
N/A

>  <Target> (1,690)
Aurora kinase A

>  <Form> (1,690)
free base

>  <CAS> (1,690)
900640-73-5

>  <URL> (1,690)
N/A

$$$$
WAY-633334
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.7667   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 13  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  2  0  0  0  0
 14 15  2  0  0  0  0
 15  6  1  0  0  0  0
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 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19  3  1  0  0  0  0
 20  2  1  0  0  0  0
 21  5  1  0  0  0  0
  3  5  1  0  0  0  0
  9  7  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,691)
1694

>  <Formula> (1,691)
C15H15N3O2S

>  <MolWeight> (1,691)
301.3635

>  <Cat> (1,691)
P3479

>  <Name> (1,691)
WAY-633334

>  <Synonyms> (1,691)
N/A

>  <Target> (1,691)
Casein kinase 1¦Ä

>  <Form> (1,691)
free base

>  <CAS> (1,691)
757224-44-5

>  <URL> (1,691)
N/A

$$$$
WAY-633877
csChFnd80/09132414022D

 29 34  0  0  0  0  0  0  0  0999 V2000
    0.3125   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8 12  2  0  0  0  0
  9 14  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12 13  1  0  0  0  0
 13  4  2  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 23  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  2  0  0  0  0
 24  2  1  0  0  0  0
 25 10  1  0  0  0  0
 26 14  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29 27  1  0  0  0  0
 10  7  2  0  0  0  0
  8  5  1  0  0  0  0
 11  9  1  0  0  0  0
 29 28  1  0  0  0  0
 18 16  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,692)
1695

>  <Formula> (1,692)
C21H19N5O3

>  <MolWeight> (1,692)
389.40726

>  <Cat> (1,692)
P3480

>  <Name> (1,692)
WAY-633877

>  <Synonyms> (1,692)
N/A

>  <Target> (1,692)
Casein kinase 1¦Ä

>  <Form> (1,692)
free base

>  <CAS> (1,692)
782452-74-8

>  <URL> (1,692)
N/A

$$$$
WAY-652435
csChFnd80/09132414022D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    1.3292    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
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  3  5  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,693)
1696

>  <Formula> (1,693)
C9H15N3O

>  <MolWeight> (1,693)
181.2349

>  <Cat> (1,693)
P3514

>  <Name> (1,693)
WAY-652435

>  <Synonyms> (1,693)
N/A

>  <Target> (1,693)
P2Y12,tankyrase,Aurora Kinase

>  <Form> (1,693)
free base

>  <CAS> (1,693)
173850-51-6

>  <URL> (1,693)
N/A

$$$$
WAY-652509
csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
    7.1555    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1431    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0143    7.8878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7240    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2986    7.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5829    7.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7176    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0060    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  0  0  0  0
 15  9  1  0  0  0  0
 16  8  2  0  0  0  0
 17 10  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 14 13  1  0  0  0  0
  3  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,694)
1697

>  <Formula> (1,694)
C15H12ClN3

>  <MolWeight> (1,694)
269.72888

>  <Cat> (1,694)
P3515

>  <Name> (1,694)
WAY-652509

>  <Synonyms> (1,694)
N/A

>  <Target> (1,694)
quinone reductase 2,Casein kinase 1¦Ä

>  <Form> (1,694)
free base

>  <CAS> (1,694)
854355-54-7

>  <URL> (1,694)
N/A

$$$$
WAY-652641
csChFnd80/09132414022D

 14 14  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
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 10  7  2  0  0  0  0
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  3  4  2  0  0  0  0
M  END
>  <Mol_ID> (1,695)
1698

>  <Formula> (1,695)
C9H14N2O3

>  <MolWeight> (1,695)
198.21906

>  <Cat> (1,695)
P3516

>  <Name> (1,695)
WAY-652641

>  <Synonyms> (1,695)
N/A

>  <Target> (1,695)
CDK

>  <Form> (1,695)
free base

>  <CAS> (1,695)
852851-73-1

>  <URL> (1,695)
N/A

$$$$
WAY-652848
csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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848057-98-7

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N/A

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WAY-653005
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free base

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74190-66-2

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N/A

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WAY-271413
csChFnd80/09132414022D

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GSK-3¦Â

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free base

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536731-65-4

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N/A

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WAY-271999
csChFnd80/09132414022D

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c-Met

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free base

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147920-34-1

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N/A

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WAY-272130
csChFnd80/09132414022D

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442534-83-0

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N/A

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WAY-272324
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,701)
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>  <Name> (1,701)
WAY-272324

>  <Synonyms> (1,701)
N/A

>  <Target> (1,701)
 PI3K

>  <Form> (1,701)
free base

>  <CAS> (1,701)
900515-01-7

>  <URL> (1,701)
N/A

$$$$
WAY-272449
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,702)
1705

>  <Formula> (1,702)
C17H11ClN2O3S

>  <MolWeight> (1,702)
358.79884

>  <Cat> (1,702)
P3287

>  <Name> (1,702)
WAY-272449

>  <Synonyms> (1,702)
N/A

>  <Target> (1,702)
FGFR1

>  <Form> (1,702)
free base

>  <CAS> (1,702)
670266-26-9

>  <URL> (1,702)
N/A

$$$$
WAY-272589
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,703)
1706

>  <Formula> (1,703)
C16H15N3O2S2

>  <MolWeight> (1,703)
345.4392

>  <Cat> (1,703)
P3288

>  <Name> (1,703)
WAY-272589

>  <Synonyms> (1,703)
N/A

>  <Target> (1,703)
pin1

>  <Form> (1,703)
free base

>  <CAS> (1,703)
637325-53-2

>  <URL> (1,703)
N/A

$$$$
WAY-320008
csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,704)
1707

>  <Formula> (1,704)
C20H16N4

>  <MolWeight> (1,704)
312.36784

>  <Cat> (1,704)
P3322

>  <Name> (1,704)
WAY-320008

>  <Synonyms> (1,704)
N/A

>  <Target> (1,704)
tropomyosin-related kinase a

>  <Form> (1,704)
free base

>  <CAS> (1,704)
128889-33-8

>  <URL> (1,704)
N/A

$$$$
WAY-320426
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,705)
1708

>  <Formula> (1,705)
C14H14ClN3O2

>  <MolWeight> (1,705)
291.73286

>  <Cat> (1,705)
P3326

>  <Name> (1,705)
WAY-320426

>  <Synonyms> (1,705)
N/A

>  <Target> (1,705)
Anti-infection

>  <Form> (1,705)
free base

>  <CAS> (1,705)
312601-47-1

>  <URL> (1,705)
N/A

$$$$
WAY-635767
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,706)
1709

>  <Formula> (1,706)
C12H12ClN3O

>  <MolWeight> (1,706)
249.69618

>  <Cat> (1,706)
P3488

>  <Name> (1,706)
WAY-635767

>  <Synonyms> (1,706)
N/A

>  <Target> (1,706)
Aurora kinase A

>  <Form> (1,706)
free base

>  <CAS> (1,706)
790232-33-6

>  <URL> (1,706)
N/A

$$$$
CL-16859
csChFnd80/09132414022D

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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
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 12 15  1  0  0  0  0
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 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> (1,707)
1710

>  <Formula> (1,707)
C14H20N2O2

>  <MolWeight> (1,707)
248.3208

>  <Cat> (1,707)
P3254

>  <Name> (1,707)
CL-16859

>  <Synonyms> (1,707)
N/A

>  <Target> (1,707)
Anti-infection 

>  <Form> (1,707)
free base

>  <CAS> (1,707)
438025-86-6

>  <URL> (1,707)
N/A

$$$$
WAY-320706
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 21  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17  7  1  0  0  0  0
 18 20  1  0  0  0  0
 19 13  2  0  0  0  0
 20 17  2  0  0  0  0
 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> (1,708)
1711

>  <Formula> (1,708)
C13H11ClN6OS2

>  <MolWeight> (1,708)
366.84904

>  <Cat> (1,708)
P3328

>  <Name> (1,708)
WAY-320706

>  <Synonyms> (1,708)
N/A

>  <Target> (1,708)
Anti-infection, ATOH-1

>  <Form> (1,708)
free base

>  <CAS> (1,708)
370092-42-5

>  <URL> (1,708)
N/A

$$$$
WAY-320774
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  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11 14  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22 16  2  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
  7  5  2  0  0  0  0
  6  9  2  0  0  0  0
 23 22  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,709)
1712

>  <Formula> (1,709)
C19H16N4O2S

>  <MolWeight> (1,709)
364.42094

>  <Cat> (1,709)
P3329

>  <Name> (1,709)
WAY-320774

>  <Synonyms> (1,709)
N/A

>  <Target> (1,709)
Kanamycin Resistance Enzyme Eis

>  <Form> (1,709)
free base

>  <CAS> (1,709)
425653-38-9

>  <URL> (1,709)
N/A

$$$$
WAY-320951
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  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> (1,710)
1713

>  <Formula> (1,710)
C14H11N3O4S

>  <MolWeight> (1,710)
317.31984

>  <Cat> (1,710)
P3330

>  <Name> (1,710)
WAY-320951

>  <Synonyms> (1,710)
N/A

>  <Target> (1,710)
Anti-infection

>  <Form> (1,710)
free base

>  <CAS> (1,710)
430444-03-4

>  <URL> (1,710)
N/A

$$$$
WAY-321002
csChFnd80/09132414022D

 24 27  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  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> (1,711)
1714

>  <Formula> (1,711)
C20H16N4

>  <MolWeight> (1,711)
312.36784

>  <Cat> (1,711)
P3331

>  <Name> (1,711)
WAY-321002

>  <Synonyms> (1,711)
N/A

>  <Target> (1,711)
EGFR,PDE-5,TGF-¦Â,p38-¦Á,

>  <Form> (1,711)
free base

>  <CAS> (1,711)
166039-38-9

>  <URL> (1,711)
N/A

$$$$
WAY-321364
csChFnd80/09132414022D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.1032   -0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3894   -0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0411   -1.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
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 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
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 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> (1,712)
1715

>  <Formula> (1,712)
C21H17N3O4

>  <MolWeight> (1,712)
375.37738

>  <Cat> (1,712)
P3332

>  <Name> (1,712)
WAY-321364

>  <Synonyms> (1,712)
N/A

>  <Target> (1,712)
casein kinase 2

>  <Form> (1,712)
free base

>  <CAS> (1,712)
385389-39-9

>  <URL> (1,712)
N/A

$$$$
WAY-321366
csChFnd80/09132414022D

 27 30  0  0  0  0  0  0  0  0999 V2000
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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> (1,713)
1716

>  <Formula> (1,713)
C20H14ClN3O3

>  <MolWeight> (1,713)
379.79646

>  <Cat> (1,713)
P3333

>  <Name> (1,713)
WAY-321366

>  <Synonyms> (1,713)
N/A

>  <Target> (1,713)
tyrosine kinase

>  <Form> (1,713)
free base

>  <CAS> (1,713)
370854-75-4

>  <URL> (1,713)
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
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   -0.3000   -0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,714)
1717

>  <Formula> (1,714)
C13H11N3O

>  <MolWeight> (1,714)
225.24594

>  <Cat> (1,714)
P3334

>  <Name> (1,714)
WAY-321582-A

>  <Synonyms> (1,714)
N/A

>  <Target> (1,714)
casein kinase 2

>  <Form> (1,714)
free base

>  <CAS> (1,714)
34116-16-0

>  <URL> (1,714)
N/A

$$$$
WAY-321961
csChFnd80/09132414022D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.8875   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  6  1  0  0  0  0
 11  8  2  0  0  0  0
 12  2  1  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 16 12  1  0  0  0  0
  6  4  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,715)
1718

>  <Formula> (1,715)
C12H11NO3

>  <MolWeight> (1,715)
217.22064

>  <Cat> (1,715)
P3336

>  <Name> (1,715)
WAY-321961

>  <Synonyms> (1,715)
N/A

>  <Target> (1,715)
protein kinase D

>  <Form> (1,715)
free base

>  <CAS> (1,715)
370586-05-3

>  <URL> (1,715)
N/A

$$$$
WAY-322545
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.4167   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2792   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
 15 17  2  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 10  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
  4  3  1  0  0  0  0
 21 18  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,716)
1719

>  <Formula> (1,716)
C17H19ClN2O3

>  <MolWeight> (1,716)
334.79736

>  <Cat> (1,716)
P3337

>  <Name> (1,716)
WAY-322545

>  <Synonyms> (1,716)
N/A

>  <Target> (1,716)
GSK-3¦Á/¦Â

>  <Form> (1,716)
free base

>  <CAS> (1,716)
451449-70-0

>  <URL> (1,716)
N/A

$$$$
WAY-322940
csChFnd80/09132414022D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.3756    5.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5522    4.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9521    4.1195    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1391    5.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7590    5.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5609    7.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7716    8.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9401    5.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7571    6.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3965    9.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7233    4.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9353    2.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7443    1.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7769    5.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6318   10.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1356    4.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  2  0  0  0  0
  9  6  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  5  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17  6  2  0  0  0  0
 18 14  2  0  0  0  0
 19  4  1  0  0  0  0
 20 26  2  0  0  0  0
 21 13  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 21  1  0  0  0  0
 28 21  2  0  0  0  0
 29 22  1  0  0  0  0
 30 23  1  0  0  0  0
 31 24  1  0  0  0  0
  2  5  2  0  0  0  0
 13 18  1  0  0  0  0
  8 10  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,717)
1720

>  <Formula> (1,717)
C22H20N4O4S

>  <MolWeight> (1,717)
436.4836

>  <Cat> (1,717)
P3338

>  <Name> (1,717)
WAY-322940

>  <Synonyms> (1,717)
N/A

>  <Target> (1,717)
Rho 

>  <Form> (1,717)
free base

>  <CAS> (1,717)
445267-51-6

>  <URL> (1,717)
N/A

$$$$
WAY-604116
csChFnd80/09132414022D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.7650   -0.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0857    0.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5350   -0.0726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1202    1.0515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9305    0.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1798    0.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8350   -0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8350   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4798    0.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4798   -1.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350   -0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1281   -0.8174    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  5  1  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
  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
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,718)
1721

>  <Formula> (1,718)
C17H22N2O

>  <MolWeight> (1,718)
270.36938

>  <Cat> (1,718)
P3436

>  <Name> (1,718)
WAY-604116

>  <Synonyms> (1,718)
N/A

>  <Target> (1,718)
sphingosine kinase,11¦Â-hydroxysteroid dehyd

>  <Form> (1,718)
free base

>  <CAS> (1,718)
121768-39-6

>  <URL> (1,718)
N/A

$$$$
WAY-299721
csChFnd80/09132414022D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.6690    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -0.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4897    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172    1.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0586    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379    1.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -0.0207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8793    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1517    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2000   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6414   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4517   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621    2.1310    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6207   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931   -2.0207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4621   -1.0310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -1.3724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  5  9  2  0  0  0  0
 13 15  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,719)
1722

>  <Formula> (1,719)
C18H15ClF3N5OS

>  <MolWeight> (1,719)
441.8578096

>  <Cat> (1,719)
P3306

>  <Name> (1,719)
WAY-299721

>  <Synonyms> (1,719)
N/A

>  <Target> (1,719)
SYK kinase

>  <Form> (1,719)
free base

>  <CAS> (1,719)
338427-78-4

>  <URL> (1,719)
N/A

$$$$
WAY-300385
csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.8586    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586   -1.4276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138   -1.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897    0.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    1.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5310    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8310   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517   -0.5172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7241    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6862    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9655   -0.9276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414    0.7103    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
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,720)
1723

>  <Formula> (1,720)
C13H15N3O2S2

>  <MolWeight> (1,720)
309.4071

>  <Cat> (1,720)
P3308

>  <Name> (1,720)
WAY-300385

>  <Synonyms> (1,720)
N/A

>  <Target> (1,720)
Anti-infection

>  <Form> (1,720)
free base

>  <CAS> (1,720)
500188-71-6

>  <URL> (1,720)
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
   -0.6034   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379   -0.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034    1.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759    2.0828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8207   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5483    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3552    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3621   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9379   -1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1379   -0.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1034    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1724    1.2138    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
  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
  9 14  1  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
 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> (1,721)
1724

>  <Formula> (1,721)
C18H11BrN2O4

>  <MolWeight> (1,721)
399.19494

>  <Cat> (1,721)
P3309

>  <Name> (1,721)
WAY-300442

>  <Synonyms> (1,721)
N/A

>  <Target> (1,721)
ATP-kinase

>  <Form> (1,721)
free base

>  <CAS> (1,721)
333773-08-3

>  <URL> (1,721)
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
    5.8542   -8.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0292   -8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4917   -5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -7.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,722)
1725

>  <Formula> (1,722)
C24H22N4O2

>  <MolWeight> (1,722)
398.45708

>  <Cat> (1,722)
P3420

>  <Name> (1,722)
WAY-384934

>  <Synonyms> (1,722)
N/A

>  <Target> (1,722)
pyruvate kinase

>  <Form> (1,722)
free base

>  <CAS> (1,722)
498568-75-5

>  <URL> (1,722)
N/A

$$$$
WAY-388796
csChFnd80/09132414022D

 15 17  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,723)
1726

>  <Formula> (1,723)
C11H11ClN2S

>  <MolWeight> (1,723)
238.73644

>  <Cat> (1,723)
P3421

>  <Name> (1,723)
WAY-388796

>  <Synonyms> (1,723)
N/A

>  <Target> (1,723)
PDE5,PARP-1,PDE4,LIMK1,c-Met

>  <Form> (1,723)
free base

>  <CAS> (1,723)
40106-58-9

>  <URL> (1,723)
N/A

$$$$
WAY-388798
csChFnd80/09132414022D

 12 13  0  0  0  0  0  0  0  0999 V2000
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    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
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M  END
>  <Mol_ID> (1,724)
1727

>  <Formula> (1,724)
C7H5ClN2OS

>  <MolWeight> (1,724)
200.6454

>  <Cat> (1,724)
P3422

>  <Name> (1,724)
WAY-388798

>  <Synonyms> (1,724)
N/A

>  <Target> (1,724)
GPR40,histone deacetylase,mGluR5 receptor

>  <Form> (1,724)
free base

>  <CAS> (1,724)
63417-81-2

>  <URL> (1,724)
N/A

$$$$
WAY-346940
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
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 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
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 13  6  2  0  0  0  0
 14  8  1  0  0  0  0
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 19 12  1  0  0  0  0
 15 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,725)
1728

>  <Formula> (1,725)
C15H11ClN4O2S

>  <MolWeight> (1,725)
346.79144

>  <Cat> (1,725)
P3391

>  <Name> (1,725)
WAY-346940

>  <Synonyms> (1,725)
N/A

>  <Target> (1,725)
Rho

>  <Form> (1,725)
free base

>  <CAS> (1,725)
392246-66-1

>  <URL> (1,725)
N/A

$$$$
WAY-347243
csChFnd80/09132414022D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
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  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
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 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,726)
1729

>  <Formula> (1,726)
C11H13N3S

>  <MolWeight> (1,726)
219.30602

>  <Cat> (1,726)
P3392

>  <Name> (1,726)
WAY-347243

>  <Synonyms> (1,726)
N/A

>  <Target> (1,726)
Anti-infection

>  <Form> (1,726)
free base

>  <CAS> (1,726)
422298-69-9

>  <URL> (1,726)
N/A

$$$$
WAY-347626
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  4  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  1  2  0  0  0  0
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 10  6  1  0  0  0  0
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 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15  4  1  0  0  0  0
 16 20  1  0  0  0  0
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 22  7  1  0  0  0  0
 23 13  1  0  0  0  0
  5  2  1  0  0  0  0
  7 12  1  0  0  0  0
 11 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,727)
1730

