AY-20590
csChFnd80/09262109422D

 20 23  0  0  0  0  0  0  0  0999 V2000
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    0.0955   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3955    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2045    1.4759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5541    2.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5149    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5748   -2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5149   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8149    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1)
1

>  <Formula> (1)
C16H10N2O2

>  <MolWeight> (1)
262.2628

>  <Cat> (1)
P3252

>  <Name> (1)
AY-20590

>  <Synonyms> (1)
N/A

>  <Target> (1)
Mcl-1,Anti-infection,PDGFR

>  <Form> (1)
free base

>  <CAS> (1)
57490-73-0

>  <URL> (1)
N/A

$$$$
WAY-278534
csChFnd80/09262109422D

 16 17  0  0  0  0  0  0  0  0999 V2000
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   -3.3000    3.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1000    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5958    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  6  3  2  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
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 10 14  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
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 15 10  1  0  0  0  0
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M  END
>  <Mol_ID> (2)
2

>  <Formula> (2)
C11H9NO3S

>  <MolWeight> (2)
235.25906

>  <Cat> (2)
P3292

>  <Name> (2)
WAY-278534

>  <Synonyms> (2)
N/A

>  <Target> (2)
Pim-1,Pim-2

>  <Form> (2)
free base

>  <CAS> (2)
6320-51-0

>  <URL> (2)
N/A

$$$$
WAY-299369
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0795   -0.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5933   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6726   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1584    2.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9412   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5105   -2.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1312   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 10  2  0  0  0  0
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 19 21  1  0  0  0  0
  7  9  2  0  0  0  0
 13 16  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3)
3

>  <Formula> (3)
C15H15ClN2O3

>  <MolWeight> (3)
306.7442

>  <Cat> (3)
P3304

>  <Name> (3)
WAY-299369

>  <Synonyms> (3)
N/A

>  <Target> (3)
AR,DNA binding,GSK-3¦Á/¦Â,MDM4 and p53

>  <Form> (3)
free base

>  <CAS> (3)
1005078-45-4

>  <URL> (3)
N/A

$$$$
WAY-382818
csChFnd80/09262109422D

 33 36  0  0  0  0  0  0  0  0999 V2000
    9.1542   -7.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7417   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1875   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
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  7 11  1  0  0  0  0
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 10  7  2  0  0  0  0
 11 17  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  2  0  0  0  0
 15  4  2  0  0  0  0
 16  6  2  0  0  0  0
 17 19  1  0  0  0  0
 18  3  1  0  0  0  0
 19 12  1  0  0  0  0
 20 11  2  0  0  0  0
 21  9  1  0  0  0  0
 22 12  2  0  0  0  0
 23  1  1  0  0  0  0
 24  2  1  0  0  0  0
 25 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27 21  2  0  0  0  0
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 29 25  2  0  0  0  0
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 31 27  1  0  0  0  0
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 33 32  1  0  0  0  0
  6  5  1  0  0  0  0
  8  9  2  0  0  0  0
 30 26  2  0  0  0  0
 33 31  2  0  0  0  0
M  END
>  <Mol_ID> (4)
4

>  <Formula> (4)
C24H20N4O5

>  <MolWeight> (4)
444.4394

>  <Cat> (4)
P3418

>  <Name> (4)
WAY-382818

>  <Synonyms> (4)
N/A

>  <Target> (4)
mitogen-activated protein kinase phosphatase

>  <Form> (4)
free base

>  <CAS> (4)
1022922-35-5

>  <URL> (4)
N/A

$$$$
WAY-383270
csChFnd80/09262109422D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.5542   -2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 19  2  0  0  0  0
 18  5  2  0  0  0  0
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 20 15  2  0  0  0  0
 21 17  1  0  0  0  0
 22  6  2  0  0  0  0
 23 10  1  0  0  0  0
 24 14  1  0  0  0  0
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 26 18  1  0  0  0  0
 27 26  2  0  0  0  0
 28 24  1  0  0  0  0
 29 25  1  0  0  0  0
 30 29  1  0  0  0  0
 17 20  1  0  0  0  0
  6  4  1  0  0  0  0
 22 27  1  0  0  0  0
 30 28  1  0  0  0  0
M  END
>  <Mol_ID> (5)
5

>  <Formula> (5)
C23H24FN3O2S

>  <MolWeight> (5)
425.5189632

>  <Cat> (5)
P3419

>  <Name> (5)
WAY-383270

>  <Synonyms> (5)
N/A

>  <Target> (5)
Casein kinase 1¦Ä

>  <Form> (5)
free base

>  <CAS> (5)
1024284-84-1

>  <URL> (5)
N/A

$$$$
GI-566508
csChFnd80/09262109422D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 12 15  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (6)
6

>  <Formula> (6)
C17H17N3S

>  <MolWeight> (6)
295.40198

>  <Cat> (6)
P3259

>  <Name> (6)
GI-566508

>  <Synonyms> (6)
N/A

>  <Target> (6)
EGFR 

>  <Form> (6)
free base

>  <CAS> (6)
1164458-14-3

>  <URL> (6)
N/A

$$$$
WAY-107407
csChFnd80/09262109422D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (7)
7

>  <Formula> (7)
C15H12N2O3

>  <MolWeight> (7)
268.26738

>  <Cat> (7)
P3262

>  <Name> (7)
WAY-107407

>  <Synonyms> (7)
N/A

>  <Target> (7)
PI3K

>  <Form> (7)
free base

>  <CAS> (7)
1164469-67-3

>  <URL> (7)
N/A

$$$$
WAY-114506
csChFnd80/09262109422D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
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 10  1  1  0  0  0  0
 11  7  2  0  0  0  0
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 15  9  1  0  0  0  0
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 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
  6  3  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (8)
8

>  <Formula> (8)
C10H18N4O4

>  <MolWeight> (8)
258.27432

>  <Cat> (8)
P3265

>  <Name> (8)
WAY-114506

>  <Synonyms> (8)
N/A

>  <Target> (8)
amyloid beta

>  <Form> (8)
free base

>  <CAS> (8)
1164500-43-9

>  <URL> (8)
N/A

$$$$
WAY-221060-A
csChFnd80/09262109422D

 19 21  0  0  0  0  0  0  0  0999 V2000
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   12.2415   -6.3810    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   13.1225   -4.7565    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    0.7645   -6.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
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 14  6  1  0  0  0  0
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 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (9)
9

>  <Formula> (9)
C17H25NO

>  <MolWeight> (9)
259.3865

>  <Cat> (9)
P3266

>  <Name> (9)
WAY-221060-A

>  <Synonyms> (9)
N/A

>  <Target> (9)
hOCT1 and hOCT2,JARID1A and JARID1B

>  <Form> (9)
free base

>  <CAS> (9)
1351406-38-6

>  <URL> (9)
N/A

$$$$
WAY-240932
csChFnd80/09262109422D

 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 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
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 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
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 18 21  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (10)
10

>  <Formula> (10)
C15H11BrN2O2S

>  <MolWeight> (10)
363.22904

>  <Cat> (10)
P3269

>  <Name> (10)
WAY-240932

>  <Synonyms> (10)
N/A

>  <Target> (10)
serine/threonine kinase

>  <Form> (10)
free base

>  <CAS> (10)
326914-66-3

>  <URL> (10)
N/A

$$$$
WAY-299590
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (11)
11

>  <Formula> (11)
C19H20FNO

>  <MolWeight> (11)
297.3666032

>  <Cat> (11)
P3305

>  <Name> (11)
WAY-299590

>  <Synonyms> (11)
N/A

>  <Target> (11)
InhA,p38a

>  <Form> (11)
free base

>  <CAS> (11)
260428-61-3

>  <URL> (11)
N/A

$$$$
WAY-300062
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (12)
12

>  <Formula> (12)
C16H16N4O2S

>  <MolWeight> (12)
328.38884

>  <Cat> (12)
P3307

>  <Name> (12)
WAY-300062

>  <Synonyms> (12)
N/A

>  <Target> (12)
Anti-infection

>  <Form> (12)
free base

>  <CAS> (12)
330990-68-6

>  <URL> (12)
N/A

$$$$
WAY-346658
csChFnd80/09262109422D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
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 19 13  1  0  0  0  0
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 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (13)
13

>  <Formula> (13)
C13H11ClN2O2S

>  <MolWeight> (13)
294.75664

>  <Cat> (13)
P3715

>  <Name> (13)
WAY-346658

>  <Synonyms> (13)
N/A

>  <Target> (13)
c-Jun N-terminal kinase

>  <Form> (13)
free base

>  <CAS> (13)
381714-44-9

>  <URL> (13)
N/A

$$$$
WAY-350471
csChFnd80/09262109422D

 20 22  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 14  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14 17  1  0  0  0  0
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 20  6  1  0  0  0  0
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 11  8  2  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (14)
14

>  <Formula> (14)
C14H18N4OS

>  <MolWeight> (14)
290.38392

>  <Cat> (14)
P3714

>  <Name> (14)
WAY-350471

>  <Synonyms> (14)
N/A

>  <Target> (14)
IRAK

>  <Form> (14)
free base

>  <CAS> (14)
785705-53-5

>  <URL> (14)
N/A

$$$$
WAY-352563
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4702    3.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
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 18  5  2  0  0  0  0
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 18 21  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (15)
15

>  <Formula> (15)
C18H14O4

>  <MolWeight> (15)
294.30136

>  <Cat> (15)
P3743

>  <Name> (15)
WAY-352563

>  <Synonyms> (15)
N/A

>  <Target> (15)
CDK

>  <Form> (15)
free base

>  <CAS> (15)
505051-04-7

>  <URL> (15)
N/A

$$$$
GI-505946
csChFnd80/09262109422D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (16)
16

>  <Formula> (16)
C12H9Cl2N3O

>  <MolWeight> (16)
282.12536

>  <Cat> (16)
P3713

>  <Name> (16)
GI-505946

>  <Synonyms> (16)
N/A

>  <Target> (16)
p38

>  <Form> (16)
free base

>  <CAS> (16)
13142-47-7

>  <URL> (16)
N/A

$$$$
WAY-354896
csChFnd80/09262109422D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (17)
17

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C18H16O5

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WAY-354896

>  <Synonyms> (17)
N/A

>  <Target> (17)
PKR,PERK

>  <Form> (17)
free base

>  <CAS> (17)
136498-37-8

>  <URL> (17)
N/A

$$$$
WAY-380496
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C17H14N2O4

>  <MolWeight> (18)
310.30406

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P3741

>  <Name> (18)
WAY-380496

>  <Synonyms> (18)
N/A

>  <Target> (18)
DAPK

>  <Form> (18)
free base

>  <CAS> (18)
304000-05-3

>  <URL> (18)
N/A

$$$$
WAY-381332
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C13H10N2O2S2