>  <Formula> (1,727)
C17H15N3O3

>  <MolWeight> (1,727)
309.3193

>  <Cat> (1,727)
P3393

>  <Name> (1,727)
WAY-347626

>  <Synonyms> (1,727)
N/A

>  <Target> (1,727)
CDK2

>  <Form> (1,727)
free base

>  <CAS> (1,727)
756843-31-9

>  <URL> (1,727)
N/A

$$$$
WAY-347806
csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    5.7542   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -3.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792   -4.7375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -2.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8042   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0167   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4292   -5.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.6125    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  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  2  0  0  0  0
  9 16  2  0  0  0  0
 10 18  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17  6  1  0  0  0  0
 18 17  2  0  0  0  0
 19 23  1  0  0  0  0
 20 22  1  0  0  0  0
 21  9  1  0  0  0  0
 22 12  1  0  0  0  0
 23 20  2  0  0  0  0
 24 15  1  0  0  0  0
 25 24  1  0  0  0  0
  5  3  1  0  0  0  0
 10  7  2  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,728)
1731

>  <Formula> (1,728)
C17H13FN2O4S

>  <MolWeight> (1,728)
360.3595232

>  <Cat> (1,728)
P3394

>  <Name> (1,728)
WAY-347806

>  <Synonyms> (1,728)
N/A

>  <Target> (1,728)
CK2,GSK3¦Â

>  <Form> (1,728)
free base

>  <CAS> (1,728)
757198-76-8

>  <URL> (1,728)
N/A

$$$$
WAY-348144
csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.1417   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5125   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -3.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -6.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -7.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5250  -14.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292  -13.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -8.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5500   -6.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417  -10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917   -6.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2125   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9375  -12.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542  -11.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167  -12.5000    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 11  1  0  0  0  0
  9 10  3  0  0  0  0
 10 18  1  0  0  0  0
 11  7  2  0  0  0  0
 12 17  1  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22 23  1  0  0  0  0
 23 15  2  0  0  0  0
 24 22  2  0  0  0  0
  5  4  2  0  0  0  0
  6  8  2  0  0  0  0
 24 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,729)
1732

>  <Formula> (1,729)
C17H14N4O2S

>  <MolWeight> (1,729)
338.38366

>  <Cat> (1,729)
P3395

>  <Name> (1,729)
WAY-348144

>  <Synonyms> (1,729)
N/A

>  <Target> (1,729)
Casein kinase 1¦Ä

>  <Form> (1,729)
free base

>  <CAS> (1,729)
764694-25-9

>  <URL> (1,729)
N/A

$$$$
WAY-349858
csChFnd80/09132414022D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.6625   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9625   -5.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -6.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -2.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -8.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417   -9.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -3.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542   -8.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2042   -8.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667  -10.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5542  -10.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 12  4  2  0  0  0  0
 13  6  2  0  0  0  0
 14 15  1  0  0  0  0
 15  6  1  0  0  0  0
 16 18  2  0  0  0  0
 17  4  1  0  0  0  0
 18 14  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,730)
1733

>  <Formula> (1,730)
C15H16N2O4S

>  <MolWeight> (1,730)
320.36354

>  <Cat> (1,730)
P3398

>  <Name> (1,730)
WAY-349858

>  <Synonyms> (1,730)
N/A

>  <Target> (1,730)
c-Jun N-terminal kinase

>  <Form> (1,730)
free base

>  <CAS> (1,730)
771503-50-5

>  <URL> (1,730)
N/A

$$$$
WAY-350732
csChFnd80/09132414022D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.5167   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417   -6.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -7.4417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -2.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -8.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750   -3.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667  -11.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8417  -11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2417   -8.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14 17  1  0  0  0  0
 15 14  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
  8  7  2  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,731)
1734

>  <Formula> (1,731)
C13H11BrN2O2S

>  <MolWeight> (1,731)
339.20764

>  <Cat> (1,731)
P3399

>  <Name> (1,731)
WAY-350732

>  <Synonyms> (1,731)
N/A

>  <Target> (1,731)
c-Jun N-terminal kinase

>  <Form> (1,731)
free base

>  <CAS> (1,731)
438602-71-2

>  <URL> (1,731)
N/A

$$$$
WAY-351429
csChFnd80/09132414022D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.5917   -5.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -3.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -4.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2542   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -3.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -6.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000   -7.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250   -5.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042   -5.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4917   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15  8  2  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18  5  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 23 11  1  0  0  0  0
 24 14  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 27  1  0  0  0  0
  4  5  1  0  0  0  0
 20 21  2  0  0  0  0
 24 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,732)
1735

>  <Formula> (1,732)
C21H23N3O4

>  <MolWeight> (1,732)
381.42502

>  <Cat> (1,732)
P3400

>  <Name> (1,732)
WAY-351429

>  <Synonyms> (1,732)
N/A

>  <Target> (1,732)
choline kinase

>  <Form> (1,732)
free base

>  <CAS> (1,732)
451474-95-6

>  <URL> (1,732)
N/A

$$$$
WAY-351783
csChFnd80/09132414022D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.7667   -4.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -5.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8250   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,733)
1736

>  <Formula> (1,733)
C21H21ClN4O3S

>  <MolWeight> (1,733)
444.93444

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P3401

>  <Name> (1,733)
WAY-351783

>  <Synonyms> (1,733)
N/A

>  <Target> (1,733)
creatin kinase

>  <Form> (1,733)
free base

>  <CAS> (1,733)
460994-47-2

>  <URL> (1,733)
N/A

$$$$
WAY-351812
csChFnd80/09132414022D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
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 15 14  1  0  0  0  0
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 19  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,734)
1737

>  <Formula> (1,734)
C15H14F3N3O3S

>  <MolWeight> (1,734)
373.3501696

>  <Cat> (1,734)
P3402

>  <Name> (1,734)
WAY-351812

>  <Synonyms> (1,734)
N/A

>  <Target> (1,734)
CDK8

>  <Form> (1,734)
free base

>  <CAS> (1,734)
471289-61-9

>  <URL> (1,734)
N/A

$$$$
WAY-352098
csChFnd80/09132414022D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 16  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,735)
1738

>  <Formula> (1,735)
C17H12F3N5O2S

>  <MolWeight> (1,735)
407.3696896

>  <Cat> (1,735)
P3403

>  <Name> (1,735)
WAY-352098

>  <Synonyms> (1,735)
N/A

>  <Target> (1,735)
PDK1,CRTH2

>  <Form> (1,735)
free base

>  <CAS> (1,735)
482643-39-0

>  <URL> (1,735)
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> (1,736)
1739

>  <Formula> (1,736)
C14H10ClN3OS

>  <MolWeight> (1,736)
303.7667

>  <Cat> (1,736)
P3404

>  <Name> (1,736)
WAY-352753

>  <Synonyms> (1,736)
N/A

>  <Target> (1,736)
GSK-3

>  <Form> (1,736)
free base

>  <CAS> (1,736)
478482-74-5

>  <URL> (1,736)
N/A

$$$$
WAY-353591
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 17  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,737)
1740

>  <Formula> (1,737)
C16H12FN3S

>  <MolWeight> (1,737)
297.3499832

>  <Cat> (1,737)
P3406

>  <Name> (1,737)
WAY-353591

>  <Synonyms> (1,737)
N/A

>  <Target> (1,737)
Casein kinase 1d

>  <Form> (1,737)
free base

>  <CAS> (1,737)
454427-09-9

>  <URL> (1,737)
N/A

$$$$
WAY-353890
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,738)
1741

>  <Formula> (1,738)
C17H13FN4O

>  <MolWeight> (1,738)
308.3097232

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P3407

>  <Name> (1,738)
WAY-353890

>  <Synonyms> (1,738)
N/A

>  <Target> (1,738)
FGFR1

>  <Form> (1,738)
free base

>  <CAS> (1,738)
459137-97-4

>  <URL> (1,738)
N/A

$$$$
WAY-354189
csChFnd80/09132414022D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,739)
1742

>  <Formula> (1,739)
C15H12Cl2N2O4S

>  <MolWeight> (1,739)
387.23778

>  <Cat> (1,739)
P3408

>  <Name> (1,739)
WAY-354189

>  <Synonyms> (1,739)
N/A

>  <Target> (1,739)
JAK-STAT

>  <Form> (1,739)
free base

>  <CAS> (1,739)
850019-35-1

>  <URL> (1,739)
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> (1,740)
1743

>  <Formula> (1,740)
C16H15N3OS

>  <MolWeight> (1,740)
297.3748

>  <Cat> (1,740)
P3405

>  <Name> (1,740)
WAY-352835

>  <Synonyms> (1,740)
N/A

>  <Target> (1,740)
tyrosine kinase

>  <Form> (1,740)
free base

>  <CAS> (1,740)
401638-52-6

>  <URL> (1,740)
N/A

$$$$
WAY-354890
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,741)
1744

>  <Formula> (1,741)
C17H16FN3S

>  <MolWeight> (1,741)
313.3924432

>  <Cat> (1,741)
P3410

>  <Name> (1,741)
WAY-354890

>  <Synonyms> (1,741)
N/A

>  <Target> (1,741)
EGFR 

>  <Form> (1,741)
free base

>  <CAS> (1,741)
852407-49-9

>  <URL> (1,741)
N/A

$$$$
WAY-355772
csChFnd80/09132414022D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,742)
1745

>  <Formula> (1,742)
C19H13F3N2O4S

>  <MolWeight> (1,742)
422.3777296

>  <Cat> (1,742)
P3411

>  <Name> (1,742)
WAY-355772

>  <Synonyms> (1,742)
N/A

>  <Target> (1,742)
serine/threonine kinase

>  <Form> (1,742)
free base

>  <CAS> (1,742)
442658-33-5

>  <URL> (1,742)
N/A

$$$$
WAY-357919
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,743)
1746

>  <Formula> (1,743)
C18H16N2O2S

>  <MolWeight> (1,743)
324.39684

>  <Cat> (1,743)
P3412

>  <Name> (1,743)
WAY-357919

>  <Synonyms> (1,743)
N/A

>  <Target> (1,743)
VEGFR

>  <Form> (1,743)
free base

>  <CAS> (1,743)
298207-77-9

>  <URL> (1,743)
N/A

$$$$
WAY-358024
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,744)
1747

>  <Formula> (1,744)
C15H11N3O3

>  <MolWeight> (1,744)
281.26614

>  <Cat> (1,744)
P3413

>  <Name> (1,744)
WAY-358024

>  <Synonyms> (1,744)
N/A

>  <Target> (1,744)
GSK-3b

>  <Form> (1,744)
free base

>  <CAS> (1,744)
70169-39-0

>  <URL> (1,744)
N/A

$$$$
WAY-358667-A
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,745)
1748

>  <Formula> (1,745)
C12H8N2S2

>  <MolWeight> (1,745)
244.33532

>  <Cat> (1,745)
P3414

>  <Name> (1,745)
WAY-358667-A

>  <Synonyms> (1,745)
N/A

>  <Target> (1,745)
Human protein kinase CK2

>  <Form> (1,745)
free base

>  <CAS> (1,745)
182198-89-6

>  <URL> (1,745)
N/A

$$$$
WAY-358981
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,746)
1749

>  <Formula> (1,746)
C14H12N4O

>  <MolWeight> (1,746)
252.27128

>  <Cat> (1,746)
P3415

>  <Name> (1,746)
WAY-358981

>  <Synonyms> (1,746)
N/A

>  <Target> (1,746)
sphingosine kinase

>  <Form> (1,746)
free base

>  <CAS> (1,746)
307322-32-3

>  <URL> (1,746)
N/A

$$$$
WAY-359594
csChFnd80/09132414022D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,747)
1750

>  <Formula> (1,747)
C23H21N3O2

>  <MolWeight> (1,747)
371.43174

>  <Cat> (1,747)
P3416

>  <Name> (1,747)
WAY-359594

>  <Synonyms> (1,747)
N/A

>  <Target> (1,747)
G protein coupled receptor 6 kinase

>  <Form> (1,747)
free base

>  <CAS> (1,747)
33495-39-5

>  <URL> (1,747)
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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M  END
>  <Mol_ID> (1,749)
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>  <Synonyms> (1,749)
N/A

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 GSK-3b

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free base

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571904-77-3

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N/A

$$$$
WAY-311972
csChFnd80/09132414022D

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M  END
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>  <Formula> (1,750)
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WAY-311972

>  <Synonyms> (1,750)
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>  <Target> (1,750)
ATP-kinases

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free base

>  <CAS> (1,750)
606948-76-9

>  <URL> (1,750)
N/A

$$$$
WAY-113178
csChFnd80/09132414022D

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>  <Mol_ID> (1,751)
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>  <Synonyms> (1,751)
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IkB kinase-beta 

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free base

>  <CAS> (1,751)
638999-98-1

>  <URL> (1,751)
N/A

$$$$
WAY-225588
csChFnd80/09132414022D

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>  <Mol_ID> (1,752)
1755

>  <Formula> (1,752)
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>  <MolWeight> (1,752)
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>  <Cat> (1,752)
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>  <Name> (1,752)
WAY-225588

>  <Synonyms> (1,752)
N/A

>  <Target> (1,752)
GRK6

>  <Form> (1,752)
free base

>  <CAS> (1,752)
6765-52-2

>  <URL> (1,752)
N/A

$$$$
WAY-312602
csChFnd80/09132414022D

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 10 18  3  0  0  0  0
 14 19  1  0  0  0  0
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  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,753)
1756

>  <Formula> (1,753)
C17H17N5O3

>  <MolWeight> (1,753)
339.34858

>  <Cat> (1,753)
P3318

>  <Name> (1,753)
WAY-312602

>  <Synonyms> (1,753)
N/A

>  <Target> (1,753)
maternal embryonic leucine zipper kinase

>  <Form> (1,753)
free base

>  <CAS> (1,753)
681266-13-7

>  <URL> (1,753)
N/A

$$$$
WAY-344977
csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15 18  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
 19  4  2  0  0  0  0
 20  5  2  0  0  0  0
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 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,754)
1757

>  <Formula> (1,754)
C17H17ClN4O2S

>  <MolWeight> (1,754)
376.86048

>  <Cat> (1,754)
P3389

>  <Name> (1,754)
WAY-344977

>  <Synonyms> (1,754)
N/A

>  <Target> (1,754)
GSK-3

>  <Form> (1,754)
free base

>  <CAS> (1,754)
686743-57-7

>  <URL> (1,754)
N/A

$$$$
WAY-310507
csChFnd80/09132414022D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,755)
1758

>  <Formula> (1,755)
C11H10N4O2S

>  <MolWeight> (1,755)
262.2877

>  <Cat> (1,755)
P3311

>  <Name> (1,755)
WAY-310507

>  <Synonyms> (1,755)
N/A

>  <Target> (1,755)
Anti-infection

>  <Form> (1,755)
free base

>  <CAS> (1,755)
686743-93-1

>  <URL> (1,755)
N/A

$$$$
WAY-310944
csChFnd80/09132414022D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,756)
1759

>  <Formula> (1,756)
C11H10N2O2S2

>  <MolWeight> (1,756)
266.3393

>  <Cat> (1,756)
P3313

>  <Name> (1,756)
WAY-310944

>  <Synonyms> (1,756)
N/A

>  <Target> (1,756)
Anti-infection

>  <Form> (1,756)
free base

>  <CAS> (1,756)
688335-53-7

>  <URL> (1,756)
N/A

$$$$
WAY-310334
csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,757)
1760

>  <Formula> (1,757)
C14H16N2O2S2

>  <MolWeight> (1,757)
308.41904

>  <Cat> (1,757)
P3310

>  <Name> (1,757)
WAY-310334

>  <Synonyms> (1,757)
N/A

>  <Target> (1,757)
mPGES-1,human protein kinase CK2

>  <Form> (1,757)
free base

>  <CAS> (1,757)
688335-72-0

>  <URL> (1,757)
N/A

$$$$
WAY-310819
csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
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N/A

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B-Raf

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free base

>  <CAS> (1,758)
326918-98-3

>  <URL> (1,758)
N/A

$$$$
CL-59089
csChFnd80/09132414022D

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>  <Synonyms> (1,759)
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>  <Target> (1,759)
sirtuin,Rho,CDK

>  <Form> (1,759)
free base

>  <CAS> (1,759)
3008-61-5

>  <URL> (1,759)
N/A

$$$$
WAY-616312
csChFnd80/09132414022D

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>  <Mol_ID> (1,760)
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>  <Name> (1,760)
WAY-616312

>  <Synonyms> (1,760)
N/A

>  <Target> (1,760)
sirtuin,Rho,CDK

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free base

>  <CAS> (1,760)
730946-98-2

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N/A

$$$$
WAY-624687
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,761)
1764

>  <Formula> (1,761)
C13H9N5S2

>  <MolWeight> (1,761)
299.37406

>  <Cat> (1,761)
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>  <Name> (1,761)
WAY-624687

>  <Synonyms> (1,761)
N/A

>  <Target> (1,761)
GSK3

>  <Form> (1,761)
free base

>  <CAS> (1,761)
753473-65-3

>  <URL> (1,761)
N/A

$$$$
WAY-333883
csChFnd80/09132414022D

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>  <Mol_ID> (1,762)
1765

>  <Formula> (1,762)
C16H16Cl2N4O

>  <MolWeight> (1,762)
351.23044

>  <Cat> (1,762)
P3382

>  <Name> (1,762)
WAY-333883

>  <Synonyms> (1,762)
N/A

>  <Target> (1,762)
pyruvate kinase

>  <Form> (1,762)
free base

>  <CAS> (1,762)
863448-35-5

>  <URL> (1,762)
N/A

$$$$
WAY-333875
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,763)
1766

>  <Formula> (1,763)
C16H16ClFN4O

>  <MolWeight> (1,763)
334.7758432

>  <Cat> (1,763)
P3380

>  <Name> (1,763)
WAY-333875

>  <Synonyms> (1,763)
N/A

>  <Target> (1,763)
pyruvate kinase

>  <Form> (1,763)
free base

>  <CAS> (1,763)
863448-22-0

>  <URL> (1,763)
N/A

$$$$
WAY-333878
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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N/A

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pyruvate kinase

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free base

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863448-25-3

>  <URL> (1,764)
N/A

$$$$
WAY-329412
csChFnd80/09132414022D

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>  <Cat> (1,765)
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>  <Name> (1,765)
WAY-329412

>  <Synonyms> (1,765)
N/A

>  <Target> (1,765)
Abl

>  <Form> (1,765)
free base

>  <CAS> (1,765)
943932-69-2

>  <URL> (1,765)
N/A

$$$$
WAY-329689
csChFnd80/09132414022D

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1769

>  <Formula> (1,766)
C29H29N3O4

>  <MolWeight> (1,766)
483.55826

>  <Cat> (1,766)
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>  <Name> (1,766)
WAY-329689

>  <Synonyms> (1,766)
N/A

>  <Target> (1,766)
Abl

>  <Form> (1,766)
free base

>  <CAS> (1,766)
943934-76-7

>  <URL> (1,766)
N/A

$$$$
WAY-329424
csChFnd80/09132414022D

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>  <Formula> (1,767)
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>  <MolWeight> (1,767)
405.48948

>  <Cat> (1,767)
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>  <Name> (1,767)
WAY-329424

>  <Synonyms> (1,767)
N/A

>  <Target> (1,767)
Abl

>  <Form> (1,767)
free base

>  <CAS> (1,767)
943933-52-6

>  <URL> (1,767)
N/A

$$$$
WAY-329686
csChFnd80/09132414022D

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>  <Synonyms> (1,768)
N/A

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Abl

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free base

>  <CAS> (1,768)
943934-31-4

>  <URL> (1,768)
N/A

$$$$
WAY-329410
csChFnd80/09132414022D

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>  <Synonyms> (1,769)
N/A

>  <Target> (1,769)
Abl

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free base

>  <CAS> (1,769)
943932-62-5

>  <URL> (1,769)
N/A

$$$$
WAY-329685
csChFnd80/09132414022D

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>  <Cat> (1,770)
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>  <Name> (1,770)
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>  <Synonyms> (1,770)
N/A

>  <Target> (1,770)
Abl

>  <Form> (1,770)
free base

>  <CAS> (1,770)
943934-25-6

>  <URL> (1,770)
N/A

$$$$
WAY-329423
csChFnd80/09132414022D

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>  <Synonyms> (1,771)
N/A

>  <Target> (1,771)
Abl

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WAY-329341
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N/A

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WAY-329340
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WAY-641918
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400.46966

>  <Cat> (1,775)
P3498

>  <Name> (1,775)
WAY-641918

>  <Synonyms> (1,775)
N/A

>  <Target> (1,775)
TAO kinase

>  <Form> (1,775)
free base

>  <CAS> (1,775)
850467-77-5

>  <URL> (1,775)
N/A

$$$$
WAY-278459-A
csChFnd80/09132414022D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  5  3  1  0  0  0  0
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  9  6  2  0  0  0  0
 10 11  2  0  0  0  0
 11  9  1  0  0  0  0
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 14 10  1  0  0  0  0
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  5  4  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,776)
1779

>  <Formula> (1,776)
C11H12N2OS

>  <MolWeight> (1,776)
220.29078

>  <Cat> (1,776)
P3291

>  <Name> (1,776)
WAY-278459-A

>  <Synonyms> (1,776)
N/A

>  <Target> (1,776)
Plasmodium falciparum Apical Membrane Antige

>  <Form> (1,776)
free base

>  <CAS> (1,776)
105512-88-7

>  <URL> (1,776)
N/A

$$$$
WAY-643895
csChFnd80/09132414022D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  5  2  1  0  0  0  0
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  7  5  3  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
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 11 10  2  0  0  0  0
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 15 16  1  0  0  0  0
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  8  9  2  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,777)
1780

>  <Formula> (1,777)
C11H7N3OS

>  <MolWeight> (1,777)
229.25778

>  <Cat> (1,777)
P3503

>  <Name> (1,777)
WAY-643895

>  <Synonyms> (1,777)
N/A

>  <Target> (1,777)
Casein kinase 1¦Ä

>  <Form> (1,777)
free base

>  <CAS> (1,777)
851871-94-8

>  <URL> (1,777)
N/A

$$$$
WAY-278559-A
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
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 20 21  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,778)
1781

>  <Formula> (1,778)
C17H23N3O

>  <MolWeight> (1,778)
285.38402

>  <Cat> (1,778)
P3294

>  <Name> (1,778)
WAY-278559-A

>  <Synonyms> (1,778)
N/A

>  <Target> (1,778)
ethanolamine kinase

>  <Form> (1,778)
free base

>  <CAS> (1,778)
301330-81-4

>  <URL> (1,778)
N/A

$$$$
WAY-642481
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
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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
 13 17  2  0  0  0  0
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 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  2  0  0  0  0
 21 20  1  0  0  0  0
  6  4  1  0  0  0  0
 18 21  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,779)
1782

>  <Formula> (1,779)
C17H16N2OS

>  <MolWeight> (1,779)
296.38674

>  <Cat> (1,779)
P3501

>  <Name> (1,779)
WAY-642481

>  <Synonyms> (1,779)
N/A

>  <Target> (1,779)
CDK

>  <Form> (1,779)
free base

>  <CAS> (1,779)
22312-45-4

>  <URL> (1,779)
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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  6 10  1  0  0  0  0
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 10  8  2  0  0  0  0
 11  1  1  0  0  0  0
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 13 12  1  0  0  0  0
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  6  2  2  0  0  0  0
M  END
>  <Mol_ID> (1,780)
1783

>  <Formula> (1,780)
C11H14N2O2

>  <MolWeight> (1,780)
206.24106

>  <Cat> (1,780)
P3502

>  <Name> (1,780)
WAY-643632-A

>  <Synonyms> (1,780)
N/A

>  <Target> (1,780)
SRC kinase,TTX-S channel

>  <Form> (1,780)
free base

>  <CAS> (1,780)
500356-88-7

>  <URL> (1,780)
N/A

$$$$
WAY-642424
csChFnd80/09132414022D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
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  3  5  1  0  0  0  0
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 16 24  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,781)
1784

>  <Formula> (1,781)
C19H14FN5OS

>  <MolWeight> (1,781)
379.4107632

>  <Cat> (1,781)
P3500

>  <Name> (1,781)
WAY-642424

>  <Synonyms> (1,781)
N/A

>  <Target> (1,781)
Casein kinase 1¦Ä

>  <Form> (1,781)
free base

>  <CAS> (1,781)
851396-73-1

>  <URL> (1,781)
N/A

$$$$
WAY-333939
csChFnd80/09132414022D

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 21 14  1  0  0  0  0
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 20 18  2  0  0  0  0
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M  END
>  <Mol_ID> (1,782)
1785

>  <Formula> (1,782)
C19H21N5O2

>  <MolWeight> (1,782)
351.40234

>  <Cat> (1,782)
P3384

>  <Name> (1,782)
WAY-333939

>  <Synonyms> (1,782)
N/A

>  <Target> (1,782)
Anti-infection

>  <Form> (1,782)
free base

>  <CAS> (1,782)
689268-14-2

>  <URL> (1,782)
N/A

$$$$
WAY-333908
csChFnd80/09132414022D

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 10  5  1  0  0  0  0
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 12  3  1  0  0  0  0
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 14 10  2  0  0  0  0
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 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 22  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
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M  END
>  <Mol_ID> (1,783)
1786

>  <Formula> (1,783)
C17H12N6O2

>  <MolWeight> (1,783)
332.31618

>  <Cat> (1,783)
P3383

>  <Name> (1,783)
WAY-333908

>  <Synonyms> (1,783)
N/A

>  <Target> (1,783)
others

>  <Form> (1,783)
free base

>  <CAS> (1,783)
689269-24-7

>  <URL> (1,783)
N/A

$$$$
WAY-333945
csChFnd80/09132414022D

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  6  1  1  0  0  0  0
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 10  5  1  0  0  0  0
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 14  4  2  0  0  0  0
 15 11  2  0  0  0  0
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 17 10  2  0  0  0  0
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  4  3  1  0  0  0  0
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 16 18  2  0  0  0  0
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M  END
>  <Mol_ID> (1,784)
1787

>  <Formula> (1,784)
C17H13N5O2S

>  <MolWeight> (1,784)
351.38242

>  <Cat> (1,784)
P3385

>  <Name> (1,784)
WAY-333945

>  <Synonyms> (1,784)
N/A

>  <Target> (1,784)
Anti-infection

>  <Form> (1,784)
free base

>  <CAS> (1,784)
689273-45-8

>  <URL> (1,784)
N/A

$$$$
WAY-616584
csChFnd80/09132414022D

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 10 11  1  0  0  0  0
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 12  8  1  0  0  0  0
 13 18  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16 13  1  0  0  0  0
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 20  5  1  0  0  0  0
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 22 21  1  0  0  0  0
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 10 13  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,785)
1788

>  <Formula> (1,785)
C16H13N3O2S

>  <MolWeight> (1,785)
311.35832

>  <Cat> (1,785)
P3455

>  <Name> (1,785)
WAY-616584

>  <Synonyms> (1,785)
N/A

>  <Target> (1,785)
Casein kinase 1¦Ä

>  <Form> (1,785)
free base

>  <CAS> (1,785)
695223-53-1

>  <URL> (1,785)
N/A

$$$$
WAY-625530
csChFnd80/09132414022D

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>  <Mol_ID> (1,786)
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>  <Name> (1,786)
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>  <Synonyms> (1,786)
N/A

>  <Target> (1,786)
FGFR1

>  <Form> (1,786)
free base

>  <CAS> (1,786)
956782-57-3

>  <URL> (1,786)
N/A

$$$$
WAY-625741
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,787)
1790

>  <Formula> (1,787)
C16H13N3O4S

>  <MolWeight> (1,787)
343.35712

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P3467

>  <Name> (1,787)
WAY-625741

>  <Synonyms> (1,787)
N/A

>  <Target> (1,787)
Casein kinase 1d

>  <Form> (1,787)
free base

>  <CAS> (1,787)
756857-71-3

>  <URL> (1,787)
N/A

$$$$
WAY-626116
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,788)
1791

>  <Formula> (1,788)
C20H14FN3O4S2

>  <MolWeight> (1,788)
443.4712632

>  <Cat> (1,788)
P3468

>  <Name> (1,788)
WAY-626116

>  <Synonyms> (1,788)
N/A

>  <Target> (1,788)
Casein kinase 1d

>  <Form> (1,788)
free base

>  <CAS> (1,788)
753468-25-6

>  <URL> (1,788)
N/A

$$$$
WAY-273170
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,789)
1792

>  <Formula> (1,789)
C19H13ClN4O2S

>  <MolWeight> (1,789)
396.85012

>  <Cat> (1,789)
P3289

>  <Name> (1,789)
WAY-273170

>  <Synonyms> (1,789)
N/A

>  <Target> (1,789)
Myt1

>  <Form> (1,789)
free base

>  <CAS> (1,789)
478247-52-8

>  <URL> (1,789)
N/A

$$$$
WAY-277054
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,790)
1793

>  <Formula> (1,790)
C16H11ClFN3OS2

>  <MolWeight> (1,790)
379.8594432

>  <Cat> (1,790)
P3290

>  <Name> (1,790)
WAY-277054

>  <Synonyms> (1,790)
N/A

>  <Target> (1,790)
tyrosine kinase

>  <Form> (1,790)
free base

>  <CAS> (1,790)
753467-39-9?

>  <URL> (1,790)
N/A

$$$$
WAY-336715
csChFnd80/09132414022D

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WAY-336715

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N/A

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CDK8

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free base

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451458-32-5

>  <URL> (1,791)
N/A

$$$$
WAY-337647
csChFnd80/09132414022D

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>  <Mol_ID> (1,792)
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C15H12ClNO4

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>  <Name> (1,792)
WAY-337647

>  <Synonyms> (1,792)
N/A

>  <Target> (1,792)
f mitogen-activated protein kinase kinase 4

>  <Form> (1,792)
free base

>  <CAS> (1,792)
1402605-80-4

>  <URL> (1,792)
N/A

$$$$
WAY-612453
csChFnd80/09132414022D

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>  <Mol_ID> (1,793)
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>  <Name> (1,793)
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>  <Synonyms> (1,793)
N/A

>  <Target> (1,793)
Anti-infection

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free base

>  <CAS> (1,793)
300809-10-3

>  <URL> (1,793)
N/A

$$$$
WAY-612622
csChFnd80/09132414022D

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>  <Formula> (1,794)
C16H11FN2O2

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WAY-612622

>  <Synonyms> (1,794)
N/A

>  <Target> (1,794)
CDK

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free base

>  <CAS> (1,794)
288401-60-5

>  <URL> (1,794)
N/A

$$$$
WAY-612698
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,795)
1798

>  <Formula> (1,795)
C17H19NO4S

>  <MolWeight> (1,795)
333.40206

>  <Cat> (1,795)
P3448

>  <Name> (1,795)
WAY-612698

>  <Synonyms> (1,795)
N/A

>  <Target> (1,795)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,795)
free base

>  <CAS> (1,795)
565191-45-9

>  <URL> (1,795)
N/A

$$$$
WAY-630308
csChFnd80/09132414022D

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M  END
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>  <Name> (1,796)
WAY-630308

>  <Synonyms> (1,796)
N/A

>  <Target> (1,796)
Casein kinase 1¦Ä

>  <Form> (1,796)
free base

>  <CAS> (1,796)
326034-30-4

>  <URL> (1,796)
N/A

$$$$
WAY-630363
csChFnd80/09132414022D

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>  <Mol_ID> (1,797)
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>  <Formula> (1,797)
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>  <Name> (1,797)
WAY-630363

>  <Synonyms> (1,797)
N/A

>  <Target> (1,797)
Casein kinase 1¦Ä

>  <Form> (1,797)
free base

>  <CAS> (1,797)
729579-66-2

>  <URL> (1,797)
N/A

$$$$
WAY-647361
csChFnd80/09132414022D

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>  <Formula> (1,798)
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>  <Synonyms> (1,798)
N/A

>  <Target> (1,798)
 PI3K

>  <Form> (1,798)
free base

>  <CAS> (1,798)
852399-94-1

>  <URL> (1,798)
N/A

$$$$
WAY-647636
csChFnd80/09132414022D

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>  <Mol_ID> (1,799)
1802

>  <Formula> (1,799)
C23H18N4O3S

>  <MolWeight> (1,799)
430.47902

>  <Cat> (1,799)
P3505

>  <Name> (1,799)
WAY-647636

>  <Synonyms> (1,799)
N/A

>  <Target> (1,799)
Casein kinase 1¦Ä

>  <Form> (1,799)
free base

>  <CAS> (1,799)
556055-08-4

>  <URL> (1,799)
N/A

$$$$
WAY-647729
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,800)
1803

>  <Formula> (1,800)
C16H11N3OS

>  <MolWeight> (1,800)
293.34304

>  <Cat> (1,800)
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>  <Name> (1,800)
WAY-647729

>  <Synonyms> (1,800)
N/A

>  <Target> (1,800)
CDK

>  <Form> (1,800)
free base

>  <CAS> (1,800)
852678-17-2

>  <URL> (1,800)
N/A

$$$$
WAY-647766
csChFnd80/09132414022D

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Casein kinase 1¦Ä

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free base

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851168-98-4

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N/A

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WAY-647802
csChFnd80/09132414022D

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EGFR,CDK4 and 6

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free base

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852225-20-8

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N/A

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WAY-648936
csChFnd80/09132414022D

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>  <Synonyms> (1,803)
N/A

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CDK

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free base

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796888-73-8

>  <URL> (1,803)
N/A

$$$$
WAY-649123
csChFnd80/09132414022D

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>  <MolWeight> (1,804)
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WAY-649123

>  <Synonyms> (1,804)
N/A

>  <Target> (1,804)
TGF-¦Â,p38-a

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free base

>  <CAS> (1,804)
801244-46-2

>  <URL> (1,804)
N/A

$$$$
WL-300778
csChFnd80/09132414022D

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free base

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802980-14-9

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N/A

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WAY-313218
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>  <Name> (1,806)
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>  <Synonyms> (1,806)
N/A

>  <Target> (1,806)
11¦Â-HSD1 

>  <Form> (1,806)
free base

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260428-69-1

>  <URL> (1,806)
N/A

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WAY-313013
csChFnd80/09132414022D

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  8 10  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,807)
1810

>  <Formula> (1,807)
C12H14BrNO2

>  <MolWeight> (1,807)
284.14906

>  <Cat> (1,807)
P3319

>  <Name> (1,807)
WAY-313013

>  <Synonyms> (1,807)
N/A

>  <Target> (1,807)
p38,histamine-3 (H3) receptor

>  <Form> (1,807)
free base

>  <CAS> (1,807)
326898-76-4

>  <URL> (1,807)
N/A

$$$$
GI-560708
csChFnd80/09132414022D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,808)
1811

>  <Formula> (1,808)
C20H18N4O2

>  <MolWeight> (1,808)
346.38252

>  <Cat> (1,808)
P3258

>  <Name> (1,808)
GI-560708

>  <Synonyms> (1,808)
N/A

>  <Target> (1,808)
BCR-ABL 

>  <Form> (1,808)
free base

>  <CAS> (1,808)
2362-25-6

>  <URL> (1,808)
N/A

$$$$
WAY-345438
csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
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 12  8  2  0  0  0  0
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 15  7  1  0  0  0  0
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 17  5  1  0  0  0  0
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 29 25  2  0  0  0  0
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M  END
>  <Mol_ID> (1,809)
1812

>  <Formula> (1,809)
C24H19N3O2S

>  <MolWeight> (1,809)
413.49156

>  <Cat> (1,809)
P3390

>  <Name> (1,809)
WAY-345438

>  <Synonyms> (1,809)
N/A

>  <Target> (1,809)
Casein kinase 1¦Ä

>  <Form> (1,809)
free base

>  <CAS> (1,809)
571174-12-4

>  <URL> (1,809)
N/A

$$$$
WAY-311066
csChFnd80/09132414022D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,810)
1813

>  <Formula> (1,810)
C21H17N3O3

>  <MolWeight> (1,810)
359.37798

>  <Cat> (1,810)
P3314

>  <Name> (1,810)
WAY-311066

>  <Synonyms> (1,810)
N/A

>  <Target> (1,810)
Casein kinase 1¦Ä

>  <Form> (1,810)
free base

>  <CAS> (1,810)
332074-85-8

>  <URL> (1,810)
N/A

$$$$
WAY-312567
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,811)
1814

>  <Formula> (1,811)
C16H20N2O2S

>  <MolWeight> (1,811)
304.4072

>  <Cat> (1,811)
P3317

>  <Name> (1,811)
WAY-312567

>  <Synonyms> (1,811)
N/A

>  <Target> (1,811)
Anti-infection

>  <Form> (1,811)
free base

>  <CAS> (1,811)
330955-59-4

>  <URL> (1,811)
N/A

$$$$
WAY-312157
csChFnd80/09132414022D

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 16 19  1  0  0  0  0
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  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,812)
1815

>  <Formula> (1,812)
C14H18N2O2S

>  <MolWeight> (1,812)
278.36992

>  <Cat> (1,812)
P3316

>  <Name> (1,812)
WAY-312157

>  <Synonyms> (1,812)
N/A

>  <Target> (1,812)
ATP-utilizing enzyme

>  <Form> (1,812)
free base

>  <CAS> (1,812)
354544-70-0

>  <URL> (1,812)
N/A

$$$$
WAY-114228
csChFnd80/09132414022D

 23 25  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 10  1  0  0  0  0
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 15  9  1  0  0  0  0
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 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> (1,813)
1816

>  <Formula> (1,813)
C21H23NO

>  <MolWeight> (1,813)
305.41342

>  <Cat> (1,813)
P3264

>  <Name> (1,813)
WAY-114228

>  <Synonyms> (1,813)
N/A

>  <Target> (1,813)
MEK1

>  <Form> (1,813)
free base

>  <CAS> (1,813)
333325-96-5

>  <URL> (1,813)
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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  1  2  2  0  0  0  0
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  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,814)
1817

>  <Formula> (1,814)
C10H11N3OS

>  <MolWeight> (1,814)
221.27884

>  <Cat> (1,814)
P3270

>  <Name> (1,814)
WAY-248134

>  <Synonyms> (1,814)
N/A

>  <Target> (1,814)
LIMK1£¬IKK¦Â

>  <Form> (1,814)
free base

>  <CAS> (1,814)
67795-42-0

>  <URL> (1,814)
N/A

$$$$
WAY-296818
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
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 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,815)
1818

>  <Formula> (1,815)
C17H16N2O2S

>  <MolWeight> (1,815)
312.38614

>  <Cat> (1,815)
P3297

>  <Name> (1,815)
WAY-296818

>  <Synonyms> (1,815)
N/A

>  <Target> (1,815)
casein kinase 1

>  <Form> (1,815)
free base

>  <CAS> (1,815)
349438-77-3

>  <URL> (1,815)
N/A

$$$$
WAY-271146
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  3  0  0  0  0
  9  5  1  0  0  0  0
 10 19  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17 11  1  0  0  0  0
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 20  9  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
  5  4  2  0  0  0  0
 20 15  1  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,816)
1819