>  <MolWeight> (19)
290.3607

>  <Cat> (19)
P3712

>  <Name> (19)
WAY-381332

>  <Synonyms> (19)
N/A

>  <Target> (19)
CDK9 

>  <Form> (19)
free base

>  <CAS> (19)
380163-63-3

>  <URL> (19)
N/A

$$$$
WAY-332656
csChFnd80/09262109422D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C18H13ClN4O2

>  <MolWeight> (20)
352.77442

>  <Cat> (20)
P3695

>  <Name> (20)
WAY-332656

>  <Synonyms> (20)
N/A

>  <Target> (20)
Protein kinase C epsilon signaling

>  <Form> (20)
free base

>  <CAS> (20)
904458-98-6

>  <URL> (20)
N/A

$$$$
WAY-601017
csChFnd80/09262109422D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C25H22N6O3S

>  <MolWeight> (21)
486.54558

>  <Cat> (21)
P3426

>  <Name> (21)
WAY-601017

>  <Synonyms> (21)
N/A

>  <Target> (21)
 PI3K

>  <Form> (21)
free base

>  <CAS> (21)
300375-81-9

>  <URL> (21)
N/A

$$$$
WAY-601035
csChFnd80/09262109422D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (22)
22

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C13H9N3OS

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N/A

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 PI3K

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free base

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304645-61-2

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N/A

$$$$
WAY-614915
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (23)
23

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C14H14N4S

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P3452

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WAY-614915

>  <Synonyms> (23)
N/A

>  <Target> (23)
Casein kinase 1¦Ä

>  <Form> (23)
free base

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450394-66-8

>  <URL> (23)
N/A

$$$$
WAY-615029
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C14H15N3O4S

>  <MolWeight> (24)
321.3516

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P3453

>  <Name> (24)
WAY-615029

>  <Synonyms> (24)
N/A

>  <Target> (24)
Kinase

>  <Form> (24)
free base

>  <CAS> (24)
730945-59-2

>  <URL> (24)
N/A

$$$$
WAY-632613
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (25)
25

>  <Formula> (25)
C15H14N2O3S

>  <MolWeight> (25)
302.34826

>  <Cat> (25)
P3476

>  <Name> (25)
WAY-632613

>  <Synonyms> (25)
N/A

>  <Target> (25)
p38

>  <Form> (25)
free base

>  <CAS> (25)
731816-85-6

>  <URL> (25)
N/A

$$$$
WAY-632896
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C14H13N3OS

>  <MolWeight> (26)
271.33752

>  <Cat> (26)
P3477

>  <Name> (26)
WAY-632896

>  <Synonyms> (26)
N/A

>  <Target> (26)
CDK9,GSK-3

>  <Form> (26)
free base

>  <CAS> (26)
784170-07-6

>  <URL> (26)
N/A

$$$$
WAY-632963-A
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (27)
27

>  <Formula> (27)
C11H12ClN3O

>  <MolWeight> (27)
237.68548

>  <Cat> (27)
P3478

>  <Name> (27)
WAY-632963

>  <Synonyms> (27)
N/A

>  <Target> (27)
Aurora kinase A

>  <Form> (27)
free base

>  <CAS> (27)
900640-73-5

>  <URL> (27)
N/A

$$$$
WAY-633334
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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   -0.6583    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -1.5167    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  2  0  0  0  0
  6  8  2  0  0  0  0
  7  6  1  0  0  0  0
  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  2  0  0  0  0
 14 15  2  0  0  0  0
 15  6  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19  3  1  0  0  0  0
 20  2  1  0  0  0  0
 21  5  1  0  0  0  0
  3  5  1  0  0  0  0
  9  7  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C15H15N3O2S

>  <MolWeight> (28)
301.3635

>  <Cat> (28)
P3479

>  <Name> (28)
WAY-633334

>  <Synonyms> (28)
N/A

>  <Target> (28)
Casein kinase 1¦Ä

>  <Form> (28)
free base

>  <CAS> (28)
757224-44-5

>  <URL> (28)
N/A

$$$$
WAY-633877
csChFnd80/09262109422D

 29 34  0  0  0  0  0  0  0  0999 V2000
    0.3125   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -2.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2917    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3333    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    2.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  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> (29)
29

>  <Formula> (29)
C21H19N5O3

>  <MolWeight> (29)
389.40726

>  <Cat> (29)
P3480

>  <Name> (29)
WAY-633877

>  <Synonyms> (29)
N/A

>  <Target> (29)
Casein kinase 1¦Ä

>  <Form> (29)
free base

>  <CAS> (29)
782452-74-8

>  <URL> (29)
N/A

$$$$
WAY-652435
csChFnd80/09262109422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.5458    0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
  3  5  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C9H15N3O

>  <MolWeight> (30)
181.2349

>  <Cat> (30)
P3514

>  <Name> (30)
WAY-652435

>  <Synonyms> (30)
N/A

>  <Target> (30)
P2Y12,tankyrase,Aurora Kinase

>  <Form> (30)
free base

>  <CAS> (30)
173850-51-6

>  <URL> (30)
N/A

$$$$
WAY-652509
csChFnd80/09262109422D

 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
    6.4315    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4397    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8588    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8712    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8712    7.4823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0143    7.8878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7240    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2986    7.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5829    7.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7240    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5745    5.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5745    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7176    7.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2903    6.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7176    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0060    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  0  0  0  0
 15  9  1  0  0  0  0
 16  8  2  0  0  0  0
 17 10  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 14 13  1  0  0  0  0
  3  9  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C15H12ClN3

>  <MolWeight> (31)
269.72888

>  <Cat> (31)
P3515

>  <Name> (31)
WAY-652509

>  <Synonyms> (31)
N/A

>  <Target> (31)
quinone reductase 2,Casein kinase 1¦Ä

>  <Form> (31)
free base

>  <CAS> (31)
854355-54-7

>  <URL> (31)
N/A

$$$$
WAY-652641
csChFnd80/09262109422D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.7375   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3958   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  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
  9  2  2  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
  3  4  2  0  0  0  0
M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C9H14N2O3

>  <MolWeight> (32)
198.21906

>  <Cat> (32)
P3516

>  <Name> (32)
WAY-652641

>  <Synonyms> (32)
N/A

>  <Target> (32)
CDK

>  <Form> (32)
free base

>  <CAS> (32)
852851-73-1

>  <URL> (32)
N/A

$$$$
WAY-652848
csChFnd80/09262109422D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.3667   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4500    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6292    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    3.2458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    2.1083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    3.3083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  7  1  0  0  0  0
  9 11  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  2  0  0  0  0
 16  9  1  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
 19  4  1  0  0  0  0
 20 24  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
 13 12  2  0  0  0  0
 16 14  2  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C17H17F3N2O3

>  <MolWeight> (33)
354.3236896

>  <Cat> (33)
P3517

>  <Name> (33)
WAY-652848

>  <Synonyms> (33)
N/A

>  <Target> (33)
SRPK kinase 

>  <Form> (33)
free base

>  <CAS> (33)
848057-98-7

>  <URL> (33)
N/A

$$$$
WAY-653005
csChFnd80/09262109422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.2208    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5625   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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N/A

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others

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free base

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74190-66-2

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N/A

$$$$
WAY-271413
csChFnd80/09262109422D

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>  <Mol_ID> (35)
35

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C20H15N3O4S

>  <MolWeight> (35)
393.4158

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P3282

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WAY-271413

>  <Synonyms> (35)
N/A

>  <Target> (35)
GSK-3¦Â

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free base

>  <CAS> (35)
536731-65-4

>  <URL> (35)
N/A

$$$$
WAY-271999
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C11H7ClN2O3

>  <MolWeight> (36)
250.63788

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WAY-271999

>  <Synonyms> (36)
N/A

>  <Target> (36)
c-Met

>  <Form> (36)
free base

>  <CAS> (36)
147920-34-1

>  <URL> (36)
N/A

$$$$
WAY-272077
csChFnd80/09262109422D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (37)
37

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C14H14N2O3S

>  <MolWeight> (37)
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>  <Cat> (37)
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>  <Name> (37)
WAY-272077

>  <Synonyms> (37)
N/A

>  <Target> (37)
sphingosine kinase

>  <Form> (37)
free base

>  <CAS> (37)
1415662-57-5

>  <URL> (37)
N/A

$$$$
WAY-272130
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (38)
38

>  <Formula> (38)
C18H12N2O5S

>  <MolWeight> (38)
368.36328

>  <Cat> (38)
P3285

>  <Name> (38)
WAY-272130

>  <Synonyms> (38)
N/A

>  <Target> (38)
FGFR1

>  <Form> (38)
free base

>  <CAS> (38)
442534-83-0

>  <URL> (38)
N/A

$$$$
WAY-272324
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (39)
39

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C16H11NO5S

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WAY-272324

>  <Synonyms> (39)
N/A

>  <Target> (39)
 PI3K

>  <Form> (39)
free base

>  <CAS> (39)
900515-01-7

>  <URL> (39)
N/A

$$$$
WAY-272449
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C17H11ClN2O3S

>  <MolWeight> (40)
358.79884

>  <Cat> (40)
P3287

>  <Name> (40)
WAY-272449

>  <Synonyms> (40)
N/A

>  <Target> (40)
FGFR1

>  <Form> (40)
free base

>  <CAS> (40)
670266-26-9

>  <URL> (40)
N/A

$$$$
WAY-272589
csChFnd80/09262109422D

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 10  7  1  0  0  0  0
 11 17  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
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 18  5  2  0  0  0  0
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 20  8  1  0  0  0  0
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M  END
>  <Mol_ID> (41)
41

>  <Formula> (41)
C16H15N3O2S2

>  <MolWeight> (41)
345.4392

>  <Cat> (41)
P3288

>  <Name> (41)
WAY-272589

>  <Synonyms> (41)
N/A

>  <Target> (41)
pin1

>  <Form> (41)
free base

>  <CAS> (41)
637325-53-2

>  <URL> (41)
N/A

$$$$
WAY-320008
csChFnd80/09262109422D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 11 16  2  0  0  0  0
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M  END
>  <Mol_ID> (42)
42

>  <Formula> (42)
C20H16N4

>  <MolWeight> (42)
312.36784

>  <Cat> (42)
P3322

>  <Name> (42)
WAY-320008

>  <Synonyms> (42)
N/A

>  <Target> (42)
tropomyosin-related kinase a

>  <Form> (42)
free base

>  <CAS> (42)
128889-33-8

>  <URL> (42)
N/A

$$$$
WAY-320426
csChFnd80/09262109422D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (43)
43

>  <Formula> (43)
C14H14ClN3O2

>  <MolWeight> (43)
291.73286

>  <Cat> (43)
P3326

>  <Name> (43)
WAY-320426

>  <Synonyms> (43)
N/A

>  <Target> (43)
Anti-infection

>  <Form> (43)
free base

>  <CAS> (43)
312601-47-1

>  <URL> (43)
N/A

$$$$
WAY-635767
csChFnd80/09262109422D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (44)
44

>  <Formula> (44)
C12H12ClN3O

>  <MolWeight> (44)
249.69618

>  <Cat> (44)
P3488

>  <Name> (44)
WAY-635767

>  <Synonyms> (44)
N/A

>  <Target> (44)
Aurora kinase A

>  <Form> (44)
free base

>  <CAS> (44)
790232-33-6

>  <URL> (44)
N/A

$$$$
WAY-654447
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (45)
45

>  <Formula> (45)
C16H14N4O2

>  <MolWeight> (45)
294.30796

>  <Cat> (45)
P3519

>  <Name> (45)
WAY-654447

>  <Synonyms> (45)
N/A

>  <Target> (45)
FLT3,Androgen Receptor

>  <Form> (45)
free base

>  <CAS> (45)
852304-07-5

>  <URL> (45)
N/A

$$$$
CL-16859
csChFnd80/09262109422D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
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M  END
>  <Mol_ID> (46)
46

>  <Formula> (46)
C14H20N2O2

>  <MolWeight> (46)
248.3208

>  <Cat> (46)
P3254

>  <Name> (46)
CL-16859

>  <Synonyms> (46)
N/A

>  <Target> (46)
Anti-infection 

>  <Form> (46)
free base

>  <CAS> (46)
438025-86-6

>  <URL> (46)
N/A

$$$$
WAY-320706
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 21  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
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 17  7  1  0  0  0  0
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 18 14  2  0  0  0  0
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M  END
>  <Mol_ID> (47)
47

>  <Formula> (47)
C13H11ClN6OS2

>  <MolWeight> (47)
366.84904

>  <Cat> (47)
P3328

>  <Name> (47)
WAY-320706

>  <Synonyms> (47)
N/A

>  <Target> (47)
Anti-infection, ATOH-1

>  <Form> (47)
free base

>  <CAS> (47)
370092-42-5

>  <URL> (47)
N/A

$$$$
WAY-320774
csChFnd80/09262109422D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  8  4  2  0  0  0  0
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 10  3  1  0  0  0  0
 11 14  1  0  0  0  0
 12  8  1  0  0  0  0
 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
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 23 22  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (48)
48

>  <Formula> (48)
C19H16N4O2S

>  <MolWeight> (48)
364.42094

>  <Cat> (48)
P3329

>  <Name> (48)
WAY-320774

>  <Synonyms> (48)
N/A

>  <Target> (48)
Kanamycin Resistance Enzyme Eis

>  <Form> (48)
free base

>  <CAS> (48)
425653-38-9

>  <URL> (48)
N/A

$$$$
WAY-320951
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  6 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 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> (49)
49

>  <Formula> (49)
C14H11N3O4S

>  <MolWeight> (49)
317.31984

>  <Cat> (49)
P3330

>  <Name> (49)
WAY-320951

>  <Synonyms> (49)
N/A

>  <Target> (49)
Anti-infection

>  <Form> (49)
free base

>  <CAS> (49)
430444-03-4

>  <URL> (49)
N/A

$$$$
WAY-321002
csChFnd80/09262109422D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    0.2655    3.7717    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  4  1  0  0  0  0
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  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
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 10 14  1  0  0  0  0
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 21 24  2  0  0  0  0
  7  9  2  0  0  0  0
 11 14  2  0  0  0  0
 20 23  2  0  0  0  0
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M  END
>  <Mol_ID> (50)
50

>  <Formula> (50)
C20H16N4

>  <MolWeight> (50)
312.36784

>  <Cat> (50)
P3331

>  <Name> (50)
WAY-321002

>  <Synonyms> (50)
N/A

>  <Target> (50)
EGFR,PDE-5,TGF-¦Â,p38-¦Á,

>  <Form> (50)
free base

>  <CAS> (50)
166039-38-9

>  <URL> (50)
N/A

$$$$
WAY-321364
csChFnd80/09262109422D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (51)
51

>  <Formula> (51)
C21H17N3O4

>  <MolWeight> (51)
375.37738

>  <Cat> (51)
P3332

>  <Name> (51)
WAY-321364

>  <Synonyms> (51)
N/A

>  <Target> (51)
casein kinase 2

>  <Form> (51)
free base

>  <CAS> (51)
385389-39-9

>  <URL> (51)
N/A

$$$$
WAY-321366
csChFnd80/09262109422D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.7105    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6791   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4170    0.1172    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (52)
52

>  <Formula> (52)
C20H14ClN3O3

>  <MolWeight> (52)
379.79646

>  <Cat> (52)
P3333

>  <Name> (52)
WAY-321366

>  <Synonyms> (52)
N/A

>  <Target> (52)
tyrosine kinase

>  <Form> (52)
free base

>  <CAS> (52)
370854-75-4

>  <URL> (52)
N/A

$$$$
WAY-321582-A
csChFnd80/09262109422D

 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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    0.4310    0.1485    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
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 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> (53)
53

>  <Formula> (53)
C13H11N3O

>  <MolWeight> (53)
225.24594

>  <Cat> (53)
P3334

>  <Name> (53)
WAY-321582-A

>  <Synonyms> (53)
N/A

>  <Target> (53)
casein kinase 2

>  <Form> (53)
free base

>  <CAS> (53)
34116-16-0

>  <URL> (53)
N/A

$$$$
WAY-321873
csChFnd80/09262109422D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.2667    2.8708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2208    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  1  0  0  0  0
 10 20  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16  3  2  0  0  0  0
 17  5  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  2  0  0  0  0
 20 22  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 26  1  0  0  0  0
 24  8  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  2  0  0  0  0
 27 17  1  0  0  0  0
 28 17  2  0  0  0  0
 29 28  1  0  0  0  0
 30 27  2  0  0  0  0
 31 29  2  0  0  0  0
 21 20  1  0  0  0  0
 25 23  2  0  0  0  0
  7  4  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (54)
54

>  <Formula> (54)
C21H17N5O4S

>  <MolWeight> (54)
435.45578

>  <Cat> (54)
P3335

>  <Name> (54)
WAY-321873

>  <Synonyms> (54)
N/A

>  <Target> (54)
 GATA4-NKX2-5,AKT

>  <Form> (54)
free base

>  <CAS> (54)
547704-53-0

>  <URL> (54)
N/A

$$$$
WAY-321961
csChFnd80/09262109422D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (55)
55

>  <Formula> (55)
C12H11NO3

>  <MolWeight> (55)
217.22064

>  <Cat> (55)
P3336

>  <Name> (55)
WAY-321961

>  <Synonyms> (55)
N/A

>  <Target> (55)
protein kinase D

>  <Form> (55)
free base

>  <CAS> (55)
370586-05-3

>  <URL> (55)
N/A

$$$$
WAY-322545
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (56)
56

>  <Formula> (56)
C17H19ClN2O3

>  <MolWeight> (56)
334.79736

>  <Cat> (56)
P3337

>  <Name> (56)
WAY-322545

>  <Synonyms> (56)
N/A

>  <Target> (56)
GSK-3¦Á/¦Â

>  <Form> (56)
free base

>  <CAS> (56)
451449-70-0

>  <URL> (56)
N/A

$$$$
WAY-322940
csChFnd80/09262109422D

 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
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 10 15  2  0  0  0  0
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 12  9  1  0  0  0  0
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 17  6  2  0  0  0  0
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 22  8  1  0  0  0  0
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 13 18  1  0  0  0  0
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 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (57)
57

>  <Formula> (57)
C22H20N4O4S

>  <MolWeight> (57)
436.4836

>  <Cat> (57)
P3338

>  <Name> (57)
WAY-322940

>  <Synonyms> (57)
N/A

>  <Target> (57)
Rho 

>  <Form> (57)
free base

>  <CAS> (57)
445267-51-6

>  <URL> (57)
N/A

$$$$
WAY-604116
csChFnd80/09262109422D

 20 23  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (58)
58

>  <Formula> (58)
C17H22N2O

>  <MolWeight> (58)
270.36938

>  <Cat> (58)
P3436

>  <Name> (58)
WAY-604116

>  <Synonyms> (58)
N/A

>  <Target> (58)
sphingosine kinase,11¦Â-hydroxysteroid dehyd

>  <Form> (58)
free base

>  <CAS> (58)
121768-39-6

>  <URL> (58)
N/A

$$$$
WAY-603610
csChFnd80/09262109422D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
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 17  7  2  0  0  0  0
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 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (59)
59

>  <Formula> (59)
C17H19N3OS

>  <MolWeight> (59)
313.41726

>  <Cat> (59)
P3434

>  <Name> (59)
WAY-603610

>  <Synonyms> (59)
N/A

>  <Target> (59)
GSK3

>  <Form> (59)
free base

>  <CAS> (59)
380450-97-5

>  <URL> (59)
N/A

$$$$
WAY-603814
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.6589   -0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (60)
60

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C16H13ClN2O3

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316.73902

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P3435

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WAY-603814

>  <Synonyms> (60)
N/A

>  <Target> (60)
FGFR1, HSP 90 

>  <Form> (60)
free base

>  <CAS> (60)
308298-51-3

>  <URL> (60)
N/A

$$$$
WAY-636900
csChFnd80/09262109422D

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 17  4  2  0  0  0  0
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 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (61)
61

>  <Formula> (61)
C20H20N4O5S

>  <MolWeight> (61)
428.4616

>  <Cat> (61)
P3489

>  <Name> (61)
WAY-636900

>  <Synonyms> (61)
N/A

>  <Target> (61)
Aurora kinase A

>  <Form> (61)
free base

>  <CAS> (61)
792965-51-6

>  <URL> (61)
N/A

$$$$
WAY-636982
csChFnd80/09262109422D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  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
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 11 14  1  0  0  0  0
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M  END
>  <Mol_ID> (62)
62

>  <Formula> (62)
C10H14N2O4

>  <MolWeight> (62)
226.22916

>  <Cat> (62)
P3490

>  <Name> (62)
WAY-636982

>  <Synonyms> (62)
N/A

>  <Target> (62)
Aurora kinase A

>  <Form> (62)
free base

>  <CAS> (62)
834-45-7

>  <URL> (62)
N/A

$$$$
WAY-637081
csChFnd80/09262109422D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11  8  2  0  0  0  0
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 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 19  1  0  0  0  0
 18 15  1  0  0  0  0
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 21  6  1  0  0  0  0
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 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (63)
63