>  <Formula> (1,816)
C16H9N3O3

>  <MolWeight> (1,816)
291.26096

>  <Cat> (1,816)
P3280

>  <Name> (1,816)
WAY-271146

>  <Synonyms> (1,816)
N/A

>  <Target> (1,816)
VEGFR

>  <Form> (1,816)
free base

>  <CAS> (1,816)
683235-33-8

>  <URL> (1,816)
N/A

$$$$
WAY-271147
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,817)
1820

>  <Formula> (1,817)
C17H12N2O4

>  <MolWeight> (1,817)
308.28818

>  <Cat> (1,817)
P3281

>  <Name> (1,817)
WAY-271147

>  <Synonyms> (1,817)
N/A

>  <Target> (1,817)
VEGFR

>  <Form> (1,817)
free base

>  <CAS> (1,817)
683235-34-9

>  <URL> (1,817)
N/A

$$$$
WAY-600632
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
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  9 16  1  0  0  0  0
 11 17  2  0  0  0  0
 13 18  1  0  0  0  0
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 16 21  1  0  0  0  0
 12 17  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,818)
1821

>  <Formula> (1,818)
C14H9N3O2S2

>  <MolWeight> (1,818)
315.37016

>  <Cat> (1,818)
P3423

>  <Name> (1,818)
WAY-600632

>  <Synonyms> (1,818)
N/A

>  <Target> (1,818)
Casein kinase 1¦Ä

>  <Form> (1,818)
free base

>  <CAS> (1,818)
438018-70-3

>  <URL> (1,818)
N/A

$$$$
WAY-601258
csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.0083    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
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  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11 13  1  0  0  0  0
 12 11  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  2  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
  7  8  1  0  0  0  0
  6  5  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,819)
1822

>  <Formula> (1,819)
C13H12N4OS2

>  <MolWeight> (1,819)
304.39058

>  <Cat> (1,819)
P3428

>  <Name> (1,819)
WAY-601258

>  <Synonyms> (1,819)
N/A

>  <Target> (1,819)
Anti-infection

>  <Form> (1,819)
free base

>  <CAS> (1,819)
496023-52-0

>  <URL> (1,819)
N/A

$$$$
WAY-601323
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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   -3.5083   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  2  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  2  0  0  0  0
 10  4  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  2  0  0  0  0
 13  7  1  0  0  0  0
 14  3  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 21  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
  9 12  1  0  0  0  0
 22 20  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,820)
1823

>  <Formula> (1,820)
C16H18N4O2

>  <MolWeight> (1,820)
298.33972

>  <Cat> (1,820)
P3429

>  <Name> (1,820)
WAY-601323

>  <Synonyms> (1,820)
N/A

>  <Target> (1,820)
CDK9 

>  <Form> (1,820)
free base

>  <CAS> (1,820)
324778-48-5

>  <URL> (1,820)
N/A

$$$$
WAY-600704-A
csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
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   -0.0664    1.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
  1  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  2  0  0  0  0
  9 11  2  0  0  0  0
 12  4  1  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
  6  5  2  0  0  0  0
 20 19  1  0  0  0  0
 11 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
M  END
>  <Mol_ID> (1,821)
1824

>  <Formula> (1,821)
C17H22N2O

>  <MolWeight> (1,821)
270.36938

>  <Cat> (1,821)
P3424

>  <Name> (1,821)
WAY-600704

>  <Synonyms> (1,821)
N/A

>  <Target> (1,821)
ethanolamine kinase

>  <Form> (1,821)
free base

>  <CAS> (1,821)
301330-94-9

>  <URL> (1,821)
N/A

$$$$
WAY-600868
csChFnd80/09132414022D

 17 19  0  0  0  0  0  0  0  0999 V2000
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    4.6211    1.2730    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  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
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,822)
1825

>  <Formula> (1,822)
C13H9FN2S

>  <MolWeight> (1,822)
244.2873632

>  <Cat> (1,822)
P3425

>  <Name> (1,822)
WAY-600868

>  <Synonyms> (1,822)
N/A

>  <Target> (1,822)
FGFR3

>  <Form> (1,822)
free base

>  <CAS> (1,822)
348-45-8

>  <URL> (1,822)
N/A

$$$$
CL-104773
csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.7593   -0.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  5  9  2  0  0  0  0
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 16 18  2  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> (1,823)
1826

>  <Formula> (1,823)
C17H14N2O

>  <MolWeight> (1,823)
262.30586

>  <Cat> (1,823)
P3253

>  <Name> (1,823)
CL-104773

>  <Synonyms> (1,823)
N/A

>  <Target> (1,823)
TLR, JAK2, fatty acid amide hydrolase

>  <Form> (1,823)
free base

>  <CAS> (1,823)
802980-92-3

>  <URL> (1,823)
N/A

$$$$
WAY-269040
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,824)
1827

>  <Formula> (1,824)
C20H23N3OS

>  <MolWeight> (1,824)
353.48112

>  <Cat> (1,824)
P3271

>  <Name> (1,824)
WAY-269040

>  <Synonyms> (1,824)
N/A

>  <Target> (1,824)
Anti-infection

>  <Form> (1,824)
free base

>  <CAS> (1,824)
846065-09-6

>  <URL> (1,824)
N/A

$$$$
WAY-339696
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,825)
1828

>  <Formula> (1,825)
C16H11BrN2O3

>  <MolWeight> (1,825)
359.17414

>  <Cat> (1,825)
P3388

>  <Name> (1,825)
WAY-339696

>  <Synonyms> (1,825)
N/A

>  <Target> (1,825)
 EGFR-T790M/L858R

>  <Form> (1,825)
free base

>  <CAS> (1,825)
333419-97-9

>  <URL> (1,825)
N/A

$$$$
WAY-349290
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,826)
1829

>  <Formula> (1,826)
C12H7ClN2OS

>  <MolWeight> (1,826)
262.71478

>  <Cat> (1,826)
P3396

>  <Name> (1,826)
WAY-349290

>  <Synonyms> (1,826)
N/A

>  <Target> (1,826)
Pim,MCH receptor

>  <Form> (1,826)
free base

>  <CAS> (1,826)
215928-66-8

>  <URL> (1,826)
N/A

$$$$
WAY-613473
csChFnd80/09132414022D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,827)
1830

>  <Formula> (1,827)
C20H16N4O3S

>  <MolWeight> (1,827)
392.43104

>  <Cat> (1,827)
P3450

>  <Name> (1,827)
WAY-613473

>  <Synonyms> (1,827)
N/A

>  <Target> (1,827)
HIV,JAK-2,PI3K

>  <Form> (1,827)
free base

>  <CAS> (1,827)
301357-74-4

>  <URL> (1,827)
N/A

$$$$
WAY-613991
csChFnd80/09132414022D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
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WAY-613991

>  <Synonyms> (1,828)
N/A

>  <Target> (1,828)
Casein kinase 1d

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free base

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565167-37-5

>  <URL> (1,828)
N/A

$$$$
WAY-630998
csChFnd80/09132414022D

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>  <Mol_ID> (1,829)
1832

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346.42558

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WAY-630998

>  <Synonyms> (1,829)
N/A

>  <Target> (1,829)
p38a

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free base

>  <CAS> (1,829)
251106-30-6

>  <URL> (1,829)
N/A

$$$$
WAY-631127
csChFnd80/09132414022D

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1833

>  <Formula> (1,830)
C24H18ClN3O3

>  <MolWeight> (1,830)
431.87102

>  <Cat> (1,830)
P3472

>  <Name> (1,830)
WAY-631127

>  <Synonyms> (1,830)
N/A

>  <Target> (1,830)
Casein kinase 1¦Ä

>  <Form> (1,830)
free base

>  <CAS> (1,830)
756849-12-4

>  <URL> (1,830)
N/A

$$$$
WAY-631545
csChFnd80/09132414022D

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>  <Mol_ID> (1,831)
1834

>  <Formula> (1,831)
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>  <MolWeight> (1,831)
264.7058432

>  <Cat> (1,831)
P3473

>  <Name> (1,831)
WAY-631545

>  <Synonyms> (1,831)
N/A

>  <Target> (1,831)
others

>  <Form> (1,831)
free base

>  <CAS> (1,831)
681260-56-0

>  <URL> (1,831)
N/A

$$$$
WAY-632021
csChFnd80/09132414022D

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>  <Mol_ID> (1,832)
1835

>  <Formula> (1,832)
C13H10ClN3S

>  <MolWeight> (1,832)
275.7566

>  <Cat> (1,832)
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>  <Name> (1,832)
WAY-632021

>  <Synonyms> (1,832)
N/A

>  <Target> (1,832)
TIE-2,Raf,phosphodiesterase V

>  <Form> (1,832)
free base

>  <CAS> (1,832)
742094-64-0

>  <URL> (1,832)
N/A

$$$$
WAY-632323
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,833)
1836

>  <Formula> (1,833)
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>  <Name> (1,833)
WAY-632323

>  <Synonyms> (1,833)
N/A

>  <Target> (1,833)
Casein kinase 1¦Ä

>  <Form> (1,833)
free base

>  <CAS> (1,833)
782457-22-1

>  <URL> (1,833)
N/A

$$$$
WAY-650313
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,834)
1837

>  <Formula> (1,834)
C23H18FN3O

>  <MolWeight> (1,834)
371.4069232

>  <Cat> (1,834)
P3511

>  <Name> (1,834)
WAY-650313

>  <Synonyms> (1,834)
N/A

>  <Target> (1,834)
Casein kinase 1¦Ä

>  <Form> (1,834)
free base

>  <CAS> (1,834)
847772-08-1

>  <URL> (1,834)
N/A

$$$$
WAY-650886
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,835)
1838

>  <Formula> (1,835)
C19H16N4O2

>  <MolWeight> (1,835)
332.35594

>  <Cat> (1,835)
P3512

>  <Name> (1,835)
WAY-650886

>  <Synonyms> (1,835)
N/A

>  <Target> (1,835)
Casein kinase 1¦Ä

>  <Form> (1,835)
free base

>  <CAS> (1,835)
848066-61-5

>  <URL> (1,835)
N/A

$$$$
WAY-651445
csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,836)
1839

>  <Formula> (1,836)
C18H13N3O2S

>  <MolWeight> (1,836)
335.37972

>  <Cat> (1,836)
P3513

>  <Name> (1,836)
WAY-651445

>  <Synonyms> (1,836)
N/A

>  <Target> (1,836)
LIMK1£¬IkB

>  <Form> (1,836)
free base

>  <CAS> (1,836)
848289-47-4

>  <URL> (1,836)
N/A

$$$$
GI-555736
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,837)
1840

>  <Formula> (1,837)
C14H12N2

>  <MolWeight> (1,837)
208.25848

>  <Cat> (1,837)
P3257

>  <Name> (1,837)
GI-555736

>  <Synonyms> (1,837)
N/A

>  <Target> (1,837)
PDGFR

>  <Form> (1,837)
free base

>  <CAS> (1,837)
848342-16-5

>  <URL> (1,837)
N/A

$$$$
WAY-270318
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,838)
1841

>  <Formula> (1,838)
C14H14N4OS

>  <MolWeight> (1,838)
286.35216

>  <Cat> (1,838)
P3272

>  <Name> (1,838)
WAY-270318

>  <Synonyms> (1,838)
N/A

>  <Target> (1,838)
protein kinase

>  <Form> (1,838)
free base

>  <CAS> (1,838)
721964-48-3

>  <URL> (1,838)
N/A

$$$$
WAY-270329
csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,839)
1842

>  <Formula> (1,839)
C21H18FN5O2S

>  <MolWeight> (1,839)
423.4633232

>  <Cat> (1,839)
P3273

>  <Name> (1,839)
WAY-270329

>  <Synonyms> (1,839)
N/A

>  <Target> (1,839)
protein kinase

>  <Form> (1,839)
free base

>  <CAS> (1,839)
721964-51-8

>  <URL> (1,839)
N/A

$$$$
WAY-270444
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 11 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,840)
1843

>  <Formula> (1,840)
C17H16N2O3

>  <MolWeight> (1,840)
296.32054

>  <Cat> (1,840)
P3275

>  <Name> (1,840)
WAY-270444

>  <Synonyms> (1,840)
N/A

>  <Target> (1,840)
Hsp90,PDK4,PPAR

>  <Form> (1,840)
free base

>  <CAS> (1,840)
394237-61-7

>  <URL> (1,840)
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
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 10 14  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  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> (1,841)
1844

>  <Formula> (1,841)
C16H14BrN3OS2

>  <MolWeight> (1,841)
408.33586

>  <Cat> (1,841)
P3278

>  <Name> (1,841)
WAY-270966

>  <Synonyms> (1,841)
N/A

>  <Target> (1,841)
p38

>  <Form> (1,841)
free base

>  <CAS> (1,841)
421578-44-1

>  <URL> (1,841)
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> (1,842)
1845

>  <Formula> (1,842)
C16H13FN2OS2

>  <MolWeight> (1,842)
332.4156232

>  <Cat> (1,842)
P3279

>  <Name> (1,842)
WAY-270968

>  <Synonyms> (1,842)
N/A

>  <Target> (1,842)
p38

>  <Form> (1,842)
free base

>  <CAS> (1,842)
421578-46-3

>  <URL> (1,842)
N/A

$$$$
WAY-320509
csChFnd80/09132414022D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 16 20  1  0  0  0  0
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M  END
>  <Mol_ID> (1,843)
1846

>  <Formula> (1,843)
C18H17N3O2S

>  <MolWeight> (1,843)
339.41148

>  <Cat> (1,843)
P3327

>  <Name> (1,843)
WAY-320509

>  <Synonyms> (1,843)
N/A

>  <Target> (1,843)
Anti-infection,CDK8

>  <Form> (1,843)
free base

>  <CAS> (1,843)
314035-54-6

>  <URL> (1,843)
N/A

$$$$
WAY-320049
csChFnd80/09132414022D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,844)
1847

>  <Formula> (1,844)
C13H17NO3S

>  <MolWeight> (1,844)
267.34398

>  <Cat> (1,844)
P3323

>  <Name> (1,844)
WAY-320049

>  <Synonyms> (1,844)
N/A

>  <Target> (1,844)
others

>  <Form> (1,844)
free base

>  <CAS> (1,844)
298193-11-0

>  <URL> (1,844)
N/A

$$$$
WAY-320080
csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
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 18 20  1  0  0  0  0
  6  9  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,845)
1848

>  <Formula> (1,845)
C14H13N3O2S

>  <MolWeight> (1,845)
287.33692

>  <Cat> (1,845)
P3324

>  <Name> (1,845)
WAY-320080

>  <Synonyms> (1,845)
N/A

>  <Target> (1,845)
glucokinase,heat shock protein 90

>  <Form> (1,845)
free base

>  <CAS> (1,845)
349549-38-8

>  <URL> (1,845)
N/A

$$$$
WAY-320081
csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
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 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,846)
1849

>  <Formula> (1,846)
C14H13N3O2S

>  <MolWeight> (1,846)
287.33692

>  <Cat> (1,846)
P3325

>  <Name> (1,846)
WAY-320081

>  <Synonyms> (1,846)
N/A

>  <Target> (1,846)
glucokinase,heat shock protein 90

>  <Form> (1,846)
free base

>  <CAS> (1,846)
66780-67-4

>  <URL> (1,846)
N/A

$$$$
WAY-602219
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  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> (1,847)
1850

>  <Formula> (1,847)
C14H12N2O3S2

>  <MolWeight> (1,847)
320.38668

>  <Cat> (1,847)
P3430

>  <Name> (1,847)
WAY-602219

>  <Synonyms> (1,847)
N/A

>  <Target> (1,847)
Trypanosoma brucei hexokinase 

>  <Form> (1,847)
free base

>  <CAS> (1,847)
378197-09-2

>  <URL> (1,847)
N/A

$$$$
WAY-602746
csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
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 14  9  2  0  0  0  0
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 18 13  2  0  0  0  0
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 22 17  1  0  0  0  0
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  2  4  1  0  0  0  0
 10  8  1  0  0  0  0
 24 23  2  0  0  0  0
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M  END
>  <Mol_ID> (1,848)
1851

>  <Formula> (1,848)
C20H16N4O

>  <MolWeight> (1,848)
328.36724

>  <Cat> (1,848)
P3431

>  <Name> (1,848)
WAY-602746

>  <Synonyms> (1,848)
N/A

>  <Target> (1,848)
ROS 

>  <Form> (1,848)
free base

>  <CAS> (1,848)
370096-57-4

>  <URL> (1,848)
N/A

$$$$
WAY-603264
csChFnd80/09132414022D

 12 13  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,849)
1852

>  <Formula> (1,849)
C8H12N2OS

>  <MolWeight> (1,849)
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P3432

>  <Name> (1,849)
WAY-603264

>  <Synonyms> (1,849)
N/A

>  <Target> (1,849)
adenosine kinase

>  <Form> (1,849)
free base

>  <CAS> (1,849)
58350-40-6

>  <URL> (1,849)
N/A

$$$$
WAY-603359
csChFnd80/09132414022D

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>  <Mol_ID> (1,850)
1853

>  <Formula> (1,850)
C10H12ClN3O2

>  <MolWeight> (1,850)
241.67418

>  <Cat> (1,850)
P3433

>  <Name> (1,850)
WAY-603359

>  <Synonyms> (1,850)
N/A

>  <Target> (1,850)
p38

>  <Form> (1,850)
free base

>  <CAS> (1,850)
329268-90-8

>  <URL> (1,850)
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> (1,851)
1854

>  <Formula> (1,851)
C10H14O2

>  <MolWeight> (1,851)
166.21696

>  <Cat> (1,851)
P3482

>  <Name> (1,851)
WAY-634931

>  <Synonyms> (1,851)
N/A

>  <Target> (1,851)
GSK3,ROR gamma,CETP,metabotropic glutamate r

>  <Form> (1,851)
free base

>  <CAS> (1,851)
82683-51-0

>  <URL> (1,851)
N/A

$$$$
WAY-634964
csChFnd80/09132414022D

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>  <Mol_ID> (1,852)
1855

>  <Formula> (1,852)
C9H7N3O2

>  <MolWeight> (1,852)
189.17078

>  <Cat> (1,852)
P3483

>  <Name> (1,852)
WAY-634964

>  <Synonyms> (1,852)
N/A

>  <Target> (1,852)
tyrosine kinase

>  <Form> (1,852)
free base

>  <CAS> (1,852)
157842-34-7

>  <URL> (1,852)
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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 15  3  2  0  0  0  0
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 17  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,853)
1856

>  <Formula> (1,853)
C13H13ClN2O5S

>  <MolWeight> (1,853)
344.77072

>  <Cat> (1,853)
P3481

>  <Name> (1,853)
WAY-634704

>  <Synonyms> (1,853)
N/A

>  <Target> (1,853)
Aurora kinase A

>  <Form> (1,853)
free base

>  <CAS> (1,853)
781619-26-9

>  <URL> (1,853)
N/A

$$$$
WAY-635109
csChFnd80/09132414022D

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 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,854)
1857

>  <Formula> (1,854)
C13H9N3O2S

>  <MolWeight> (1,854)
271.29446

>  <Cat> (1,854)
P3484

>  <Name> (1,854)
WAY-635109

>  <Synonyms> (1,854)
N/A

>  <Target> (1,854)
B-Raf

>  <Form> (1,854)
free base

>  <CAS> (1,854)
781622-25-1

>  <URL> (1,854)
N/A

$$$$
WAY-635114
csChFnd80/09132414022D

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>  <Mol_ID> (1,855)
1858

>  <Formula> (1,855)
C13H11N3OS

>  <MolWeight> (1,855)
257.31094

>  <Cat> (1,855)
P3485

>  <Name> (1,855)
WAY-635114

>  <Synonyms> (1,855)
N/A

>  <Target> (1,855)
B-Raf

>  <Form> (1,855)
free base

>  <CAS> (1,855)
781622-52-4

>  <URL> (1,855)
N/A

$$$$
WAY-635319
csChFnd80/09132414022D

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>  <Synonyms> (1,856)
N/A

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CDK

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free base

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763098-07-3

>  <URL> (1,856)
N/A

$$$$
WAY-603610
csChFnd80/09132414022D

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>  <Mol_ID> (1,857)
1860

>  <Formula> (1,857)
C17H19N3OS

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313.41726

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P3434

>  <Name> (1,857)
WAY-603610

>  <Synonyms> (1,857)
N/A

>  <Target> (1,857)
GSK3

>  <Form> (1,857)
free base

>  <CAS> (1,857)
380450-97-5

>  <URL> (1,857)
N/A

$$$$
WAY-603814
csChFnd80/09132414022D

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>  <Mol_ID> (1,858)
1861

>  <Formula> (1,858)
C16H13ClN2O3

>  <MolWeight> (1,858)
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P3435