>  <Formula> (63)
C17H11ClN4O2

>  <MolWeight> (63)
338.74784

>  <Cat> (63)
P3491

>  <Name> (63)
WAY-637081

>  <Synonyms> (63)
N/A

>  <Target> (63)
VEGFR2,Casein kinase 1d

>  <Form> (63)
free base

>  <CAS> (63)
793722-88-0

>  <URL> (63)
N/A

$$$$
WAY-637493
csChFnd80/09262109422D

 25 29  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 21  1  0  0  0  0
 15 13  1  0  0  0  0
 16  2  1  0  0  0  0
 17  6  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20  9  1  0  0  0  0
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 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  2  0  0  0  0
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 12 11  2  0  0  0  0
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 14 13  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (64)
64

>  <Formula> (64)
C18H14N4O3

>  <MolWeight> (64)
334.32876

>  <Cat> (64)
P3492

>  <Name> (64)
WAY-637493

>  <Synonyms> (64)
N/A

>  <Target> (64)
Fyn

>  <Form> (64)
free base

>  <CAS> (64)
791600-64-1

>  <URL> (64)
N/A

$$$$
WAY-637845
csChFnd80/09262109422D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (65)
65

>  <Formula> (65)
C10H10INO

>  <MolWeight> (65)
287.09697

>  <Cat> (65)
P3493

>  <Name> (65)
WAY-637845

>  <Synonyms> (65)
N/A

>  <Target> (65)
others

>  <Form> (65)
free base

>  <CAS> (65)
794539-14-3

>  <URL> (65)
N/A

$$$$
WAY-655860
csChFnd80/09262109422D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (66)
66

>  <Formula> (66)
C13H11N3S

>  <MolWeight> (66)
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>  <Name> (66)
WAY-655860

>  <Synonyms> (66)
N/A

>  <Target> (66)
B-Raf

>  <Form> (66)
free base

>  <CAS> (66)
63895-45-4

>  <URL> (66)
N/A

$$$$
WAY-655978
csChFnd80/09262109422D

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>  <Mol_ID> (67)
67

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C16H12ClN3OS

>  <MolWeight> (67)
329.80398

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P3521

>  <Name> (67)
WAY-655978

>  <Synonyms> (67)
N/A

>  <Target> (67)
ROCK, ERK, GSK, and AGC

>  <Form> (67)
free base

>  <CAS> (67)
692869-98-0

>  <URL> (67)
N/A

$$$$
WAY-656283
csChFnd80/09262109422D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (68)
68

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C12H11NO3S

>  <MolWeight> (68)
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>  <Cat> (68)
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>  <Name> (68)
WAY-656283

>  <Synonyms> (68)
N/A

>  <Target> (68)
p38

>  <Form> (68)
free base

>  <CAS> (68)
263270-62-8

>  <URL> (68)
N/A

$$$$
WAY-656935
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (69)
69

>  <Formula> (69)
C17H15N3O2S

>  <MolWeight> (69)
325.3849

>  <Cat> (69)
P3523

>  <Name> (69)
WAY-656935

>  <Synonyms> (69)
N/A

>  <Target> (69)
 ROCK, ERK, GSK, and AGC 

>  <Form> (69)
free base

>  <CAS> (69)
852902-81-9

>  <URL> (69)
N/A

$$$$
WAY-657460
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (70)
70

>  <Formula> (70)
C17H15N3O2S

>  <MolWeight> (70)
325.3849

>  <Cat> (70)
P3524

>  <Name> (70)
WAY-657460

>  <Synonyms> (70)
N/A

>  <Target> (70)
 ROCK, ERK, GSK, and AGC 

>  <Form> (70)
free base

>  <CAS> (70)
853325-19-6

>  <URL> (70)
N/A

$$$$
WAY-323534
csChFnd80/09262109422D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (71)
71

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>  <Synonyms> (71)
N/A

>  <Target> (71)
PASK

>  <Form> (71)
free base

>  <CAS> (71)
854040-96-3

>  <URL> (71)
N/A

$$$$
WAY-323878-A
csChFnd80/09262109422D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (72)
72

>  <Formula> (72)
C16H14N2O

>  <MolWeight> (72)
250.29516

>  <Cat> (72)
P3340

>  <Name> (72)
WAY-323878-A

>  <Synonyms> (72)
N/A

>  <Target> (72)
CDK

>  <Form> (72)
free base

>  <CAS> (72)
1185726-51-5

>  <URL> (72)
N/A

$$$$
WAY-323879
csChFnd80/09262109422D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (73)
73

>  <Formula> (73)
C15H14N2O

>  <MolWeight> (73)
238.28446

>  <Cat> (73)
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>  <Name> (73)
WAY-323879

>  <Synonyms> (73)
N/A

>  <Target> (73)
CDK

>  <Form> (73)
free base

>  <CAS> (73)
685097-43-2

>  <URL> (73)
N/A

$$$$
WAY-324418
csChFnd80/09262109422D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (74)
74

>  <Formula> (74)
C11H10N4O2S

>  <MolWeight> (74)
262.2877

>  <Cat> (74)
P3342

>  <Name> (74)
WAY-324418

>  <Synonyms> (74)
N/A

>  <Target> (74)
Anti-infection

>  <Form> (74)
free base

>  <CAS> (74)
681838-49-3

>  <URL> (74)
N/A

$$$$
WAY-324420
csChFnd80/09262109422D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (75)
75

>  <Formula> (75)
C12H12N4O2S

>  <MolWeight> (75)
276.31428

>  <Cat> (75)
P3343

>  <Name> (75)
WAY-324420

>  <Synonyms> (75)
N/A

>  <Target> (75)
Anti-infection

>  <Form> (75)
free base

>  <CAS> (75)
681838-50-6

>  <URL> (75)
N/A

$$$$
WAY-324709
csChFnd80/09262109422D

 21 24  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> (76)
76

>  <Formula> (76)
C15H9FN2O3

>  <MolWeight> (76)
284.2419632

>  <Cat> (76)
P3344

>  <Name> (76)
WAY-324709

>  <Synonyms> (76)
N/A

>  <Target> (76)
ATP-kinase

>  <Form> (76)
free base

>  <CAS> (76)
69785-85-9

>  <URL> (76)
N/A

$$$$
WAY-325065
csChFnd80/09262109422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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MtSk

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free base

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689762-76-3

>  <URL> (77)
N/A

$$$$
WAY-325185
csChFnd80/09262109422D

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>  <Mol_ID> (78)
78

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C17H21N5O3

>  <MolWeight> (78)
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P3346

>  <Name> (78)
WAY-325185

>  <Synonyms> (78)
N/A

>  <Target> (78)
VEGFR

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free base

>  <CAS> (78)
342785-98-2

>  <URL> (78)
N/A

$$$$
WAY-606344
csChFnd80/09262109422D

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>  <Mol_ID> (79)
79

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285.68522

>  <Cat> (79)
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WAY-606344

>  <Synonyms> (79)
N/A

>  <Target> (79)
Casein kinase 1d

>  <Form> (79)
free base

>  <CAS> (79)
380423-28-9

>  <URL> (79)
N/A

$$$$
WAY-606954
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (80)
80

>  <Formula> (80)
C18H20N4O

>  <MolWeight> (80)
308.3776

>  <Cat> (80)
P3438

>  <Name> (80)
WAY-606954

>  <Synonyms> (80)
N/A

>  <Target> (80)
GSK3

>  <Form> (80)
free base

>  <CAS> (80)
748145-12-2

>  <URL> (80)
N/A

$$$$
WAY-606956
csChFnd80/09262109422D

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>  <Mol_ID> (81)
81

>  <Formula> (81)
C18H20N4O

>  <MolWeight> (81)
308.3776

>  <Cat> (81)
P3439

>  <Name> (81)
WAY-606956

>  <Synonyms> (81)
N/A

>  <Target> (81)
GSK3

>  <Form> (81)
free base

>  <CAS> (81)
748145-19-9

>  <URL> (81)
N/A

$$$$
WAY-606957
csChFnd80/09262109422D

 23 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (82)
82

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308.3776

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WAY-606957

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N/A

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GSK3

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free base

>  <CAS> (82)
1062138-03-7

>  <URL> (82)
N/A

$$$$
WAY-606958
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (83)
83

>  <Formula> (83)
C23H23N5O

>  <MolWeight> (83)
385.46162

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P3441

>  <Name> (83)
WAY-606958

>  <Synonyms> (83)
N/A

>  <Target> (83)
Casein kinase 1¦Ä

>  <Form> (83)
free base

>  <CAS> (83)
882220-11-3

>  <URL> (83)
N/A

$$$$
WAY-297342
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (84)
84

>  <Formula> (84)
C15H15N3O2S

>  <MolWeight> (84)
301.3635

>  <Cat> (84)
P3298

>  <Name> (84)
WAY-297342

>  <Synonyms> (84)
N/A

>  <Target> (84)
Anti-infection,FLT3,SirT1,ATP-utilizing enzy

>  <Form> (84)
free base

>  <CAS> (84)
298207-49-5

>  <URL> (84)
N/A

$$$$
WAY-297629
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (85)
85

>  <Formula> (85)
C21H18N2O3

>  <MolWeight> (85)
346.37922

>  <Cat> (85)
P3299

>  <Name> (85)
WAY-297629

>  <Synonyms> (85)
N/A

>  <Target> (85)
VEGFR2

>  <Form> (85)
free base

>  <CAS> (85)
371213-22-8

>  <URL> (85)
N/A

$$$$
GI-569525
csChFnd80/09262109422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (86)
86

>  <Formula> (86)
C18H17NO4S

>  <MolWeight> (86)
343.39688

>  <Cat> (86)
P3260

>  <Name> (86)
GI-569525

>  <Synonyms> (86)
N/A

>  <Target> (86)
Anti-infection

>  <Form> (86)
free base

>  <CAS> (86)
96334-43-9

>  <URL> (86)
N/A

$$$$
WAY-298041
csChFnd80/09262109422D

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  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> (87)
87

>  <Formula> (87)
C17H15N3O2

>  <MolWeight> (87)
293.3199

>  <Cat> (87)
P3300

>  <Name> (87)
WAY-298041

>  <Synonyms> (87)
N/A

>  <Target> (87)
c-Met

>  <Form> (87)
free base

>  <CAS> (87)
299405-67-7

>  <URL> (87)
N/A

$$$$
WAY-298350
csChFnd80/09262109422D

 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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   11.7420   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6620   -7.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5890   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -5.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1450  -10.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400   -7.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
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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> (88)
88