>  <Name> (1,858)
WAY-603814

>  <Synonyms> (1,858)
N/A

>  <Target> (1,858)
FGFR1, HSP 90 

>  <Form> (1,858)
free base

>  <CAS> (1,858)
308298-51-3

>  <URL> (1,858)
N/A

$$$$
WAY-636900
csChFnd80/09132414022D

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>  <Mol_ID> (1,859)
1862

>  <Formula> (1,859)
C20H20N4O5S

>  <MolWeight> (1,859)
428.4616

>  <Cat> (1,859)
P3489

>  <Name> (1,859)
WAY-636900

>  <Synonyms> (1,859)
N/A

>  <Target> (1,859)
Aurora kinase A

>  <Form> (1,859)
free base

>  <CAS> (1,859)
792965-51-6

>  <URL> (1,859)
N/A

$$$$
WAY-636982
csChFnd80/09132414022D

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>  <Mol_ID> (1,860)
1863

>  <Formula> (1,860)
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>  <MolWeight> (1,860)
226.22916

>  <Cat> (1,860)
P3490

>  <Name> (1,860)
WAY-636982

>  <Synonyms> (1,860)
N/A

>  <Target> (1,860)
Aurora kinase A

>  <Form> (1,860)
free base

>  <CAS> (1,860)
834-45-7

>  <URL> (1,860)
N/A

$$$$
WAY-637081
csChFnd80/09132414022D

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free base

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N/A

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WAY-637493
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N/A

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Fyn

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free base

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791600-64-1

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N/A

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WAY-637845
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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
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B-Raf

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free base

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63895-45-4

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N/A

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WAY-655978
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free base

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692869-98-0

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N/A

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WAY-656283
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263270-62-8

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N/A

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WAY-656935
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325.3849

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>  <Name> (1,867)
WAY-656935

>  <Synonyms> (1,867)
N/A

>  <Target> (1,867)
 ROCK, ERK, GSK, and AGC 

>  <Form> (1,867)
free base

>  <CAS> (1,867)
852902-81-9

>  <URL> (1,867)
N/A

$$$$
WAY-657460
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,868)
1871

>  <Formula> (1,868)
C17H15N3O2S

>  <MolWeight> (1,868)
325.3849

>  <Cat> (1,868)
P3524

>  <Name> (1,868)
WAY-657460

>  <Synonyms> (1,868)
N/A

>  <Target> (1,868)
 ROCK, ERK, GSK, and AGC 

>  <Form> (1,868)
free base

>  <CAS> (1,868)
853325-19-6

>  <URL> (1,868)
N/A

$$$$
WAY-323534
csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,869)
1872

>  <Formula> (1,869)
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>  <MolWeight> (1,869)
349.81354

>  <Cat> (1,869)
P3339

>  <Name> (1,869)
WAY-323534

>  <Synonyms> (1,869)
N/A

>  <Target> (1,869)
PASK

>  <Form> (1,869)
free base

>  <CAS> (1,869)
854040-96-3

>  <URL> (1,869)
N/A

$$$$
WAY-323878-A
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,870)
1873

>  <Formula> (1,870)
C16H14N2O

>  <MolWeight> (1,870)
250.29516

>  <Cat> (1,870)
P3340

>  <Name> (1,870)
WAY-323878-A

>  <Synonyms> (1,870)
N/A

>  <Target> (1,870)
CDK

>  <Form> (1,870)
free base

>  <CAS> (1,870)
1185726-51-5

>  <URL> (1,870)
N/A

$$$$
WAY-323879
csChFnd80/09132414022D

 18 20  0  0  0  0  0  0  0  0999 V2000
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1874

>  <Formula> (1,871)
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>  <MolWeight> (1,871)
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>  <Cat> (1,871)
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>  <Name> (1,871)
WAY-323879

>  <Synonyms> (1,871)
N/A

>  <Target> (1,871)
CDK

>  <Form> (1,871)
free base

>  <CAS> (1,871)
685097-43-2

>  <URL> (1,871)
N/A

$$$$
WAY-324418
csChFnd80/09132414022D

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>  <Name> (1,872)
WAY-324418

>  <Synonyms> (1,872)
N/A

>  <Target> (1,872)
Anti-infection

>  <Form> (1,872)
free base

>  <CAS> (1,872)
681838-49-3

>  <URL> (1,872)
N/A

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WAY-324420
csChFnd80/09132414022D

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N/A

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Anti-infection

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free base

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681838-50-6

>  <URL> (1,873)
N/A

$$$$
WAY-324709
csChFnd80/09132414022D

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>  <Mol_ID> (1,874)
1877

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C15H9FN2O3

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284.2419632

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P3344

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WAY-324709

>  <Synonyms> (1,874)
N/A

>  <Target> (1,874)
ATP-kinase

>  <Form> (1,874)
free base

>  <CAS> (1,874)
69785-85-9

>  <URL> (1,874)
N/A

$$$$
WAY-325065
csChFnd80/09132414022D

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>  <Mol_ID> (1,875)
1878

>  <Formula> (1,875)
C16H17N7S

>  <MolWeight> (1,875)
339.41808

>  <Cat> (1,875)
P3345

>  <Name> (1,875)
WAY-325065

>  <Synonyms> (1,875)
N/A

>  <Target> (1,875)
MtSk

>  <Form> (1,875)
free base

>  <CAS> (1,875)
689762-76-3

>  <URL> (1,875)
N/A

$$$$
WAY-325185
csChFnd80/09132414022D

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>  <Mol_ID> (1,876)
1879

>  <Formula> (1,876)
C17H21N5O3

>  <MolWeight> (1,876)
343.38034

>  <Cat> (1,876)
P3346

>  <Name> (1,876)
WAY-325185

>  <Synonyms> (1,876)
N/A

>  <Target> (1,876)
VEGFR

>  <Form> (1,876)
free base

>  <CAS> (1,876)
342785-98-2

>  <URL> (1,876)
N/A

$$$$
WAY-325484
csChFnd80/09132414022D

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>  <Mol_ID> (1,877)
1880

>  <Formula> (1,877)
C16H18N4

>  <MolWeight> (1,877)
266.34092

>  <Cat> (1,877)
P3347

>  <Name> (1,877)
WAY-325484

>  <Synonyms> (1,877)
N/A

>  <Target> (1,877)
CDK8

>  <Form> (1,877)
free base

>  <CAS> (1,877)
642002-74-2

>  <URL> (1,877)
N/A

$$$$
WAY-325485
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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free base

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177937-81-4

>  <URL> (1,878)
N/A

$$$$
WAY-325487
csChFnd80/09132414022D

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WAY-325487

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N/A

>  <Target> (1,879)
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free base

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575471-15-7

>  <URL> (1,879)
N/A

$$$$
WAY-325490
csChFnd80/09132414022D

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WAY-325490

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N/A

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mitogen activated protein kinase-activated p

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free base

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77607-70-6

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N/A

$$$$
WAY-606344
csChFnd80/09132414022D

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WAY-606344

>  <Synonyms> (1,881)
N/A

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Casein kinase 1d

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free base

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380423-28-9

>  <URL> (1,881)
N/A

$$$$
WAY-606954
csChFnd80/09132414022D

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>  <Formula> (1,882)
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WAY-606954

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N/A

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GSK3

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free base

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748145-12-2

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N/A

$$$$
WAY-606956
csChFnd80/09132414022D

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free base

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748145-19-9

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N/A

$$$$
WAY-606957
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WAY-606957

>  <Synonyms> (1,884)
N/A

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GSK3

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free base

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1062138-03-7

>  <URL> (1,884)
N/A

$$$$
WAY-606958
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,885)
1888

>  <Formula> (1,885)
C23H23N5O

>  <MolWeight> (1,885)
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P3441

>  <Name> (1,885)
WAY-606958

>  <Synonyms> (1,885)
N/A

>  <Target> (1,885)
Casein kinase 1¦Ä

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free base

>  <CAS> (1,885)
882220-11-3

>  <URL> (1,885)
N/A

$$$$
WAY-297629
csChFnd80/09132414022D

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1889

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WAY-297629

>  <Synonyms> (1,886)
N/A

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VEGFR2

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free base

>  <CAS> (1,886)
371213-22-8

>  <URL> (1,886)
N/A

$$$$
GI-569525
csChFnd80/09132414022D

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>  <Formula> (1,887)
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>  <MolWeight> (1,887)
343.39688

>  <Cat> (1,887)
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>  <Name> (1,887)
GI-569525

>  <Synonyms> (1,887)
N/A

>  <Target> (1,887)
Anti-infection

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free base

>  <CAS> (1,887)
96334-43-9

>  <URL> (1,887)
N/A

$$$$
WAY-298041
csChFnd80/09132414022D

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   -4.5207   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  3  7  1  0  0  0  0
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  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
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 12 13  1  0  0  0  0
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 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> (1,888)
1891

>  <Formula> (1,888)
C17H15N3O2

>  <MolWeight> (1,888)
293.3199

>  <Cat> (1,888)
P3300

>  <Name> (1,888)
WAY-298041

>  <Synonyms> (1,888)
N/A

>  <Target> (1,888)
c-Met

>  <Form> (1,888)
free base

>  <CAS> (1,888)
299405-67-7

>  <URL> (1,888)
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
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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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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
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 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
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  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> (1,889)
1892

>  <Formula> (1,889)
C17H17NO3

>  <MolWeight> (1,889)
283.32178

>  <Cat> (1,889)
P3301

>  <Name> (1,889)
WAY-298350

>  <Synonyms> (1,889)
N/A

>  <Target> (1,889)
A kinase anchor protein/protein kinase A int

>  <Form> (1,889)
free base

>  <CAS> (1,889)
304888-67-3

>  <URL> (1,889)
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
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  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
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 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 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> (1,890)
1893

>  <Formula> (1,890)
C14H13ClN2O3

>  <MolWeight> (1,890)
292.71762

>  <Cat> (1,890)
P3302

>  <Name> (1,890)
WAY-298516

>  <Synonyms> (1,890)
N/A

>  <Target> (1,890)
Androgen Receptor,RAD51,GSK-3

>  <Form> (1,890)
free base

>  <CAS> (1,890)
103056-35-5

>  <URL> (1,890)
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
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  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
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 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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  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> (1,891)
1894

>  <Formula> (1,891)
C22H23N5O3

>  <MolWeight> (1,891)
405.44972

>  <Cat> (1,891)
P3303

>  <Name> (1,891)
WAY-298668

>  <Synonyms> (1,891)
N/A

>  <Target> (1,891)
Aurora-A,JAMM protease

>  <Form> (1,891)
free base

>  <CAS> (1,891)
371224-09-8

>  <URL> (1,891)
N/A

$$$$
WAY-607324
csChFnd80/09132414022D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
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 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
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 16  9  2  0  0  0  0
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 18  9  1  0  0  0  0
 19 18  2  0  0  0  0
  3  5  1  0  0  0  0
 17 14  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,892)
1895

>  <Formula> (1,892)
C13H8N2O2S2

>  <MolWeight> (1,892)
288.34482

>  <Cat> (1,892)
P3442

>  <Name> (1,892)
WAY-607324

>  <Synonyms> (1,892)
N/A

>  <Target> (1,892)
Mcl-1,ASK1

>  <Form> (1,892)
free base

>  <CAS> (1,892)
1427537-92-5

>  <URL> (1,892)
N/A

$$$$
WAY-607500
csChFnd80/09132414022D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 19  5  1  0  0  0  0
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 11 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,893)
1896

>  <Formula> (1,893)
C19H18N2O2

>  <MolWeight> (1,893)
306.35842

>  <Cat> (1,893)
P3443

>  <Name> (1,893)
WAY-607500

>  <Synonyms> (1,893)
N/A

>  <Target> (1,893)
VEGFR

>  <Form> (1,893)
free base

>  <CAS> (1,893)
186610-88-8

>  <URL> (1,893)
N/A

$$$$
WAY-607777
csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  9  1  2  0  0  0  0
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 15  6  1  0  0  0  0
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 17  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,894)
1897

>  <Formula> (1,894)
C16H12ClN3O2S2

>  <MolWeight> (1,894)
377.86838

>  <Cat> (1,894)
P3445

>  <Name> (1,894)
WAY-607777

>  <Synonyms> (1,894)
N/A

>  <Target> (1,894)
Casein kinase 1d

>  <Form> (1,894)
free base

>  <CAS> (1,894)
522626-08-0

>  <URL> (1,894)
N/A

$$$$
WAY-619275
csChFnd80/09132414022D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  7  2  1  0  0  0  0
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 18 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,895)
1898

>  <Formula> (1,895)
C12H11N5O

>  <MolWeight> (1,895)
241.24864

>  <Cat> (1,895)
P3457

>  <Name> (1,895)
WAY-619275

>  <Synonyms> (1,895)
N/A

>  <Target> (1,895)
Plk1 kinase,EphB2

>  <Form> (1,895)
free base

>  <CAS> (1,895)
73663-97-5

>  <URL> (1,895)
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
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M  END
>  <Mol_ID> (1,896)
1899

>  <Formula> (1,896)
C15H12ClN3S

>  <MolWeight> (1,896)
301.79388

>  <Cat> (1,896)
P3459

>  <Name> (1,896)
WAY-620099

>  <Synonyms> (1,896)
N/A

>  <Target> (1,896)
tyrosine kinase,PI3K,phosphodiesterase V

>  <Form> (1,896)
free base

>  <CAS> (1,896)
128277-24-7

>  <URL> (1,896)
N/A

$$$$
WAY-620147
csChFnd80/09132414022D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  7  8  2  0  0  0  0
  4  5  1  0  0  0  0
  7  9  1  0  0  0  0
  2  3  1  0  0  0  0
  9 10  1  0  0  0  0
  5  6  2  0  0  0  0
 10 11  1  0  0  0  0
  6  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  3  4  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  3 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,897)
1900

>  <Formula> (1,897)
C12H16BrN3O2

>  <MolWeight> (1,897)
314.17834

>  <Cat> (1,897)
P3460

>  <Name> (1,897)
WAY-620147

>  <Synonyms> (1,897)
N/A

>  <Target> (1,897)
monoamine oxidase a

>  <Form> (1,897)
free base

>  <CAS> (1,897)
515866-67-8

>  <URL> (1,897)
N/A

$$$$
WAY-638641
csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
  7 17  1  0  0  0  0
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 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
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 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> (1,898)
1901

>  <Formula> (1,898)
C16H17N3O5S

>  <MolWeight> (1,898)
363.38828

>  <Cat> (1,898)
P3494

>  <Name> (1,898)
WAY-638641

>  <Synonyms> (1,898)
N/A

>  <Target> (1,898)
Aurora kinase A

>  <Form> (1,898)
free base

>  <CAS> (1,898)
796068-62-7

>  <URL> (1,898)
N/A

$$$$
WAY-638796
csChFnd80/09132414022D

 19 22  0  0  0  0  0  0  0  0999 V2000
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 11 13  1  0  0  0  0
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M  END
>  <Mol_ID> (1,899)
1902

>  <Formula> (1,899)
C14H10ClN3S

>  <MolWeight> (1,899)
287.7673

>  <Cat> (1,899)
P3495

>  <Name> (1,899)
WAY-638796

>  <Synonyms> (1,899)
N/A

>  <Target> (1,899)
tyrosine kinase

>  <Form> (1,899)
free base

>  <CAS> (1,899)
796067-64-6

>  <URL> (1,899)
N/A

$$$$
WAY-639405
csChFnd80/09132414022D

 28 32  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0  0  0  0
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  7  1  1  0  0  0  0
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 12 17  1  0  0  0  0
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 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
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 18 22  1  0  0  0  0
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 22 10  2  0  0  0  0
 23 20  1  0  0  0  0
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 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 28  1  0  0  0  0
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  8  9  2  0  0  0  0
  5  3  2  0  0  0  0
 27 18  2  0  0  0  0
 13 12  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,900)
1903

>  <Formula> (1,900)
C21H18N4O2S

>  <MolWeight> (1,900)
390.45822

>  <Cat> (1,900)
P3496

>  <Name> (1,900)
WAY-639405

>  <Synonyms> (1,900)
N/A

>  <Target> (1,900)
tyrosine kinase,phosphodiesterase V

>  <Form> (1,900)
free base

>  <CAS> (1,900)
796052-04-5

>  <URL> (1,900)
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
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 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
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 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> (1,901)
1904

>  <Formula> (1,901)
C16H11ClFN3OS

>  <MolWeight> (1,901)
347.7944432

>  <Cat> (1,901)
P3526

>  <Name> (1,901)
WAY-658513

>  <Synonyms> (1,901)
N/A

>  <Target> (1,901)
ROCK, ERK, GSK, and AGC

>  <Form> (1,901)
free base

>  <CAS> (1,901)
692870-25-0

>  <URL> (1,901)
N/A

$$$$
WAY-326250
csChFnd80/09132414022D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
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  8  6  2  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  2  0  0  0  0
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 21 20  2  0  0  0  0
 22 18  1  0  0  0  0
  8  4  1  0  0  0  0
  7  9  1  0  0  0  0
 16 14  2  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,902)
1905

>  <Formula> (1,902)
C15H13N5OS

>  <MolWeight> (1,902)
311.36162

>  <Cat> (1,902)
P3351

>  <Name> (1,902)
WAY-326250

>  <Synonyms> (1,902)
N/A

>  <Target> (1,902)
shikimate kinase

>  <Form> (1,902)
free base

>  <CAS> (1,902)
869872-13-9

>  <URL> (1,902)
N/A

$$$$
WAY-326542
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  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> (1,903)
1906

>  <Formula> (1,903)
C16H15NO3S

>  <MolWeight> (1,903)
301.3602

>  <Cat> (1,903)
P3352

>  <Name> (1,903)
WAY-326542

>  <Synonyms> (1,903)
N/A

>  <Target> (1,903)
CDK5/p25

>  <Form> (1,903)
free base

>  <CAS> (1,903)
870983-04-3

>  <URL> (1,903)
N/A

$$$$
WAY-326578
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.6415   -1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (1,904)
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>  <MolWeight> (1,904)
316.37484

>  <Cat> (1,904)
P3353

>  <Name> (1,904)
WAY-326578

>  <Synonyms> (1,904)
N/A

>  <Target> (1,904)
GSK-3b

>  <Form> (1,904)
free base

>  <CAS> (1,904)
870984-34-2

>  <URL> (1,904)
N/A

$$$$
WAY-326890
csChFnd80/09132414022D

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 13  3  1  0  0  0  0
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 15  3  2  0  0  0  0
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M  END
>  <Mol_ID> (1,905)
1908

>  <Formula> (1,905)
C17H17N3O3S2

>  <MolWeight> (1,905)
375.46518

>  <Cat> (1,905)
P3354

>  <Name> (1,905)
WAY-326890

>  <Synonyms> (1,905)
N/A

>  <Target> (1,905)
Others

>  <Form> (1,905)
free base

>  <CAS> (1,905)
685865-67-2

>  <URL> (1,905)
N/A

$$$$
WAY-326891
csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 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
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 17  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,906)
1909