>  <Formula> (88)
C17H17NO3

>  <MolWeight> (88)
283.32178

>  <Cat> (88)
P3301

>  <Name> (88)
WAY-298350

>  <Synonyms> (88)
N/A

>  <Target> (88)
A kinase anchor protein/protein kinase A int

>  <Form> (88)
free base

>  <CAS> (88)
304888-67-3

>  <URL> (88)
N/A

$$$$
WAY-298516
csChFnd80/09262109422D

 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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    3.2055    1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5331    2.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7910   -0.7232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  7  9  1  0  0  0  0
 12 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C14H13ClN2O3

>  <MolWeight> (89)
292.71762

>  <Cat> (89)
P3302

>  <Name> (89)
WAY-298516

>  <Synonyms> (89)
N/A

>  <Target> (89)
Androgen Receptor,RAD51,GSK-3

>  <Form> (89)
free base

>  <CAS> (89)
103056-35-5

>  <URL> (89)
N/A

$$$$
WAY-298668
csChFnd80/09262109422D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.9483   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483   -0.8621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483   -0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931   -0.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9207    2.1034    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
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 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
 15 17  2  0  0  0  0
 15 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
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 21 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
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
 20 22  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (90)
90

>  <Formula> (90)
C22H23N5O3

>  <MolWeight> (90)
405.44972

>  <Cat> (90)
P3303

>  <Name> (90)
WAY-298668

>  <Synonyms> (90)
N/A

>  <Target> (90)
Aurora-A,JAMM protease

>  <Form> (90)
free base

>  <CAS> (90)
371224-09-8

>  <URL> (90)
N/A

$$$$
WAY-607324
csChFnd80/09262109422D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.6042   -0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9083    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8542   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14 16  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  2  0  0  0  0
 17 19  1  0  0  0  0
 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> (91)
91

>  <Formula> (91)
C13H8N2O2S2

>  <MolWeight> (91)
288.34482

>  <Cat> (91)
P3442

>  <Name> (91)
WAY-607324

>  <Synonyms> (91)
N/A

>  <Target> (91)
Mcl-1,ASK1

>  <Form> (91)
free base

>  <CAS> (91)
1427537-92-5

>  <URL> (91)
N/A

$$$$
WAY-607500
csChFnd80/09262109422D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.1750    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7833   -1.9625    0.0000 N   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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 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
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 22 18  2  0  0  0  0
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  8 12  1  0  0  0  0
 23 19  2  0  0  0  0
 11 21  1  0  0  0  0
M  END
>  <Mol_ID> (92)
92

>  <Formula> (92)
C19H18N2O2

>  <MolWeight> (92)
306.35842

>  <Cat> (92)
P3443

>  <Name> (92)
WAY-607500

>  <Synonyms> (92)
N/A

>  <Target> (92)
VEGFR

>  <Form> (92)
free base

>  <CAS> (92)
186610-88-8

>  <URL> (92)
N/A

$$$$
WAY-607738
csChFnd80/09262109422D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
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 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  2  0  0  0  0
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 16  4  2  0  0  0  0
 17  6  2  0  0  0  0
 18 13  1  0  0  0  0
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 32 30  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (93)
93

>  <Formula> (93)
C22H18N4O6

>  <MolWeight> (93)
434.40152

>  <Cat> (93)
P3444

>  <Name> (93)
WAY-607738

>  <Synonyms> (93)
N/A

>  <Target> (93)
Mcl-1,mitogen-activated protein kinase phosp

>  <Form> (93)
free base

>  <CAS> (93)
522624-94-8

>  <URL> (93)
N/A

$$$$
WAY-607777
csChFnd80/09262109422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
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  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
 13 20  2  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17  5  1  0  0  0  0
 18 15  1  0  0  0  0
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 23 17  2  0  0  0  0
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 13 21  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (94)
94

>  <Formula> (94)
C16H12ClN3O2S2

>  <MolWeight> (94)
377.86838

>  <Cat> (94)
P3445

>  <Name> (94)
WAY-607777

>  <Synonyms> (94)
N/A

>  <Target> (94)
Casein kinase 1d

>  <Form> (94)
free base

>  <CAS> (94)
522626-08-0

>  <URL> (94)
N/A

$$$$
WAY-619275
csChFnd80/09262109422D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.9167    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7000    0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  2  0  0  0  0
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 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
  6  9  1  0  0  0  0
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 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C12H11N5O

>  <MolWeight> (95)
241.24864

>  <Cat> (95)
P3457

>  <Name> (95)
WAY-619275

>  <Synonyms> (95)
N/A

>  <Target> (95)
Plk1 kinase,EphB2

>  <Form> (95)
free base

>  <CAS> (95)
73663-97-5

>  <URL> (95)
N/A

$$$$
WAY-619999
csChFnd80/09262109422D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -4.4292    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0000    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6958    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4333   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11 17  2  0  0  0  0
 12 11  1  0  0  0  0
 13  2  2  0  0  0  0
 14 24  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  2  0  0  0  0
 17 31  1  0  0  0  0
 18  7  2  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22  1  1  0  0  0  0
 23 27  1  0  0  0  0
 24 15  1  0  0  0  0
 25 11  1  0  0  0  0
 26  5  1  0  0  0  0
 27 21  2  0  0  0  0
 28 23  1  0  0  0  0
 29 20  1  0  0  0  0
 30 22  1  0  0  0  0
 31 29  1  0  0  0  0
 30 26  1  0  0  0  0
  3  6  2  0  0  0  0
 10 16  1  0  0  0  0
 12 23  2  0  0  0  0
M  END
>  <Mol_ID> (96)
96

>  <Formula> (96)
C22H19Cl2N3O4

>  <MolWeight> (96)
460.30996

>  <Cat> (96)
P3458

>  <Name> (96)
WAY-619999

>  <Synonyms> (96)
N/A

>  <Target> (96)
CK2,GSK3¦Â

>  <Form> (96)
free base

>  <CAS> (96)
736932-33-5

>  <URL> (96)
N/A

$$$$
WAY-620099
csChFnd80/09262109422D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.5875    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
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 18 16  2  0  0  0  0
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 20 15  1  0  0  0  0
  9  8  2  0  0  0  0
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 20 19  1  0  0  0  0
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M  END
>  <Mol_ID> (97)
97

>  <Formula> (97)
C15H12ClN3S

>  <MolWeight> (97)
301.79388

>  <Cat> (97)
P3459

>  <Name> (97)
WAY-620099

>  <Synonyms> (97)
N/A

>  <Target> (97)
tyrosine kinase,PI3K,phosphodiesterase V

>  <Form> (97)
free base

>  <CAS> (97)
128277-24-7

>  <URL> (97)
N/A

$$$$
WAY-620147
csChFnd80/09262109422D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    1.1525   -0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4023    0.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
  4  5  1  0  0  0  0
  7  9  1  0  0  0  0
  2  3  1  0  0  0  0
  9 10  1  0  0  0  0
  5  6  2  0  0  0  0
 10 11  1  0  0  0  0
  6  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  3  4  2  0  0  0  0
 12 17  1  0  0  0  0
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 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> (98)
98

>  <Formula> (98)
C12H16BrN3O2

>  <MolWeight> (98)
314.17834

>  <Cat> (98)
P3460

>  <Name> (98)
WAY-620147

>  <Synonyms> (98)
N/A

>  <Target> (98)
monoamine oxidase a

>  <Form> (98)
free base

>  <CAS> (98)
515866-67-8

>  <URL> (98)
N/A

$$$$
WAY-638641
csChFnd80/09262109422D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    2.2167   -1.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8042   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 17  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10 21  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18  4  1  0  0  0  0
 19  8  2  0  0  0  0
 20  4  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 15  1  0  0  0  0
 24 22  1  0  0  0  0
 25 18  1  0  0  0  0
  4  5  1  0  0  0  0
 16 25  1  0  0  0  0
 10  7  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (99)
99

>  <Formula> (99)
C16H17N3O5S

>  <MolWeight> (99)
363.38828

>  <Cat> (99)
P3494

>  <Name> (99)
WAY-638641

>  <Synonyms> (99)
N/A

>  <Target> (99)
Aurora kinase A

>  <Form> (99)
free base

>  <CAS> (99)
796068-62-7

>  <URL> (99)
N/A

$$$$
WAY-638796
csChFnd80/09262109422D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.4500    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6000   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 19  1  0  0  0  0
 19 16  2  0  0  0  0
  8  9  2  0  0  0  0
  5  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
M  END
>  <Mol_ID> (100)
100

>  <Formula> (100)
C14H10ClN3S

>  <MolWeight> (100)
287.7673

>  <Cat> (100)
P3495

>  <Name> (100)
WAY-638796

>  <Synonyms> (100)
N/A

>  <Target> (100)
tyrosine kinase

>  <Form> (100)
free base

>  <CAS> (100)
796067-64-6

>  <URL> (100)
N/A

$$$$
WAY-639405
csChFnd80/09262109422D

 28 32  0  0  0  0  0  0  0  0999 V2000
    0.9917    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1458    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 21  1  0  0  0  0
 21 11  1  0  0  0  0
 22 10  2  0  0  0  0
 23 20  1  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 28  1  0  0  0  0
 28 26  2  0  0  0  0
  8  9  2  0  0  0  0
  5  3  2  0  0  0  0
 27 18  2  0  0  0  0
 13 12  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (101)
101

>  <Formula> (101)
C21H18N4O2S

>  <MolWeight> (101)
390.45822

>  <Cat> (101)
P3496

>  <Name> (101)
WAY-639405

>  <Synonyms> (101)
N/A

>  <Target> (101)
tyrosine kinase,phosphodiesterase V

>  <Form> (101)
free base

>  <CAS> (101)
796052-04-5

>  <URL> (101)
N/A

$$$$
WAY-658341
csChFnd80/09262109422D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   -1.5750    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5750    1.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7958    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4750   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10 12  2  0  0  0  0
 11  3  1  0  0  0  0
 12 16  1  0  0  0  0
 13  2  1  0  0  0  0
 14 11  2  0  0  0  0
 15  9  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19  9  1  0  0  0  0
 20 15  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
 24 18  2  0  0  0  0
 25 19  2  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
  4  6  1  0  0  0  0
 28 22  2  0  0  0  0
  3  7  2  0  0  0  0
 27 21  2  0  0  0  0
M  END
>  <Mol_ID> (102)
102

>  <Formula> (102)
C18H15BrN6O2S

>  <MolWeight> (102)
459.3197

>  <Cat> (102)
P3525

>  <Name> (102)
WAY-658341

>  <Synonyms> (102)
N/A

>  <Target> (102)
Casein kinase 1d

>  <Form> (102)
free base

>  <CAS> (102)
849012-74-4

>  <URL> (102)
N/A

$$$$
WAY-658513
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
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M  END
>  <Mol_ID> (103)
103

>  <Formula> (103)
C16H11ClFN3OS

>  <MolWeight> (103)
347.7944432

>  <Cat> (103)
P3526

>  <Name> (103)
WAY-658513

>  <Synonyms> (103)
N/A

>  <Target> (103)
ROCK, ERK, GSK, and AGC

>  <Form> (103)
free base

>  <CAS> (103)
692870-25-0

>  <URL> (103)
N/A

$$$$
WAY-326250
csChFnd80/09262109422D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
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 15 11  1  0  0  0  0
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 22 18  1  0  0  0  0
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 16 14  2  0  0  0  0
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M  END
>  <Mol_ID> (104)
104

>  <Formula> (104)
C15H13N5OS

>  <MolWeight> (104)
311.36162

>  <Cat> (104)
P3351

>  <Name> (104)
WAY-326250

>  <Synonyms> (104)
N/A

>  <Target> (104)
shikimate kinase

>  <Form> (104)
free base

>  <CAS> (104)
869872-13-9

>  <URL> (104)
N/A

$$$$
WAY-326542
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  8  2  1  0  0  0  0
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 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> (105)
105

>  <Formula> (105)
C16H15NO3S

>  <MolWeight> (105)
301.3602

>  <Cat> (105)
P3352

>  <Name> (105)
WAY-326542

>  <Synonyms> (105)
N/A

>  <Target> (105)
CDK5/p25

>  <Form> (105)
free base

>  <CAS> (105)
870983-04-3

>  <URL> (105)
N/A

$$$$
WAY-326578
csChFnd80/09262109422D

 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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 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
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 22 18  1  0  0  0  0
  7  3  1  0  0  0  0
  6  9  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (106)
106

>  <Formula> (106)
C16H16N2O3S

>  <MolWeight> (106)
316.37484

>  <Cat> (106)
P3353

>  <Name> (106)
WAY-326578

>  <Synonyms> (106)
N/A

>  <Target> (106)
GSK-3b

>  <Form> (106)
free base

>  <CAS> (106)
870984-34-2

>  <URL> (106)
N/A

$$$$
WAY-326890
csChFnd80/09262109422D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
 11  1  2  0  0  0  0
 12  8  2  0  0  0  0
 13  3  1  0  0  0  0
 14 13  1  0  0  0  0
 15  3  2  0  0  0  0
 16  3  2  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
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 21  8  1  0  0  0  0
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 18  6  1  0  0  0  0
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 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (107)
107

>  <Formula> (107)
C17H17N3O3S2

>  <MolWeight> (107)
375.46518

>  <Cat> (107)
P3354

>  <Name> (107)
WAY-326890

>  <Synonyms> (107)
N/A

>  <Target> (107)
Others

>  <Form> (107)
free base

>  <CAS> (107)
685865-67-2

>  <URL> (107)
N/A

$$$$
WAY-326891
csChFnd80/09262109422D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C17H17N3O3S2

>  <MolWeight> (108)
375.46518

>  <Cat> (108)
P3355

>  <Name> (108)
WAY-326891

>  <Synonyms> (108)
N/A

>  <Target> (108)
kinase

>  <Form> (108)
free base

>  <CAS> (108)
685865-71-8

>  <URL> (108)
N/A

$$$$
WAY-326892
csChFnd80/09262109422D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 11  3  1  0  0  0  0
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 13  8  1  0  0  0  0
 14  3  2  0  0  0  0
 15  3  2  0  0  0  0
 16 10  1  0  0  0  0
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 18  9  2  0  0  0  0
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M  END
>  <Mol_ID> (109)
109

>  <Formula> (109)
C17H17N3O3S2

>  <MolWeight> (109)
375.46518

>  <Cat> (109)
P3356

>  <Name> (109)
WAY-326892

>  <Synonyms> (109)
N/A

>  <Target> (109)
kinase

>  <Form> (109)
free base

>  <CAS> (109)
685865-72-9

>  <URL> (109)
N/A

$$$$
WAY-326893
csChFnd80/09262109422D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 12  3  2  0  0  0  0
 13  3  2  0  0  0  0
 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  2  0  0  0  0
 17  8  2  0  0  0  0
 18 15  1  0  0  0  0
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 16  6  1  0  0  0  0
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M  END
>  <Mol_ID> (110)
110

>  <Formula> (110)
C17H17N3O3S2

>  <MolWeight> (110)
375.46518

>  <Cat> (110)
P3357

>  <Name> (110)
WAY-326893

>  <Synonyms> (110)
N/A

>  <Target> (110)
Others

>  <Form> (110)
free base

>  <CAS> (110)
685865-73-0

>  <URL> (110)
N/A

$$$$
WAY-326894
csChFnd80/09262109422D

 24 26  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> (111)
111

>  <Formula> (111)
C15H12FN3O3S2

>  <MolWeight> (111)
365.4024832

>  <Cat> (111)
P3358

>  <Name> (111)
WAY-326894

>  <Synonyms> (111)
N/A

>  <Target> (111)
kinase

>  <Form> (111)
free base

>  <CAS> (111)
685865-75-2

>  <URL> (111)
N/A

$$$$
WAY-327480
csChFnd80/09262109422D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (112)
112

>  <Formula> (112)
C22H19N3O3S2

>  <MolWeight> (112)
437.53456

>  <Cat> (112)
P3359

>  <Name> (112)
WAY-327480

>  <Synonyms> (112)
N/A

>  <Target> (112)
ROS

>  <Form> (112)
free base

>  <CAS> (112)
687576-28-9

>  <URL> (112)
N/A

$$$$
WAY-328158
csChFnd80/09262109422D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
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  7  1  1  0  0  0  0
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  9  4  1  0  0  0  0
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 17 14  2  0  0  0  0
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 20 22  1  0  0  0  0
 21  5  1  0  0  0  0
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M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C19H16FN3O3S

>  <MolWeight> (113)
385.4120432

>  <Cat> (113)
P3360

>  <Name> (113)
WAY-328158

>  <Synonyms> (113)
N/A

>  <Target> (113)
BCR-ABL

>  <Form> (113)
free base

>  <CAS> (113)
688050-42-2

>  <URL> (113)
N/A

$$$$
WAY-621129
csChFnd80/09262109422D

 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 10  2  0  0  0  0
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M  END
>  <Mol_ID> (114)
114

>  <Formula> (114)
C16H12O4

>  <MolWeight> (114)
268.26408

>  <Cat> (114)
P3461

>  <Name> (114)
WAY-621129

>  <Synonyms> (114)
N/A

>  <Target> (114)
SIRT6,BCRP/ABCG2,CK2,HIV-1 protease,CDK

>  <Form> (114)
free base

>  <CAS> (114)
6889-78-7

>  <URL> (114)
N/A

$$$$
WAY-621555
csChFnd80/09262109422D

 27 31  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  7  1  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
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 24 18  1  0  0  0  0
 25 24  2  0  0  0  0
 26 22  1  0  0  0  0
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  9  4  2  0  0  0  0
 10  8  2  0  0  0  0
 21 26  2  0  0  0  0
 27 20  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (115)
115

>  <Formula> (115)
C22H21N5

>  <MolWeight> (115)
355.43564

>  <Cat> (115)
P3462

>  <Name> (115)
WAY-621555

>  <Synonyms> (115)
N/A

>  <Target> (115)
Casein kinase 1¦Ä

>  <Form> (115)
free base

>  <CAS> (115)
956753-89-2

>  <URL> (115)
N/A

$$$$
WAY-621640
csChFnd80/09262109422D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  2  6  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11 12  2  0  0  0  0
 12  2  1  0  0  0  0
 13 14  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  2  0  0  0  0
 16  4  2  0  0  0  0
 17  1  1  0  0  0  0
 18  5  1  0  0  0  0
 19 17  1  0  0  0  0
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  3  7  2  0  0  0  0
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M  END
>  <Mol_ID> (116)
116

>  <Formula> (116)
C17H15N3O2S

>  <MolWeight> (116)
325.3849

>  <Cat> (116)
P3463

>  <Name> (116)
WAY-621640

>  <Synonyms> (116)
N/A

>  <Target> (116)
Casein kinase 1¦Ä

>  <Form> (116)
free base

>  <CAS> (116)
742113-71-9

>  <URL> (116)
N/A

$$$$
WAY-621856
csChFnd80/09262109422D

 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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 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
 14  9  2  0  0  0  0
 15  7  1  0  0  0  0
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 18 22  1  0  0  0  0
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M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C16H9N5O3S

>  <MolWeight> (117)
351.33936

>  <Cat> (117)
P3464

>  <Name> (117)
WAY-621856

>  <Synonyms> (117)
N/A

>  <Target> (117)
FGFR

>  <Form> (117)
free base

>  <CAS> (117)
606958-57-0

>  <URL> (117)
N/A

$$$$
WAY-639932
csChFnd80/09262109422D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  2  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15 11  2  0  0  0  0
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 19 17  2  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C17H12N4S2

>  <MolWeight> (118)
336.43398

>  <Cat> (118)
P3497

>  <Name> (118)
WAY-639932

>  <Synonyms> (118)
N/A

>  <Target> (118)
Casein kinase 1¦Ä

>  <Form> (118)
free base

>  <CAS> (118)
851467-69-1

>  <URL> (118)
N/A

$$$$
WAY-660114
csChFnd80/09262109422D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  7  5  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
 14 16  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  2  0  0  0  0
 17 15  1  0  0  0  0
 18 15  2  0  0  0  0
 19  2  1  0  0  0  0
 20 21  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 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> (119)
119

>  <Formula> (119)
C14H9FN6S2

>  <MolWeight> (119)
344.3898632

>  <Cat> (119)
P3527

>  <Name> (119)
WAY-660114

>  <Synonyms> (119)
N/A

>  <Target> (119)
kinase

>  <Form> (119)
free base

>  <CAS> (119)
871317-00-9

>  <URL> (119)
N/A

$$$$
WAY-660222
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 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
 19 15  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 20 16  2  0  0  0  0
 10  6  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (120)
120