>  <Formula> (1,906)
C17H17N3O3S2

>  <MolWeight> (1,906)
375.46518

>  <Cat> (1,906)
P3355

>  <Name> (1,906)
WAY-326891

>  <Synonyms> (1,906)
N/A

>  <Target> (1,906)
kinase

>  <Form> (1,906)
free base

>  <CAS> (1,906)
685865-71-8

>  <URL> (1,906)
N/A

$$$$
WAY-326892
csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,907)
1910

>  <Formula> (1,907)
C17H17N3O3S2

>  <MolWeight> (1,907)
375.46518

>  <Cat> (1,907)
P3356

>  <Name> (1,907)
WAY-326892

>  <Synonyms> (1,907)
N/A

>  <Target> (1,907)
kinase

>  <Form> (1,907)
free base

>  <CAS> (1,907)
685865-72-9

>  <URL> (1,907)
N/A

$$$$
WAY-326893
csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 12  3  2  0  0  0  0
 13  3  2  0  0  0  0
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M  END
>  <Mol_ID> (1,908)
1911

>  <Formula> (1,908)
C17H17N3O3S2

>  <MolWeight> (1,908)
375.46518

>  <Cat> (1,908)
P3357

>  <Name> (1,908)
WAY-326893

>  <Synonyms> (1,908)
N/A

>  <Target> (1,908)
Others

>  <Form> (1,908)
free base

>  <CAS> (1,908)
685865-73-0

>  <URL> (1,908)
N/A

$$$$
WAY-326894
csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 16  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,909)
1912

>  <Formula> (1,909)
C15H12FN3O3S2

>  <MolWeight> (1,909)
365.4024832

>  <Cat> (1,909)
P3358

>  <Name> (1,909)
WAY-326894

>  <Synonyms> (1,909)
N/A

>  <Target> (1,909)
kinase

>  <Form> (1,909)
free base

>  <CAS> (1,909)
685865-75-2

>  <URL> (1,909)
N/A

$$$$
WAY-328158
csChFnd80/09132414022D

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  7  1  1  0  0  0  0
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  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  1  0  0  0  0
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 21  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,910)
1913

>  <Formula> (1,910)
C19H16FN3O3S

>  <MolWeight> (1,910)
385.4120432

>  <Cat> (1,910)
P3360

>  <Name> (1,910)
WAY-328158

>  <Synonyms> (1,910)
N/A

>  <Target> (1,910)
BCR-ABL

>  <Form> (1,910)
free base

>  <CAS> (1,910)
688050-42-2

>  <URL> (1,910)
N/A

$$$$
WAY-621129
csChFnd80/09132414022D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
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 12 16  1  0  0  0  0
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 18 20  1  0  0  0  0
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 11 15  2  0  0  0  0
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M  END
>  <Mol_ID> (1,911)
1914

>  <Formula> (1,911)
C16H12O4

>  <MolWeight> (1,911)
268.26408

>  <Cat> (1,911)
P3461

>  <Name> (1,911)
WAY-621129

>  <Synonyms> (1,911)
N/A

>  <Target> (1,911)
SIRT6,BCRP/ABCG2,CK2,HIV-1 protease,CDK

>  <Form> (1,911)
free base

>  <CAS> (1,911)
6889-78-7

>  <URL> (1,911)
N/A

$$$$
WAY-621555
csChFnd80/09132414022D

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 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
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 10  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,912)
1915

>  <Formula> (1,912)
C22H21N5

>  <MolWeight> (1,912)
355.43564

>  <Cat> (1,912)
P3462

>  <Name> (1,912)
WAY-621555

>  <Synonyms> (1,912)
N/A

>  <Target> (1,912)
Casein kinase 1¦Ä

>  <Form> (1,912)
free base

>  <CAS> (1,912)
956753-89-2

>  <URL> (1,912)
N/A

$$$$
WAY-621640
csChFnd80/09132414022D

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  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
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 10  8  2  0  0  0  0
 11 12  2  0  0  0  0
 12  2  1  0  0  0  0
 13 14  1  0  0  0  0
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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
 19 17  1  0  0  0  0
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 15 20  1  0  0  0  0
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M  END
>  <Mol_ID> (1,913)
1916

>  <Formula> (1,913)
C17H15N3O2S

>  <MolWeight> (1,913)
325.3849

>  <Cat> (1,913)
P3463

>  <Name> (1,913)
WAY-621640

>  <Synonyms> (1,913)
N/A

>  <Target> (1,913)
Casein kinase 1¦Ä

>  <Form> (1,913)
free base

>  <CAS> (1,913)
742113-71-9

>  <URL> (1,913)
N/A

$$$$
WAY-621856
csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
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M  END
>  <Mol_ID> (1,914)
1917

>  <Formula> (1,914)
C16H9N5O3S

>  <MolWeight> (1,914)
351.33936

>  <Cat> (1,914)
P3464

>  <Name> (1,914)
WAY-621856

>  <Synonyms> (1,914)
N/A

>  <Target> (1,914)
FGFR

>  <Form> (1,914)
free base

>  <CAS> (1,914)
606958-57-0

>  <URL> (1,914)
N/A

$$$$
WAY-639932
csChFnd80/09132414022D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  6  1  0  0  0  0
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 12 10  2  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,915)
1918

>  <Formula> (1,915)
C17H12N4S2

>  <MolWeight> (1,915)
336.43398

>  <Cat> (1,915)
P3497

>  <Name> (1,915)
WAY-639932

>  <Synonyms> (1,915)
N/A

>  <Target> (1,915)
Casein kinase 1¦Ä

>  <Form> (1,915)
free base

>  <CAS> (1,915)
851467-69-1

>  <URL> (1,915)
N/A

$$$$
WAY-660114
csChFnd80/09132414022D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  4  1  0  0  0  0
 11 12  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  1  0  0  0  0
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 15 10  1  0  0  0  0
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 17 15  1  0  0  0  0
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 20 21  2  0  0  0  0
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 23 20  1  0  0  0  0
  7  9  2  0  0  0  0
 14 12  2  0  0  0  0
 10 11  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,916)
1919

>  <Formula> (1,916)
C14H9FN6S2

>  <MolWeight> (1,916)
344.3898632

>  <Cat> (1,916)
P3527

>  <Name> (1,916)
WAY-660114

>  <Synonyms> (1,916)
N/A

>  <Target> (1,916)
kinase

>  <Form> (1,916)
free base

>  <CAS> (1,916)
871317-00-9

>  <URL> (1,916)
N/A

$$$$
WAY-660222
csChFnd80/09132414022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  1  1  0  0  0  0
 15  6  1  0  0  0  0
 16  5  1  0  0  0  0
 17 10  1  0  0  0  0
 18 14  2  0  0  0  0
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 10  6  2  0  0  0  0
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M  END
>  <Mol_ID> (1,917)
1920

>  <Formula> (1,917)
C19H13FO

>  <MolWeight> (1,917)
276.3043232

>  <Cat> (1,917)
P3528

>  <Name> (1,917)
WAY-660222

>  <Synonyms> (1,917)
N/A

>  <Target> (1,917)
EGFR

>  <Form> (1,917)
free base

>  <CAS> (1,917)
867294-23-3

>  <URL> (1,917)
N/A

$$$$
WAY-660667
csChFnd80/09132414022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 14  9  2  0  0  0  0
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 16  6  1  0  0  0  0
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 11 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,918)
1921

>  <Formula> (1,918)
C17H17N5O3

>  <MolWeight> (1,918)
339.34858

>  <Cat> (1,918)
P3529

>  <Name> (1,918)
WAY-660667

>  <Synonyms> (1,918)
N/A

>  <Target> (1,918)
ROS

>  <Form> (1,918)
free base

>  <CAS> (1,918)
871218-26-7

>  <URL> (1,918)
N/A

$$$$
WAY-661516
csChFnd80/09132414022D

 25 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10 20  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15 10  2  0  0  0  0
 16 11  2  0  0  0  0
 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19 22  1  0  0  0  0
 20 18  1  0  0  0  0
 21  9  1  0  0  0  0
 22 17  2  0  0  0  0
 23 19  1  0  0  0  0
 24  5  1  0  0  0  0
 25  5  1  0  0  0  0
  4  5  1  0  0  0  0
 19 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,919)
1922

>  <Formula> (1,919)
C15H15ClFN3O5

>  <MolWeight> (1,919)
371.7481032

>  <Cat> (1,919)
P3530

>  <Name> (1,919)
WAY-661516

>  <Synonyms> (1,919)
N/A

>  <Target> (1,919)
Aurora kinase A

>  <Form> (1,919)
free base

>  <CAS> (1,919)
875163-98-7

>  <URL> (1,919)
N/A

$$$$
CL-230482
csChFnd80/09132414022D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0418   -0.2584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2306   -0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0582    0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6694    0.8795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
 12 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  5  9  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,920)
1923

>  <Formula> (1,920)
C15H12N2O

>  <MolWeight> (1,920)
236.26858

>  <Cat> (1,920)
P3255

>  <Name> (1,920)
CL-230482

>  <Synonyms> (1,920)
N/A

>  <Target> (1,920)
PDGFR

>  <Form> (1,920)
free base

>  <CAS> (1,920)
909859-35-4

>  <URL> (1,920)
N/A

$$$$
WYE-163716-A
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.2542   -0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5783   -0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1990   -0.0273    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9404    0.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3907   -0.7204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8852   -1.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4921    0.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542    1.4624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0162    1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7045   -1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0886   -2.2445    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,921)
1924

>  <Formula> (1,921)
C15H14N4O2S2

>  <MolWeight> (1,921)
346.42726

>  <Cat> (1,921)
P3533

>  <Name> (1,921)
WYE-163716-A

>  <Synonyms> (1,921)
N/A

>  <Target> (1,921)
rRNA ErmC' methyltransferase,F508del-CFTR,PI

>  <Form> (1,921)
free base

>  <CAS> (1,921)
92902-64-2

>  <URL> (1,921)
N/A

$$$$
WYE-175765
csChFnd80/09132414022D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.4583    0.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8708    0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4583   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -3.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 20  2  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
  9 12  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,922)
1925

>  <Formula> (1,922)
C14H13NO6S

>  <MolWeight> (1,922)
323.32112

>  <Cat> (1,922)
P3534

>  <Name> (1,922)
WYE-175765

>  <Synonyms> (1,922)
N/A

>  <Target> (1,922)
JAK3,YopH,antibacterial

>  <Form> (1,922)
free base

>  <CAS> (1,922)
956236-35-4

>  <URL> (1,922)
N/A

$$$$
WYE-175829
csChFnd80/09132414022D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    0.3375   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8083   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -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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   -1.8083    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5208    1.0208    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  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> (1,923)
1926

>  <Formula> (1,923)
C13H14N2O3S

>  <MolWeight> (1,923)
278.32686

>  <Cat> (1,923)
P3535

>  <Name> (1,923)
WYE-175829

>  <Synonyms> (1,923)
N/A

>  <Target> (1,923)
tyrosine kinase,gonadotropin-releasing hormo

>  <Form> (1,923)
free base

>  <CAS> (1,923)
327093-01-6

>  <URL> (1,923)
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
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   -1.6349   -2.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6556    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8755   -1.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1556    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1452    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651    2.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  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> (1,924)
1927

>  <Formula> (1,924)
C14H14N2O2

>  <MolWeight> (1,924)
242.27316

>  <Cat> (1,924)
P3536

>  <Name> (1,924)
WYE-175837

>  <Synonyms> (1,924)
N/A

>  <Target> (1,924)
BTK,VEGFR-2,Protein Arginine Deiminase

>  <Form> (1,924)
free base

>  <CAS> (1,924)
891-35-0

>  <URL> (1,924)
N/A

$$$$
WYE-175840
csChFnd80/09132414022D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    0.2375    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -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
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    1.6375   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5583   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9792   -3.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -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> (1,925)
1928

>  <Formula> (1,925)
C17H19N5O3S

>  <MolWeight> (1,925)
373.42946

>  <Cat> (1,925)
P3537

>  <Name> (1,925)
WYE-175840

>  <Synonyms> (1,925)
N/A

>  <Target> (1,925)
Glutamate Racemase,protein kinase-activated 

>  <Form> (1,925)
free base

>  <CAS> (1,925)
380432-29-1

>  <URL> (1,925)
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
   -3.3669    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4331   -0.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435   -0.5960    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1952    0.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2228   -0.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9435    0.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  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> (1,926)
1929

>  <Formula> (1,926)
C12H14N2O2S2

>  <MolWeight> (1,926)
282.38176

>  <Cat> (1,926)
P3538

>  <Name> (1,926)
WYE-176092

>  <Synonyms> (1,926)
N/A

>  <Target> (1,926)
Anti-infection

>  <Form> (1,926)
free base

>  <CAS> (1,926)
121746-06-3

>  <URL> (1,926)
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
   -8.3625    6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7667    3.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9667    8.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3625    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1292   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5250    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9417    5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    6.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.3625    0.7208    0.0000 S   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
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21  8  1  0  0  0  0
 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> (1,927)
1930

>  <Formula> (1,927)
C18H19N5OS

>  <MolWeight> (1,927)
353.44136

>  <Cat> (1,927)
P3379

>  <Name> (1,927)
WAY-333491

>  <Synonyms> (1,927)
N/A

>  <Target> (1,927)
LRRK2

>  <Form> (1,927)
free base

>  <CAS> (1,927)
852375-30-5

>  <URL> (1,927)
N/A

$$$$
WAY-333434
csChFnd80/09132414022D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    1.5792    4.5042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5792   -1.8292    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  9  1  0  0  0  0
  8  5  2  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  8  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  2  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 21  1  0  0  0  0
 21 19  2  0  0  0  0
 22 18  1  0  0  0  0
 23 16  1  0  0  0  0
 24 15  1  0  0  0  0
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
  6  3  1  0  0  0  0
 12 10  2  0  0  0  0
 22 20  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,928)
1931

>  <Formula> (1,928)
C19H20FN5OS

>  <MolWeight> (1,928)
385.4584032

>  <Cat> (1,928)
P3378

>  <Name> (1,928)
WAY-333434

>  <Synonyms> (1,928)
N/A

>  <Target> (1,928)
Others

>  <Form> (1,928)
free base

>  <CAS> (1,928)
721964-45-0

>  <URL> (1,928)
N/A

$$$$
WAY-662864
csChFnd80/09132414022D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.5958    1.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0708   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.2458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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370.42398

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>  <Name> (1,929)
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>  <Synonyms> (1,929)
N/A

>  <Target> (1,929)
UMPK

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free base

>  <CAS> (1,929)
1621866-83-8

>  <URL> (1,929)
N/A

$$$$
WAY-278752
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,930)
1933

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340.18128

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WAY-278752

>  <Synonyms> (1,930)
N/A

>  <Target> (1,930)
IGF1R

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free base

>  <CAS> (1,930)
331652-38-1

>  <URL> (1,930)
N/A

$$$$
WAY-329594
csChFnd80/09132414022D

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M  END
>  <Mol_ID> (1,931)
1934

>  <Formula> (1,931)
C14H10BrN3O3S2

>  <MolWeight> (1,931)
412.2815

>  <Cat> (1,931)
P3369

>  <Name> (1,931)
WAY-329594

>  <Synonyms> (1,931)
N/A

>  <Target> (1,931)
others

>  <Form> (1,931)
free base

>  <CAS> (1,931)
956910-37-5

>  <URL> (1,931)
N/A

$$$$
WAY-329599
csChFnd80/09132414022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  2  2  0  0  0  0
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M  END
>  <Mol_ID> (1,932)
1935

>  <Formula> (1,932)
C14H10FN3O3S2

>  <MolWeight> (1,932)
351.3759032

>  <Cat> (1,932)
P3371

>  <Name> (1,932)
WAY-329599

>  <Synonyms> (1,932)
N/A

>  <Target> (1,932)
others

>  <Form> (1,932)
free base

>  <CAS> (1,932)
956910-38-6

>  <URL> (1,932)
N/A

$$$$
WAY-329603
csChFnd80/09132414022D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,933)
1936

>  <Formula> (1,933)
C15H12ClN3O3S2

>  <MolWeight> (1,933)
381.85708

>  <Cat> (1,933)
P3372

>  <Name> (1,933)
WAY-329603

>  <Synonyms> (1,933)
N/A

>  <Target> (1,933)
others

>  <Form> (1,933)
free base

>  <CAS> (1,933)
956910-39-7

>  <URL> (1,933)
N/A

$$$$
WAY-329598
csChFnd80/09132414022D

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 10  2  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 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
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 20 17  1  0  0  0  0
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 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> (1,934)
1937

>  <Formula> (1,934)
C16H15N3O3S2

>  <MolWeight> (1,934)
361.4386

>  <Cat> (1,934)
P3370

>  <Name> (1,934)
WAY-329598

>  <Synonyms> (1,934)
N/A

>  <Target> (1,934)
others

>  <Form> (1,934)
free base

>  <CAS> (1,934)
956910-48-8

>  <URL> (1,934)
N/A

$$$$
WAY-329607
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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  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
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 20  9  2  0  0  0  0
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 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> (1,935)
1938

>  <Formula> (1,935)
C14H9ClFN3O3S2

>  <MolWeight> (1,935)
385.8209632

>  <Cat> (1,935)
P3373

>  <Name> (1,935)
WAY-329607

>  <Synonyms> (1,935)
N/A

>  <Target> (1,935)
others

>  <Form> (1,935)
free base

>  <CAS> (1,935)
956920-91-5

>  <URL> (1,935)
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
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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
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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> (1,936)
1939

>  <Formula> (1,936)
C10H6ClNO2S

>  <MolWeight> (1,936)
239.67814

>  <Cat> (1,936)
P3293

>  <Name> (1,936)
WAY-278535

>  <Synonyms> (1,936)
N/A

>  <Target> (1,936)
Pim-1,Pim-2,PPAR

>  <Form> (1,936)
free base

>  <CAS> (1,936)
24138-83-8

>  <URL> (1,936)
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
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    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> (1,937)
1940

>  <Formula> (1,937)
C10H14O

>  <MolWeight> (1,937)
150.21756

>  <Cat> (1,937)
E4298

>  <Name> (1,937)
(-)-Carvone

>  <Synonyms> (1,937)
(-)-Carvone

>  <Target> (1,937)
Others

>  <Form> (1,937)
free base

>  <CAS> (1,937)
6485-40-1

>  <URL> (1,937)
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
   10.6697    3.8501    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
   13.3370    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6697    6.9302    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 13  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 15  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  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  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 19  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
M  END
>  <Mol_ID> (1,938)
1941

>  <Formula> (1,938)
C22H22O4

>  <MolWeight> (1,938)
350.40768

>  <Cat> (1,938)
S8928

>  <Name> (1,938)
FX11

>  <Synonyms> (1,938)
LDHA Inhibitor FX11

>  <Target> (1,938)
LDH

>  <Form> (1,938)
Free base

>  <CAS> (1,938)
213971-34-7

>  <URL> (1,938)
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
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   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
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 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
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 13 27  1  0  0  0  0
 15 26  1  0  0  0  0
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 16 33  1  0  0  0  0
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 17 36  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
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 27 28  2  0  0  0  0
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 37 38  2  0  0  0  0
M  END
>  <Mol_ID> (1,939)
1942

>  <Formula> (1,939)
C23H16F8N4O3

>  <MolWeight> (1,939)
548.3853656

>  <Cat> (1,939)
S3493

>  <Name> (1,939)
APS6-45

>  <Target> (1,939)
RAS

>  <Form> (1,939)
Free base

>  <CAS> (1,939)
2188236-41-9

>  <URL> (1,939)
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> (1,940)
1943

>  <Formula> (1,940)
C15H13N3O3

>  <MolWeight> (1,940)
283.28202

>  <Cat> (1,940)
S2949

>  <Name> (1,940)
KPLH1130

>  <Target> (1,940)
Carbohydrate Metabolism

>  <Form> (1,940)
Free base

>  <CAS> (1,940)
906669-07-6

>  <URL> (1,940)
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> (1,941)
1944

>  <Formula> (1,941)
C3H8O2S

>  <MolWeight> (1,941)
108.15942

>  <Cat> (1,941)
E2907

>  <Name> (1,941)
1-Thioglycerol

>  <Synonyms> (1,941)
Mercaptopropanedioltech

>  <Target> (1,941)
Others

>  <Form> (1,941)
Acid

>  <CAS> (1,941)
96-27-5

>  <URL> (1,941)
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> (1,942)
1945

>  <Formula> (1,942)
C21H26BrNO4

>  <MolWeight> (1,942)
436.33944

>  <Cat> (1,942)
E2880

>  <Name> (1,942)
methylnaltrexone bromide

>  <Target> (1,942)
Opioid Receptor

>  <Form> (1,942)
Bromide

>  <CAS> (1,942)
73232-52-7

>  <URL> (1,942)
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
    1.3337    4.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7953    5.6099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5518    4.8984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4514    8.1915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8405   10.3529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    3.0800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7350    1.5400    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
   10.7350    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  6  0  0  0
  2 24  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  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
  9 10  1  0  0  0  0
 10 11  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
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 35  1  6  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 36  1  1  0  0  0
 20  1  1  1  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 22 37  1  6  0  0  0
 23 29  1  0  0  0  0
 24 26  1  0  0  0  0
 24 38  1  6  0  0  0
 25 15  1  6  0  0  0
 25 28  1  0  0  0  0
 27 16  1  1  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 30 39  1  1  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 34  1  0  0  0  0
 34 17  1  6  0  0  0
M  END
>  <Mol_ID> (1,943)
1946

>  <Formula> (1,943)
C26H47NNaO7S

>  <MolWeight> (1,943)
540.70865

>  <Cat> (1,943)
E2411

>  <Name> (1,943)
Taurodeoxycholic acid sodium hydrate

>  <Target> (1,943)
S1PR Agonist

>  <Form> (1,943)
Sodium hydrate

>  <CAS> (1,943)
110026-03-4

>  <URL> (1,943)
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

 34 38  0  0  0  0  0  0  0  0999 V2000
    5.3348    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3956    3.2573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6376    5.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.5111    7.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4163    9.1630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1374    6.5101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8295    6.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0754    4.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3358    7.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7991    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1058    5.9081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8119    8.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750    9.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7813    9.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.0800    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
    6.6686    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5426    6.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0743    6.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9796    8.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8215    9.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3531    9.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1 17  1  0  0  0  0
  1 23  1  0  0  0  0
  2 10  2  0  0  0  0
  3 13  1  0  0  0  0
  3 29  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 32  1  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
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  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
M  END
>  <Mol_ID> (1,944)
1947

>  <Formula> (1,944)
C29H20ClNO3

>  <MolWeight> (1,944)
465.927

>  <Cat> (1,944)
E2371

>  <Name> (1,944)
YLF-466D

>  <Target> (1,944)
AMPK

>  <Form> (1,944)
free base

>  <CAS> (1,944)
1273323-67-3

>  <URL> (1,944)
https://www.selleckchem.com/products/ylf-466d.html

$$$$
Cyclohexyl N-[5-[2-(acetylamino)-6-benzothiazolyl]-2-methyl-3-pyridinyl]carba...
csChFnd80/09132414022D

 30 33  0  0  0  0  0  0  0  0999 V2000
   14.5793    6.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3493    4.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8893    4.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5793    3.4926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    6.9300    0.0000 N   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
    1.3336    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673   10.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1340    7.4059    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1340    4.9142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0392    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347   10.0101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    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 17  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 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 25  1  0  0  0  0
  9 24  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 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  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
 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
M  END
>  <Mol_ID> (1,945)
1948

>  <Formula> (1,945)
C22H24N4O3S

>  <MolWeight> (1,945)
424.51596

>  <Cat> (1,945)
E2367

>  <Name> (1,945)
PK68

>  <Target> (1,945)
RIPK1

>  <Form> (1,945)
free base

>  <CAS> (1,945)
2173556-69-7

>  <URL> (1,945)
https://www.selleckchem.com/products/pk68.html

$$$$
0Chemicalbook2387524-59-4.MOL
csChFnd80/09132414022D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.0300   -0.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3155   -0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6010   -0.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8866   -0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8866   -1.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6010   -1.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3155   -1.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300    0.5101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7444   -0.7274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7211    0.6771    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1336   -0.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5816   -0.6505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1721   -0.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0858    0.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9541   -0.1236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4390    0.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1035    1.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5884    1.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4089    1.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7444    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2595    0.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2830    1.3837    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 22  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
M  END
>  <Mol_ID> (1,946)
1949

>  <Formula> (1,946)
C16H11FN2O2S

>  <MolWeight> (1,946)
314.3341432

>  <Cat> (1,946)
E1351

>  <Name> (1,946)
NF-¦Ê¦¢ activator 1

>  <Synonyms> (1,946)
Compound 32

>  <Target> (1,946)
NF-¦Ê¦¢

>  <Form> (1,946)
free base

>  <CAS> (1,946)
2387524-59-4

>  <URL> (1,946)
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

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.2565    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9238    4.6200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2576    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0276    5.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4876    2.5164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5912    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2576    6.5175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5676    5.1837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9229    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4582    4.3259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9229    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2565    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4582    1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2565    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5902    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5902    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9823    5.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759    6.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0127    6.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    8.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0306    8.7198    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 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  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
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  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 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> (1,947)
1950

>  <Formula> (1,947)
C15H15N5O2S

>  <MolWeight> (1,947)
329.3769

>  <Cat> (1,947)
E1346

>  <Name> (1,947)
HS94

>  <Synonyms> (1,947)
DAPK3 inhibitor HS94

>  <Target> (1,947)
DAPK

>  <Form> (1,947)
free base

>  <CAS> (1,947)
1892594-93-2

>  <URL> (1,947)
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
    1.5400    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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> (1,948)
1951

>  <Formula> (1,948)
C15H14FN5O2S

>  <MolWeight> (1,948)
347.3673632

>  <Cat> (1,948)
E1345

>  <Name> (1,948)
HS148

>  <Synonyms> (1,948)
DAPK3 inhibitor HS148

>  <Target> (1,948)
DAPK

>  <Form> (1,948)
Free base

>  <CAS> (1,948)
1892595-16-2

>  <URL> (1,948)
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
    4.7636    1.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2418    1.5245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081    0.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100    3.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1952

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C19H16N4O2S

>  <MolWeight> (1,949)
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E1314

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>  <Target> (1,949)
LATS Inhibitor

>  <Form> (1,949)
free base

>  <CAS> (1,949)
2687970-96-1

>  <URL> (1,949)
https://www.selleckchem.com/products/tdi-011536.html

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0Chemicalbook484049-04-9.MOL
csChFnd80/09132414022D

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   -1.1691   -0.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 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
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 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
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 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> (1,950)
1953

>  <Formula> (1,950)
C18H13FN4O2

>  <MolWeight> (1,950)
336.3198232

>  <Cat> (1,950)
E1312

>  <Name> (1,950)
DPH

>  <Target> (1,950)
Bcr-Abl

>  <Form> (1,950)
free base

>  <CAS> (1,950)
484049-04-9

>  <URL> (1,950)
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
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   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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   24.5682    1.8517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.7292    0.3202    0.0000 C   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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  3 21  1  0  0  0  0
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  4  6  2  0  0  0  0
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 39 10  1  6  0  0  0
M  END
>  <Mol_ID> (1,951)
1954

>  <Formula> (1,951)
C28H37FN8O2

>  <MolWeight> (1,951)
536.6441832

>  <Cat> (1,951)
E1297

>  <Name> (1,951)
BGB 15025

>  <Target> (1,951)
MAP4K

>  <Form> (1,951)
free base

>  <CAS> (1,951)
2766481-17-6

>  <URL> (1,951)
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
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  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
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 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
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 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
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 27 28  1  0  0  0  0
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 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> (1,952)
1955

>  <Formula> (1,952)
C24H28N4O4

>  <MolWeight> (1,952)
436.50352

>  <Cat> (1,952)
E1261

>  <Name> (1,952)
Chroman 1

>  <Target> (1,952)
ROCK

>  <Form> (1,952)
free base

>  <CAS> (1,952)
1273579-40-0

>  <URL> (1,952)
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
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    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> (1,953)
1956

>  <Formula> (1,953)
C14H20ClNO4S2

>  <MolWeight> (1,953)
365.8959

>  <Cat> (1,953)
E1220

>  <Name> (1,953)
CBR-470-1

>  <Target> (1,953)
phosphoglycerate kinase

>  <Form> (1,953)
free base

>  <CAS> (1,953)
2416095-06-0

>  <URL> (1,953)
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> (1,954)
1957

>  <Formula> (1,954)
C19H37NO4

>  <MolWeight> (1,954)
343.50138

>  <Cat> (1,954)
E1218

>  <Name> (1,954)
K6PC-5

>  <Target> (1,954)
SPHK

>  <Form> (1,954)
free base

>  <CAS> (1,954)
756875-51-1

>  <URL> (1,954)
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
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    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
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 13 32  1  0  0  0  0
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 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
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 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> (1,955)
1958

>  <Formula> (1,955)
C29H28ClN7O

>  <MolWeight> (1,955)
526.03192

>  <Cat> (1,955)
E1056

>  <Name> (1,955)
Opnurasib (JDQ-443) 

>  <Synonyms> (1,955)
NVP-JDQ443

>  <Target> (1,955)
Ras

>  <Form> (1,955)
free base

>  <CAS> (1,955)
2653994-08-0

>  <URL> (1,955)
https://www.selleckchem.com/products/jdq443.html

$$$$
873080-25-2.MOL
csChFnd80/09132414022D

 29 31  0  0  0  0  0  0  0  0999 V2000
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   -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
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    1.7862   -1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2151   -1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -2.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -2.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9296   -2.4910    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.2535    0.0000 Cl  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
  1 16  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4 29  1  0  0  0  0
  5  6  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
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  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
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  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
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,956)
1959

>  <Formula> (1,956)
C19H17Cl2N3O4S

>  <MolWeight> (1,956)
454.32698

>  <Cat> (1,956)
E0437

>  <Name> (1,956)
ZAP-180013

>  <Target> (1,956)
syk

>  <Form> (1,956)
Free base

>  <CAS> (1,956)
873080-25-2

>  <URL> (1,956)
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
    8.8726    8.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3791    7.7705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9389    2.3594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9591    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.2059    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   19.5361    5.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
   17.4650    3.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5563    5.0335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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> (1,957)
1960

>  <Formula> (1,957)
C23H22Cl2FN5O3

>  <MolWeight> (1,957)
506.3568832

>  <Cat> (1,957)
S9741

>  <Name> (1,957)
TAS-119

>  <Target> (1,957)
Aurora Kinase

>  <Form> (1,957)
Free base

>  <CAS> (1,957)
1453099-83-6

>  <URL> (1,957)
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
    6.9300    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    5.3347    0.0000 N   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
    2.3100    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.7000    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.2400    0.0000    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
   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> (1,958)
1961

>  <Formula> (1,958)
C24H20N4O2

>  <MolWeight> (1,958)
396.4412

>  <Cat> (1,958)
S6952

>  <Name> (1,958)
MK-28

>  <Target> (1,958)
PERK

>  <Form> (1,958)
Free base

>  <CAS> (1,958)
864388-65-8

>  <URL> (1,958)
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
    9.6106    9.7865    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7238    7.7002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    8.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1601    5.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0564    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901   14.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0586    7.7002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4656    7.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2197    9.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4960    8.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9415    5.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7260    9.5521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0025    7.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4479    5.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4784    6.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7249    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7249    5.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3913    7.7002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3913    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0576    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0576    5.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3913    3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0576    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    3.0801    8.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    9.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    9.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801   10.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201   10.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101   12.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901   12.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801   13.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201   13.5988    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 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  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
  6 31  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 15  1  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
 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
 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
 37 39  1  0  0  0  0
 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> (1,959)
1962

>  <Formula> (1,959)
C31H38F2N8O

>  <MolWeight> (1,959)
576.6832264

>  <Cat> (1,959)
S3575

>  <Name> (1,959)
Zandelisib

>  <Synonyms> (1,959)
ME-401; PWT-143

>  <Target> (1,959)
PI3K

>  <Form> (1,959)
Free base

>  <CAS> (1,959)
1401436-95-0

>  <URL> (1,959)
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

 43 45  0  0  0  0  0  0  0  0999 V2000
    6.6685    6.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    6.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    8.4701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    9.2401    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   10.7801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.0010    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    9.2401    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
    2.6673    8.4701    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    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    8.4701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    9.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    8.4701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    8.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    9.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6718    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6718    8.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0055    9.2401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0055   10.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    8.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393   11.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6730    9.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6730   10.7801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6702    1.5400    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   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
   12.6702    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6702    3.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
 10 19  1  0  0  0  0
 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
 24 26  1  0  0  0  0
 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
 32 33  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 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> (1,960)
1963

>  <Formula> (1,960)
C26H34Cl2N7O7P

>  <MolWeight> (1,960)
658.470621

>  <Cat> (1,960)
E4474

>  <Name> (1,960)
Infigratinib Phosphate

>  <Synonyms> (1,960)
NVP-BGJ398 phosphate

>  <Target> (1,960)
FGFR

>  <Form> (1,960)
Phosphate 

>  <CAS> (1,960)
1310746-10-1

>  <URL> (1,960)
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
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   15.1657    4.3858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9300    2.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7000    1.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0101    2.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    1.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5501    2.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4553    3.9564    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4553    1.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
 24 26  1  0  0  0  0
 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> (1,961)
1964

>  <Formula> (1,961)
C22H25N3O5S2

>  <MolWeight> (1,961)
475.581

>  <Cat> (1,961)
E2981

>  <Name> (1,961)
PI4KIIIbeta-IN-10

>  <Target> (1,961)
PI4K

>  <Form> (1,961)
Free base

>  <CAS> (1,961)
1881233-39-1

>  <URL> (1,961)
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
    5.5252    5.0287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898    3.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2050    1.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898    4.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1343    1.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3494    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8141    0.4760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    3.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 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> (1,962)
1965

>  <Formula> (1,962)
C11H9N5

>  <MolWeight> (1,962)
211.22266

>  <Cat> (1,962)
E2980

>  <Name> (1,962)
4-AMino-1-phenylpyrazolo[3,4-d]pyriMidine

>  <Synonyms> (1,962)
PP 3

>  <Target> (1,962)
EGFR

>  <Form> (1,962)
Free base

>  <CAS> (1,962)
5334-30-5

>  <URL> (1,962)
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
    7.4387    5.9538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8986    3.2864    0.0000 O   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
   14.6708    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0046    2.3101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3101    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   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
   12.0035    1.5400    0.0000 C   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
    4.0012    4.6201    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
    2.6675    5.3901    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
    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
 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
M  END
>  <Mol_ID> (1,963)
1966

>  <Formula> (1,963)
C16H13ClO4S

>  <MolWeight> (1,963)
336.79002

>  <Cat> (1,963)
E2947

>  <Name> (1,963)
Recilisib

>  <Synonyms> (1,963)
ON 01210, EX-RAD

>  <Target> (1,963)
AKT

>  <Form> (1,963)
Salt

>  <CAS> (1,963)
334969-03-8

>  <URL> (1,963)
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> (1,964)
1967

>  <Formula> (1,964)
C18H16N2O2

>  <MolWeight> (1,964)
292.33184

>  <Cat> (1,964)
E2933

>  <Name> (1,964)
MOMIPP

>  <Target> (1,964)
PIKfyve

>  <Form> (1,964)
Free base

>  <CAS> (1,964)
1363421-46-8

>  <URL> (1,964)
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> (1,965)
1968

>  <Formula> (1,965)
C15H16ClN5

>  <MolWeight> (1,965)
301.77404

>  <Cat> (1,965)
E2932

>  <Name> (1,965)
SI-2 Hydrochloride

>  <Synonyms> (1,965)
EPH 116 Hydrochloride

>  <Target> (1,965)
Others

>  <Form> (1,965)
hydrochloride

>  <CAS> (1,965)
1992052-49-9

>  <URL> (1,965)
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> (1,966)
1969

>  <Formula> (1,966)
C12H12Cl2N2O4

>  <MolWeight> (1,966)
319.14068

>  <Cat> (1,966)
E2914

>  <Name> (1,966)
5,6-Dichlorobenzimidazole 1-beta-D-ribofuranoside

>  <Synonyms> (1,966)
DRB

>  <Target> (1,966)
Casein Kinase

>  <Form> (1,966)
Free base

>  <CAS> (1,966)
53-85-0

>  <URL> (1,966)
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> (1,967)
1970

>  <Formula> (1,967)
C26H26F3NO3

>  <MolWeight> (1,967)
457.4847496

>  <Cat> (1,967)
E2363

>  <Name> (1,967)
Etrasimod(APD334)

>  <Synonyms> (1,967)
APD334

>  <Target> (1,967)
S1P Receptor

>  <Form> (1,967)
Free base

>  <CAS> (1,967)
1206123-37-6

>  <URL> (1,967)
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> (1,968)
1971

>  <Formula> (1,968)
C30H42N6O2

>  <MolWeight> (1,968)
518.69348

>  <Cat> (1,968)
E1744

>  <Name> (1,968)
UNC5293

>  <Target> (1,968)
Mertk

>  <Form> (1,968)
Free base

>  <CAS> (1,968)
2226789-82-6

>  <URL> (1,968)
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> (1,969)
1972

>  <Formula> (1,969)
C16H15ClN4O2

>  <MolWeight> (1,969)
330.7689

>  <Cat> (1,969)
E1734

>  <Name> (1,969)
OD36

>  <Target> (1,969)
RIP kinase

>  <Form> (1,969)
Free base

>  <CAS> (1,969)
1638644-62-8

>  <URL> (1,969)
https://www.selleckchem.com/products/od36.html

$$$$
>  <Mol_ID> (1,970)
1973

>  <Cat> (1,970)
E1732

>  <Name> (1,970)
Itacnosertib (TP-0184)

>  <Synonyms> (1,970)
TP-0184

>  <Target> (1,970)
ALK

>  <Form> (1,970)
Salt

>  <CAS> (1,970)
1628870-27-8

>  <URL> (1,970)
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
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    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
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    0.7700    8.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   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> (1,971)
1974

>  <Formula> (1,971)
C24H20N6O2S

>  <MolWeight> (1,971)
456.5196

>  <Cat> (1,971)
E1731

>  <Name> (1,971)
JW74

>  <Target> (1,971)
Wnt/beta-catenin

>  <Form> (1,971)
Free base/ Salt

>  <CAS> (1,971)
863405-60-1

>  <URL> (1,971)
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
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    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
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    6.8817    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (1,972)
1975

>  <Formula> (1,972)
C19H16ClN5OS

>  <MolWeight> (1,972)
397.88124

>  <Cat> (1,972)
E1714

>  <Name> (1,972)
B022

>  <Target> (1,972)
NF-¦ÊB

>  <Form> (1,972)
Free base

>  <CAS> (1,972)
1202764-53-1

>  <URL> (1,972)
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> (1,973)
1976

>  <Formula> (1,973)
C20H19FN4O3S

>  <MolWeight> (1,973)
414.4532632

>  <Cat> (1,973)
E1692

>  <Name> (1,973)
BAY 2965501

>  <Target> (1,973)
Others

>  <Form> (1,973)
Free base

>  <CAS> (1,973)
2732902-08-6

>  <URL> (1,973)
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
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   15.5438    2.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0753    2.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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    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> (1,974)
1977

>  <Formula> (1,974)
C19H23N7O2

>  <MolWeight> (1,974)
381.43162

>  <Cat> (1,974)
E1667

>  <Name> (1,974)
LY2880070

>  <Target> (1,974)
Chk

>  <Form> (1,974)
Free base

>  <CAS> (1,974)
1375637-35-6

>  <URL> (1,974)
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
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   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
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    4.2664    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (1,975)
1978