>  <Formula> (120)
C19H13FO

>  <MolWeight> (120)
276.3043232

>  <Cat> (120)
P3528

>  <Name> (120)
WAY-660222

>  <Synonyms> (120)
N/A

>  <Target> (120)
EGFR

>  <Form> (120)
free base

>  <CAS> (120)
867294-23-3

>  <URL> (120)
N/A

$$$$
WAY-660667
csChFnd80/09262109422D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  7  9  1  0  0  0  0
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 10  3  1  0  0  0  0
 11 12  2  0  0  0  0
 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 10  1  0  0  0  0
 19 22  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 18  1  0  0  0  0
 23 21  1  0  0  0  0
 24 20  2  0  0  0  0
 25 23  2  0  0  0  0
  3  5  2  0  0  0  0
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 11 10  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C17H17N5O3

>  <MolWeight> (121)
339.34858

>  <Cat> (121)
P3529

>  <Name> (121)
WAY-660667

>  <Synonyms> (121)
N/A

>  <Target> (121)
ROS

>  <Form> (121)
free base

>  <CAS> (121)
871218-26-7

>  <URL> (121)
N/A

$$$$
WAY-661516
csChFnd80/09262109422D

 25 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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  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
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 10 20  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 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
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 21  9  1  0  0  0  0
 22 17  2  0  0  0  0
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 24  5  1  0  0  0  0
 25  5  1  0  0  0  0
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 19 12  2  0  0  0  0
M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C15H15ClFN3O5

>  <MolWeight> (122)
371.7481032

>  <Cat> (122)
P3530

>  <Name> (122)
WAY-661516

>  <Synonyms> (122)
N/A

>  <Target> (122)
Aurora kinase A

>  <Form> (122)
free base

>  <CAS> (122)
875163-98-7

>  <URL> (122)
N/A

$$$$
CL-230482
csChFnd80/09262109422D

 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
    0.1314    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2107   -0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2306   -0.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4789   -0.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4107    0.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0582    0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4789   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7203   -0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4901    0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0314    0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7203   -0.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2004    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (123)
123

>  <Formula> (123)
C15H12N2O

>  <MolWeight> (123)
236.26858

>  <Cat> (123)
P3255

>  <Name> (123)
CL-230482

>  <Synonyms> (123)
N/A

>  <Target> (123)
PDGFR

>  <Form> (123)
free base

>  <CAS> (123)
909859-35-4

>  <URL> (123)
N/A

$$$$
WYE-163716-A
csChFnd80/09262109422D

 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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    1.5872   -2.0273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5714    2.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8507    2.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2769   -1.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0424    0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0596   -1.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9286   -0.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9148    1.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C15H14N4O2S2

>  <MolWeight> (124)
346.42726

>  <Cat> (124)
P3533

>  <Name> (124)
WYE-163716-A

>  <Synonyms> (124)
N/A

>  <Target> (124)
rRNA ErmC' methyltransferase,F508del-CFTR,PI

>  <Form> (124)
free base

>  <CAS> (124)
92902-64-2

>  <URL> (124)
N/A

$$$$
WYE-175765
csChFnd80/09262109422D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.4583    0.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -3.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 20  2  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
  9 12  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C14H13NO6S

>  <MolWeight> (125)
323.32112

>  <Cat> (125)
P3534

>  <Name> (125)
WYE-175765

>  <Synonyms> (125)
N/A

>  <Target> (125)
JAK3,YopH,antibacterial

>  <Form> (125)
free base

>  <CAS> (125)
956236-35-4

>  <URL> (125)
N/A

$$$$
WYE-175829
csChFnd80/09262109422D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.3792   -0.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0333    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  2  0  0  0  0
 15  8  1  0  0  0  0
 16  9  2  0  0  0  0
 17 11  1  0  0  0  0
 18 13  2  0  0  0  0
 19 15  2  0  0  0  0
 16 14  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (126)
126

>  <Formula> (126)
C13H14N2O3S

>  <MolWeight> (126)
278.32686

>  <Cat> (126)
P3535

>  <Name> (126)
WYE-175829

>  <Synonyms> (126)
N/A

>  <Target> (126)
tyrosine kinase,gonadotropin-releasing hormo

>  <Form> (126)
free base

>  <CAS> (126)
327093-01-6

>  <URL> (126)
N/A

$$$$
WYE-175837
csChFnd80/09262109422D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.1349   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1349   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6452   -0.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349   -2.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6556    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8755   -1.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1556    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1452    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651    2.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1556    3.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 10  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C14H14N2O2

>  <MolWeight> (127)
242.27316

>  <Cat> (127)
P3536

>  <Name> (127)
WYE-175837

>  <Synonyms> (127)
N/A

>  <Target> (127)
BTK,VEGFR-2,Protein Arginine Deiminase

>  <Form> (127)
free base

>  <CAS> (127)
891-35-0

>  <URL> (127)
N/A

$$$$
WYE-175840
csChFnd80/09262109422D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.2375    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.8458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7333   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5583   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -3.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5042    3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (128)
128

>  <Formula> (128)
C17H19N5O3S

>  <MolWeight> (128)
373.42946

>  <Cat> (128)
P3537

>  <Name> (128)
WYE-175840

>  <Synonyms> (128)
N/A

>  <Target> (128)
Glutamate Racemase,protein kinase-activated 

>  <Form> (128)
free base

>  <CAS> (128)
380432-29-1

>  <URL> (128)
N/A

$$$$
WYE-176092
csChFnd80/09262109422D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C12H14N2O2S2

>  <MolWeight> (129)
282.38176

>  <Cat> (129)
P3538

>  <Name> (129)
WYE-176092

>  <Synonyms> (129)
N/A

>  <Target> (129)
Anti-infection

>  <Form> (129)
free base

>  <CAS> (129)
121746-06-3

>  <URL> (129)
N/A

$$$$
WAY-333491
csChFnd80/09262109422D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
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 15  9  2  0  0  0  0
 16 11  2  0  0  0  0
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 21  8  1  0  0  0  0
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 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> (130)
130

>  <Formula> (130)
C18H19N5OS

>  <MolWeight> (130)
353.44136

>  <Cat> (130)
P3379

>  <Name> (130)
WAY-333491

>  <Synonyms> (130)
N/A

>  <Target> (130)
LRRK2

>  <Form> (130)
free base

>  <CAS> (130)
852375-30-5

>  <URL> (130)
N/A

$$$$
WAY-333434
csChFnd80/09262109422D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 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
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 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C19H20FN5OS

>  <MolWeight> (131)
385.4584032

>  <Cat> (131)
P3378

>  <Name> (131)
WAY-333434

>  <Synonyms> (131)
N/A

>  <Target> (131)
Others

>  <Form> (131)
free base

>  <CAS> (131)
721964-45-0

>  <URL> (131)
N/A

$$$$
WAY-662864
csChFnd80/09262109422D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  3  2  0  0  0  0
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 13 20  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  2  0  0  0  0
 17  9  2  0  0  0  0
 18 21  1  0  0  0  0
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 22  9  1  0  0  0  0
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 25 24  1  0  0  0  0
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 23 25  1  0  0  0  0
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M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C15H22N4O5S

>  <MolWeight> (132)
370.42398

>  <Cat> (132)
P3531

>  <Name> (132)
WAY-662864

>  <Synonyms> (132)
N/A

>  <Target> (132)
UMPK

>  <Form> (132)
free base

>  <CAS> (132)
1621866-83-8

>  <URL> (132)
N/A

$$$$
WAY-278752
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (133)
133

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N/A

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IGF1R

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free base

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331652-38-1

>  <URL> (133)
N/A

$$$$
WAY-329594
csChFnd80/09262109422D

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>  <Mol_ID> (134)
134

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C14H10BrN3O3S2

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412.2815

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>  <Name> (134)
WAY-329594

>  <Synonyms> (134)
N/A

>  <Target> (134)
others

>  <Form> (134)
free base

>  <CAS> (134)
956910-37-5

>  <URL> (134)
N/A

$$$$
WAY-329599
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (135)
135

>  <Formula> (135)
C14H10FN3O3S2

>  <MolWeight> (135)
351.3759032

>  <Cat> (135)
P3371

>  <Name> (135)
WAY-329599

>  <Synonyms> (135)
N/A

>  <Target> (135)
others

>  <Form> (135)
free base

>  <CAS> (135)
956910-38-6

>  <URL> (135)
N/A

$$$$
WAY-329603
csChFnd80/09262109422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (136)
136

>  <Formula> (136)
C15H12ClN3O3S2

>  <MolWeight> (136)
381.85708

>  <Cat> (136)
P3372

>  <Name> (136)
WAY-329603

>  <Synonyms> (136)
N/A

>  <Target> (136)
others

>  <Form> (136)
free base

>  <CAS> (136)
956910-39-7

>  <URL> (136)
N/A

$$$$
WAY-329598
csChFnd80/09262109422D

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>  <Mol_ID> (137)
137

>  <Formula> (137)
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>  <MolWeight> (137)
361.4386

>  <Cat> (137)
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>  <Name> (137)
WAY-329598

>  <Synonyms> (137)
N/A

>  <Target> (137)
others

>  <Form> (137)
free base

>  <CAS> (137)
956910-48-8

>  <URL> (137)
N/A

$$$$
WAY-329607
csChFnd80/09262109422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (138)
138

>  <Formula> (138)
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>  <MolWeight> (138)
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>  <Cat> (138)
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>  <Name> (138)
WAY-329607

>  <Synonyms> (138)
N/A

>  <Target> (138)
others

>  <Form> (138)
free base

>  <CAS> (138)
956920-91-5

>  <URL> (138)
N/A

$$$$
WAY-278535
csChFnd80/09262109422D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (139)
139

>  <Formula> (139)
C10H6ClNO2S

>  <MolWeight> (139)
239.67814

>  <Cat> (139)
P3293

>  <Name> (139)
WAY-278535

>  <Synonyms> (139)
N/A

>  <Target> (139)
Pim-1,Pim-2,PPAR

>  <Form> (139)
free base

>  <CAS> (139)
24138-83-8

>  <URL> (139)
N/A

$$$$
WAY-299721
csChFnd80/09262109422D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (140)
140

>  <Formula> (140)
C18H15ClF3N5OS

>  <MolWeight> (140)
441.8578096

>  <Cat> (140)
P3306

>  <Name> (140)
WAY-299721

>  <Synonyms> (140)
N/A

>  <Target> (140)
SYK kinase

>  <Form> (140)
free base

>  <CAS> (140)
338427-78-4

>  <URL> (140)
N/A

$$$$
WAY-300385
csChFnd80/09262109422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 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> (141)
141