>  <Formula> (1,975)
C22H20ClN5O3S

>  <MolWeight> (1,975)
469.9439

>  <Cat> (1,975)
E1657

>  <Name> (1,975)
Gamcemetinib (CC-99677)

>  <Synonyms> (1,975)
BMS-986371

>  <Target> (1,975)
MAPKAPK2

>  <Form> (1,975)
Free base

>  <CAS> (1,975)
1887069-10-4

>  <URL> (1,975)
https://www.selleckchem.com/products/cc-99677.html

$$$$
Î±-[2-[[2-(3-Pyridinyl)ethyl]amino]-4-pyrimidinyl]-2-benzothiazoleacetonitrile
csChFnd80/09132414022D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.0811    3.0801    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0811    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0811    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4159    3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7497    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0834    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7474    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5865    5.3816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3406    3.2236    0.0000 S   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
    2.3100    4.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    7.0355    0.0000 C   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
    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
    7.4149    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7486    3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4149    5.3901    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
    8.7486    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0823    5.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4171    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7507    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4171    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0846    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7507    6.1601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0846    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  3  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 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  1  0  0  0  0
 22 24  2  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 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,976)
1979

>  <Formula> (1,976)
C20H16N6S

>  <MolWeight> (1,976)
372.44624

>  <Cat> (1,976)
E1656

>  <Name> (1,976)
AS601245

>  <Target> (1,976)
JNK

>  <Form> (1,976)
Free base

>  <CAS> (1,976)
345987-15-7

>  <URL> (1,976)
https://www.selleckchem.com/products/as601245.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> (1,977)
1980

>  <Formula> (1,977)
C26H25F3N8O

>  <MolWeight> (1,977)
522.5249096

>  <Cat> (1,977)
E1651

>  <Name> (1,977)
CD532

>  <Target> (1,977)
Aurora Kinase

>  <Form> (1,977)
Free base

>  <CAS> (1,977)
1639009-81-6

>  <URL> (1,977)
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
    5.3348    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
  7  8  1  0  0  0  0
  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
 11 13  1  0  0  0  0
 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> (1,978)
1981

>  <Formula> (1,978)
C26H34F3N5O3

>  <MolWeight> (1,978)
521.5750696

>  <Cat> (1,978)
E1649

>  <Name> (1,978)
Exarafenib

>  <Synonyms> (1,978)
KIN-002787, KIN-2787, RAF/KIN_2787

>  <Target> (1,978)
Raf

>  <Form> (1,978)
Free base

>  <CAS> (1,978)
2639957-39-2

>  <URL> (1,978)
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> (1,979)
1982

>  <Formula> (1,979)
C13H12ClN7O

>  <MolWeight> (1,979)
317.73368

>  <Cat> (1,979)
E1605

>  <Name> (1,979)
Avotaciclib trihydrochloride

>  <Synonyms> (1,979)
BEY1107 trihydrochloride

>  <Target> (1,979)
CDK

>  <Form> (1,979)
Trihydrochloride salt

>  <CAS> (1,979)
1983984-01-5

>  <URL> (1,979)
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> (1,980)
1983

>  <Formula> (1,980)
C27H32N6O

>  <MolWeight> (1,980)
456.58258

>  <Cat> (1,980)
E1579

>  <Name> (1,980)
UCL-TRO-1938

>  <Target> (1,980)
PI3K

>  <Form> (1,980)
Free base

>  <CAS> (1,980)
2919575-27-0

>  <URL> (1,980)
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> (1,981)
1984

>  <Formula> (1,981)
C32H32F2N8O2

>  <MolWeight> (1,981)
598.6456864

>  <Cat> (1,981)
E1578

>  <Name> (1,981)
garsorasib (D-1553 )

>  <Target> (1,981)
Ras

>  <Form> (1,981)
Free base

>  <CAS> (1,981)
2559761-14-5

>  <URL> (1,981)
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> (1,982)
1985

>  <Formula> (1,982)
C11H13ClN2O3S

>  <MolWeight> (1,982)
288.75052

>  <Cat> (1,982)
E1575

>  <Name> (1,982)
EN450

>  <Target> (1,982)
NF-¦ÊB

>  <Form> (1,982)
Free base

>  <CAS> (1,982)
793719-01-4

>  <URL> (1,982)
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> (1,983)
1986

>  <Formula> (1,983)
C23H24N8O3

>  <MolWeight> (1,983)
460.48846

>  <Cat> (1,983)
E1526

>  <Name> (1,983)
Zasocitinib

>  <Synonyms> (1,983)
NDI-034858; TAK-279

>  <Target> (1,983)
JAK

>  <Form> (1,983)
Free base

>  <CAS> (1,983)
2272904-53-5

>  <URL> (1,983)
https://www.selleckchem.com/products/zasocitinib.html

$$$$
4-[2,3-Dihydro-7-methoxy-3-methyl-8-(1-methyl-1H-pyrazol-4-yl)-2-oxo-1H-imida...
csChFnd80/09132414022D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.3628    4.2275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7126    2.7930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3193   10.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3193   11.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7862    1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8166    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2882    6.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9845    7.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3182    7.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6643    5.7223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6508    7.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3182    9.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6520    7.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1328    5.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5063    6.9681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6508    9.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6520   10.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9845   10.3086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9856    7.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9856    9.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6948    4.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2189    3.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2012    4.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2493    1.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2316    3.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7558    2.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3193    7.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    7.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4802    5.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7567    6.7105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9867    5.3768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 16  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  6  7  3  0  0  0  0
  6 27  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  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 22  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 17 19  2  0  0  0  0
 18 21  1  0  0  0  0
 20 21  2  0  0  0  0
 20 28  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
 26 27  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 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,984)
1987

>  <Formula> (1,984)
C23H17FN6O2

>  <MolWeight> (1,984)
428.4184832

>  <Cat> (1,984)
E1512

>  <Name> (1,984)
M3541

>  <Target> (1,984)
ATM/ATR

>  <Form> (1,984)
Free base

>  <CAS> (1,984)
1360628-91-6

>  <URL> (1,984)
https://www.selleckchem.com/products/m3541.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> (1,985)
1988

>  <Formula> (1,985)
C19H17N5O

>  <MolWeight> (1,985)
331.37118

>  <Cat> (1,985)
E1509

>  <Name> (1,985)
Bezuclastinib

>  <Synonyms> (1,985)
CGT9486, PLX 9486

>  <Target> (1,985)
c-Kit

>  <Form> (1,985)
Free base

>  <CAS> (1,985)
1616385-51-3

>  <URL> (1,985)
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
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  5 37  1  0  0  0  0
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 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> (1,986)
1989

>  <Formula> (1,986)
C34H42N4O7

>  <MolWeight> (1,986)
618.71988

>  <Cat> (1,986)
E1507

>  <Name> (1,986)
Zilurgisertib fumarate

>  <Synonyms> (1,986)
INCB-000928 fumarate, NBU-928 fumarate

>  <Target> (1,986)
ALK

>  <Form> (1,986)
Fumarate

>  <CAS> (1,986)
2173390-30-0

>  <URL> (1,986)
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> (1,987)
1990

>  <Formula> (1,987)
C22H27ClFN5O3

>  <MolWeight> (1,987)
463.9328832

>  <Cat> (1,987)
E1495

>  <Name> (1,987)
PF-07220060 (CDK4/6-IN-6)

>  <Synonyms> (1,987)
CDK4/6-IN-6

>  <Target> (1,987)
CDK

>  <Form> (1,987)
Free base

>  <CAS> (1,987)
2380321-51-5

>  <URL> (1,987)
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> (1,988)
1991

>  <Formula> (1,988)
C21H16F3N7O

>  <MolWeight> (1,988)
439.3932496

>  <Cat> (1,988)
E1486

>  <Name> (1,988)
Zamaporvint (RXC004)

>  <Target> (1,988)
Wnt/beta-catenin

>  <Form> (1,988)
Free base

>  <CAS> (1,988)
1900754-56-4

>  <URL> (1,988)
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> (1,989)
1992

>  <Formula> (1,989)
C25H17N3O2S

>  <MolWeight> (1,989)
423.48638

>  <Cat> (1,989)
E1484

>  <Name> (1,989)
PDS-0330

>  <Target> (1,989)
Others

>  <Form> (1,989)
Free base

>  <CAS> (1,989)
2904682-19-3

>  <URL> (1,989)
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> (1,990)
1993

>  <Formula> (1,990)
C30H30ClFN6O2

>  <MolWeight> (1,990)
561.0496032

>  <Cat> (1,990)
E1478

>  <Name> (1,990)
BDTX-1535

>  <Synonyms> (1,990)
EGFR-IN-76

>  <Target> (1,990)
EGFR

>  <Form> (1,990)
Free base

>  <CAS> (1,990)
2607829-38-7

>  <URL> (1,990)
https://www.selleckchem.com/products/bdtx-1535.html

$$$$
Benzo[b]thiophene-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro-4-methyl-4-[3-[4...
csChFnd80/09132414022D

 34 38  0  0  1  0  0  0  0  0999 V2000
    4.9491    2.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2995    1.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1452    4.8578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4788    5.6278    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4788    7.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7961    2.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3473    4.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8416    4.5007    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2775    5.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6243    2.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2660    5.9811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8934    4.5607    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7021    6.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1077    3.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1963    7.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3731    4.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4036    5.4841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1431    3.0059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8105    4.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6496    3.3261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1441    5.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4778    4.8578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1441    7.1678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8116    5.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4778    7.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8116    7.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8125    4.8578    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.4390    6.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9570    3.8272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9705    6.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907    4.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9074    3.6119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  3  0  0  0  0
  2 12  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  1  0  0  0
  6 29  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10  1  1  1  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  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  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  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
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 34  1  1  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> (1,991)
1994

>  <Formula> (1,991)
C23H27N7O2S

>  <MolWeight> (1,991)
465.57118

>  <Cat> (1,991)
E1474

>  <Name> (1,991)
BI-2865

>  <Target> (1,991)
Ras

>  <Form> (1,991)
Free base

>  <CAS> (1,991)
2937327-93-8

>  <URL> (1,991)
https://www.selleckchem.com/products/bi-2865.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> (1,992)
1995

>  <Formula> (1,992)
C24H34N2O2

>  <MolWeight> (1,992)
382.53896

>  <Cat> (1,992)
E1468

>  <Name> (1,992)
MSU-42011

>  <Target> (1,992)
Retinoid Receptor

>  <Form> (1,992)
free base

>  <CAS> (1,992)
2456434-36-7

>  <URL> (1,992)
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> (1,993)
1996

>  <Formula> (1,993)
C20H19ClN6O

>  <MolWeight> (1,993)
394.85746

>  <Cat> (1,993)
E1435

>  <Name> (1,993)
Tinengotinib

>  <Synonyms> (1,993)
TT-00420

>  <Target> (1,993)
Aurora Kinase

>  <Form> (1,993)
Free base

>  <CAS> (1,993)
2230490-29-4

>  <URL> (1,993)
https://www.selleckchem.com/products/tinengotinib.html

$$$$
2-Amino-4-[(4aS)-8-chloro-10-fluoro-2,3,4,4a,5,6-hexahydro-12-oxo-3-(1-oxo-2-...
csChFnd80/09132414022D

 37 41  0  0  1  0  0  0  0  0999 V2000
    5.7906    1.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2551    1.4933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2436    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    7.9109    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    2.5761    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9287    3.3181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5238    6.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6129    5.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9225    8.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1004    6.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    3.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    5.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3259    2.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    6.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8341    2.4452    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    5.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    6.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    5.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    6.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    3.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    6.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    3.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    5.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8686    8.0647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7275    4.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2024    8.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0613    5.6149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6899    8.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4599    7.1025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1503    4.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9474    7.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6378    4.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0363    6.4121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0493    8.5252    0.0000 H   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
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 28  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 36  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 21  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 19  1  0  0  0  0
 18 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 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  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 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  1  0  0  0  0
 32 34  1  0  0  0  0
 32 37  1  6  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (1,994)
1997

>  <Formula> (1,994)
C25H19ClF2N4O3S

>  <MolWeight> (1,994)
528.9581664

>  <Cat> (1,994)
E1433

>  <Name> (1,994)
LY3537982 (KRAS G12C inhibitor 19)

>  <Target> (1,994)
Ras

>  <Form> (1,994)
Free base

>  <CAS> (1,994)
2649788-46-3

>  <URL> (1,994)
https://www.selleckchem.com/products/ly3537982.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> (1,995)
1998

>  <Formula> (1,995)
C28H24FN7O2

>  <MolWeight> (1,995)
509.5342632

>  <Cat> (1,995)
E1431

>  <Name> (1,995)
Lirafugratinib

>  <Synonyms> (1,995)
RLY-4008

>  <Target> (1,995)
FGFR inhibitor

>  <Form> (1,995)
Free base

>  <CAS> (1,995)
2549174-42-5

>  <URL> (1,995)
https://www.selleckchem.com/products/lirafugratinib.html

$$$$
4-(Cyclohexylamino)-2-[[2-methoxy-4-(2-oxo-1-pyrrolidinyl)phenyl]amino]-7H-py...
csChFnd80/09132414022D

 33 37  0  0  0  0  0  0  0  0999 V2000
    3.0800    6.6684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4494    9.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9848   10.4184    0.0000 N   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
    9.2400    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2892    6.7115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    8.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    5.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    8.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9141    9.4667    0.0000 C   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
    7.7000    6.6684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4059    9.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600   10.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.3347    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
    0.0000    4.0011    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
    0.7700    2.6673    0.0000 C   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
   10.0100    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    5.3347    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
   13.8600    4.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7652    5.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7652    2.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2298    4.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2298    3.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  3  0  0  0  0
  2 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  7 30  2  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
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  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
 19 21  1  0  0  0  0
 20 22  1  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
 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> (1,996)
1999

>  <Formula> (1,996)
C24H27N7O2

>  <MolWeight> (1,996)
445.51688

>  <Cat> (1,996)
E1428

>  <Name> (1,996)
Mps1-IN-6 (Compound 9)

>  <Target> (1,996)
Mps1

>  <Form> (1,996)
free base

>  <CAS> (1,996)
2489220-49-5

>  <URL> (1,996)
https://www.selleckchem.com/products/mps1-in-6-compound-9-.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> (1,997)
2000

>  <Formula> (1,997)
C16H12F2N8O

>  <MolWeight> (1,997)
370.3162864

>  <Cat> (1,997)
E1411

>  <Name> (1,997)
Tuvusertib

>  <Synonyms> (1,997)
M1774, ATR inhibitor 1

>  <Target> (1,997)
ATM/ATR

>  <Form> (1,997)
free base

>  <CAS> (1,997)
1613200-51-3

>  <URL> (1,997)
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> (1,998)
2001

>  <Formula> (1,998)
C25H22F3N7O4S

>  <MolWeight> (1,998)
573.5468896

>  <Cat> (1,998)
E1395

>  <Name> (1,998)
GW806742X

>  <Target> (1,998)
Mixed Lineage Kinase

>  <Form> (1,998)
free base

>  <CAS> (1,998)
579515-63-2

>  <URL> (1,998)
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> (1,999)
2002

>  <Formula> (1,999)
C15H10N2O

>  <MolWeight> (1,999)
234.2527

>  <Cat> (1,999)
E1391

>  <Name> (1,999)
SP 600125, negative control

>  <Synonyms> (1,999)
JNK inhibitor II, negative control

>  <Target> (1,999)
JNK

>  <Form> (1,999)
free base

>  <CAS> (1,999)
54642-23-8

>  <URL> (1,999)
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> (2,000)
2003

>  <Formula> (2,000)
C22H18ClN3O4

>  <MolWeight> (2,000)
423.84902

>  <Cat> (2,000)
E1388

>  <Name> (2,000)
ISA-2011B

>  <Target> (2,000)
Others

>  <Form> (2,000)
free base

>  <CAS> (2,000)
1395347-24-6

>  <URL> (2,000)
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> (2,001)
2004

>  <Formula> (2,001)
C39H45N9O5

>  <MolWeight> (2,001)
719.8319

>  <Cat> (2,001)
E1381

>  <Name> (2,001)
NX-2127

>  <Target> (2,001)
BTK

>  <Form> (2,001)
free base

>  <CAS> (2,001)
2416131-46-7

>  <URL> (2,001)
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> (2,002)
2005

>  <Formula> (2,002)
C24H26N6O5

>  <MolWeight> (2,002)
478.50044

>  <Cat> (2,002)
E1353

>  <Name> (2,002)
AZD1656

>  <Target> (2,002)
Carbohydrate Metabolism

>  <Form> (2,002)
free base

>  <CAS> (2,002)
919783-22-5

>  <URL> (2,002)
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> (2,003)
2006

>  <Formula> (2,003)
C19H22F4N4O3S

>  <MolWeight> (2,003)
462.4615928

>  <Cat> (2,003)
E1328

>  <Name> (2,003)
TP-1454

>  <Target> (2,003)
PKM

>  <Form> (2,003)
free base

>  <CAS> (2,003)
2490276-04-3

>  <URL> (2,003)
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> (2,004)
2007

>  <Formula> (2,004)
C17H20N4O2S

>  <MolWeight> (2,004)
344.4313

>  <Cat> (2,004)
E0305

>  <Name> (2,004)
UNC 3230

>  <Target> (2,004)
Others

>  <Form> (2,004)
Free base

>  <CAS> (2,004)
1031602-63-7

>  <URL> (2,004)
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
    4.8806    1.9823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1264    4.1401    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    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> (2,005)
2008

>  <Formula> (2,005)
C12H13NO2S

>  <MolWeight> (2,005)
235.30212

>  <Cat> (2,005)
S8395

>  <Name> (2,005)
INDY

>  <Target> (2,005)
DYRK

>  <Form> (2,005)
Free base

>  <CAS> (2,005)
1169755-45-6

>  <URL> (2,005)
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
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csChFnd80/09132414022D

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ROCK

>  <Form> (2,007)
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>  <URL> (2,007)
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csChFnd80/09132414022D

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Free base

>  <URL> (2,008)
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csChFnd80/09132414022D

 33 37  0  0  0  0  0  0  0  0999 V2000
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>  <Form> (2,009)
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>  <URL> (2,009)
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$$$$
(14R)-7-Ethyl-16-fluoro-2,14-dihydro-2,14-dimethyl-7H-8,12-metheno-4H-pyrazol...
csChFnd80/09132414022D

 31 35  0  0  0  0  0  0  0  0999 V2000
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    7.7769    7.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9524    3.7961    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 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
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 10 15  1  0  0  0  0
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 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
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 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> (2,010)
2013

>  <Formula> (2,010)
C22H22FN7O

>  <MolWeight> (2,010)
419.4547832

>  <Cat> (2,010)
E1409

>  <Name> (2,010)
Zidesamtinib

>  <Synonyms> (2,010)
NVL-520, NVL520

>  <Target> (2,010)
ROS1

>  <Form> (2,010)
Free base

>  <CAS> (2,010)
2739829-00-4

>  <URL> (2,010)
https://www.selleckchem.com/products/zidesamtinib.html

$$$$

csChFnd80/09132414022D

 32 34  0  0  0  0  0  0  0  0999 V2000
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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
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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> (2,011)
2014

>  <Formula> (2,011)
C21H17ClF6N2O2

>  <MolWeight> (2,011)
478.8152992

>  <Cat> (2,011)
E0345

>  <Name> (2,011)
CCG-100602

>  <Synonyms> (2,011)
N/A

>  <Target> (2,011)
Rho

>  <Form> (2,011)
free base

>  <CAS> (2,011)
1207113-88-9

>  <URL> (2,011)
http://www.selleckchem.com/products/ccg-100602.html

$$$$