>  <Formula> (141)
C13H15N3O2S2

>  <MolWeight> (141)
309.4071

>  <Cat> (141)
P3308

>  <Name> (141)
WAY-300385

>  <Synonyms> (141)
N/A

>  <Target> (141)
Anti-infection

>  <Form> (141)
free base

>  <CAS> (141)
500188-71-6

>  <URL> (141)
N/A

$$$$
WAY-300442
csChFnd80/09262109422D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.4034    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 22  1  0  0  0  0
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M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C18H11BrN2O4

>  <MolWeight> (142)
399.19494

>  <Cat> (142)
P3309

>  <Name> (142)
WAY-300442

>  <Synonyms> (142)
N/A

>  <Target> (142)
ATP-kinase

>  <Form> (142)
free base

>  <CAS> (142)
333773-08-3

>  <URL> (142)
N/A

$$$$
WAY-384934
csChFnd80/09262109422D

 30 33  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  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
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 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
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 28 23  1  0  0  0  0
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 27 19  2  0  0  0  0
 17 24  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (143)
143

>  <Formula> (143)
C24H22N4O2

>  <MolWeight> (143)
398.45708

>  <Cat> (143)
P3420

>  <Name> (143)
WAY-384934

>  <Synonyms> (143)
N/A

>  <Target> (143)
pyruvate kinase

>  <Form> (143)
free base

>  <CAS> (143)
498568-75-5

>  <URL> (143)
N/A

$$$$
WAY-388796
csChFnd80/09262109422D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (144)
144

>  <Formula> (144)
C11H11ClN2S

>  <MolWeight> (144)
238.73644

>  <Cat> (144)
P3421

>  <Name> (144)
WAY-388796

>  <Synonyms> (144)
N/A

>  <Target> (144)
PDE5,PARP-1,PDE4,LIMK1,c-Met

>  <Form> (144)
free base

>  <CAS> (144)
40106-58-9

>  <URL> (144)
N/A

$$$$
WAY-388798
csChFnd80/09262109422D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (145)
145

>  <Formula> (145)
C7H5ClN2OS

>  <MolWeight> (145)
200.6454

>  <Cat> (145)
P3422

>  <Name> (145)
WAY-388798

>  <Synonyms> (145)
N/A

>  <Target> (145)
GPR40,histone deacetylase,mGluR5 receptor

>  <Form> (145)
free base

>  <CAS> (145)
63417-81-2

>  <URL> (145)
N/A

$$$$
WAY-346940
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (146)
146

>  <Formula> (146)
C15H11ClN4O2S

>  <MolWeight> (146)
346.79144

>  <Cat> (146)
P3391

>  <Name> (146)
WAY-346940

>  <Synonyms> (146)
N/A

>  <Target> (146)
Rho

>  <Form> (146)
free base

>  <CAS> (146)
392246-66-1

>  <URL> (146)
N/A

$$$$
WAY-347243
csChFnd80/09262109422D

 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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 11  8  2  0  0  0  0
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M  END
>  <Mol_ID> (147)
147

>  <Formula> (147)
C11H13N3S

>  <MolWeight> (147)
219.30602

>  <Cat> (147)
P3392

>  <Name> (147)
WAY-347243

>  <Synonyms> (147)
N/A

>  <Target> (147)
Anti-infection

>  <Form> (147)
free base

>  <CAS> (147)
422298-69-9

>  <URL> (147)
N/A

$$$$
WAY-347626
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
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 15  4  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
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 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> (148)
148

>  <Formula> (148)
C17H15N3O3

>  <MolWeight> (148)
309.3193

>  <Cat> (148)
P3393

>  <Name> (148)
WAY-347626

>  <Synonyms> (148)
N/A

>  <Target> (148)
CDK2

>  <Form> (148)
free base

>  <CAS> (148)
756843-31-9

>  <URL> (148)
N/A

$$$$
WAY-347806
csChFnd80/09262109422D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10 18  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
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 17  6  1  0  0  0  0
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 21  9  1  0  0  0  0
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M  END
>  <Mol_ID> (149)
149

>  <Formula> (149)
C17H13FN2O4S

>  <MolWeight> (149)
360.3595232

>  <Cat> (149)
P3394

>  <Name> (149)
WAY-347806

>  <Synonyms> (149)
N/A

>  <Target> (149)
CK2,GSK3¦Â

>  <Form> (149)
free base

>  <CAS> (149)
757198-76-8

>  <URL> (149)
N/A

$$$$
WAY-349807
csChFnd80/09262109422D

 35 39  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  9  2  0  0  0  0
  4  2  1  0  0  0  0
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  7 18  1  0  0  0  0
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 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
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 15  2  2  0  0  0  0
 16  4  1  0  0  0  0
 17  4  1  0  0  0  0
 18 17  1  0  0  0  0
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 20 22  1  0  0  0  0
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 23 14  1  0  0  0  0
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 26 20  1  0  0  0  0
 27  8  1  0  0  0  0
 28 11  1  0  0  0  0
 29  9  1  0  0  0  0
 30 28  2  0  0  0  0
 31 30  1  0  0  0  0
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 33 26  1  0  0  0  0
 34 27  2  0  0  0  0
 35 34  1  0  0  0  0
  5  3  1  0  0  0  0
 35 29  2  0  0  0  0
 19  7  1  0  0  0  0
 20 13  2  0  0  0  0
 23 31  2  0  0  0  0
M  END
>  <Mol_ID> (150)
150

>  <Formula> (150)
C28H26ClN3O3

>  <MolWeight> (150)
487.97734

>  <Cat> (150)
P3397

>  <Name> (150)
WAY-349807

>  <Synonyms> (150)
N/A

>  <Target> (150)
Pim-1

>  <Form> (150)
free base

>  <CAS> (150)
544662-95-5

>  <URL> (150)
N/A

$$$$
WAY-349858
csChFnd80/09262109422D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.6625   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6167   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 12  4  2  0  0  0  0
 13  6  2  0  0  0  0
 14 15  1  0  0  0  0
 15  6  1  0  0  0  0
 16 18  2  0  0  0  0
 17  4  1  0  0  0  0
 18 14  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (151)
151

>  <Formula> (151)
C15H16N2O4S

>  <MolWeight> (151)
320.36354

>  <Cat> (151)
P3398

>  <Name> (151)
WAY-349858

>  <Synonyms> (151)
N/A

>  <Target> (151)
c-Jun N-terminal kinase

>  <Form> (151)
free base

>  <CAS> (151)
771503-50-5

>  <URL> (151)
N/A

$$$$
WAY-350732
csChFnd80/09262109422D

 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
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   10.9417   -6.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9542   -8.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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> (152)
152

>  <Formula> (152)
C13H11BrN2O2S

>  <MolWeight> (152)
339.20764

>  <Cat> (152)
P3399

>  <Name> (152)
WAY-350732

>  <Synonyms> (152)
N/A

>  <Target> (152)
c-Jun N-terminal kinase

>  <Form> (152)
free base

>  <CAS> (152)
438602-71-2

>  <URL> (152)
N/A

$$$$
WAY-351429
csChFnd80/09262109422D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.5917   -5.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4375   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2542   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3667   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -3.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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    3.9000   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (153)
153

>  <Formula> (153)
C21H23N3O4

>  <MolWeight> (153)
381.42502

>  <Cat> (153)
P3400

>  <Name> (153)
WAY-351429

>  <Synonyms> (153)
N/A

>  <Target> (153)
choline kinase

>  <Form> (153)
free base

>  <CAS> (153)
451474-95-6

>  <URL> (153)
N/A

$$$$
WAY-351812
csChFnd80/09262109422D

 25 26  0  0  0  0  0  0  0  0999 V2000
   14.7417   -8.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -9.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8667   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2375   -8.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417   -6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875  -10.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -8.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000   -6.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9875   -6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -5.1500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8542   -5.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9 13  1  0  0  0  0
 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 13 22  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  2  0  0  0  0
 17  1  1  0  0  0  0
 18  2  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  1  0  0  0  0
 23 24  1  0  0  0  0
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M  END
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154

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N/A

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CDK8

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free base

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471289-61-9

>  <URL> (154)
N/A

$$$$
WAY-352098
csChFnd80/09262109422D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (155)
155

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C17H12F3N5O2S

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407.3696896

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P3403

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WAY-352098

>  <Synonyms> (155)
N/A

>  <Target> (155)
PDK1,CRTH2

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free base

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482643-39-0

>  <URL> (155)
N/A

$$$$
WAY-352753
csChFnd80/09262109422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (156)
156

>  <Formula> (156)
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>  <MolWeight> (156)
303.7667

>  <Cat> (156)
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>  <Name> (156)
WAY-352753

>  <Synonyms> (156)
N/A

>  <Target> (156)
GSK-3

>  <Form> (156)
free base

>  <CAS> (156)
478482-74-5

>  <URL> (156)
N/A

$$$$
WAY-353591
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (157)
157

>  <Formula> (157)
C16H12FN3S

>  <MolWeight> (157)
297.3499832

>  <Cat> (157)
P3406

>  <Name> (157)
WAY-353591

>  <Synonyms> (157)
N/A

>  <Target> (157)
Casein kinase 1d

>  <Form> (157)
free base

>  <CAS> (157)
454427-09-9

>  <URL> (157)
N/A

$$$$
WAY-353890
csChFnd80/09262109422D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (158)
158

>  <Formula> (158)
C17H13FN4O

>  <MolWeight> (158)
308.3097232

>  <Cat> (158)
P3407

>  <Name> (158)
WAY-353890

>  <Synonyms> (158)
N/A

>  <Target> (158)
FGFR1

>  <Form> (158)
free base

>  <CAS> (158)
459137-97-4

>  <URL> (158)
N/A

$$$$
WAY-354189
csChFnd80/09262109422D

 24 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (159)
159

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>  <Cat> (159)
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>  <Name> (159)
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>  <Synonyms> (159)
N/A

>  <Target> (159)
JAK-STAT

>  <Form> (159)
free base

>  <CAS> (159)
850019-35-1

>  <URL> (159)
N/A

$$$$
GI-570261
csChFnd80/09262109422D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (160)
160

>  <Formula> (160)
C22H19N5O3S

>  <MolWeight> (160)
433.48296

>  <Cat> (160)
P3261

>  <Name> (160)
GI-570261

>  <Synonyms> (160)
N/A

>  <Target> (160)
LRP5/6-sclerostin interaction,phosphatidylin

>  <Form> (160)
free base

>  <CAS> (160)
301357-76-6

>  <URL> (160)
N/A

$$$$
WAY-352835
csChFnd80/09262109422D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (161)
161

>  <Formula> (161)
C16H15N3OS

>  <MolWeight> (161)
297.3748

>  <Cat> (161)
P3405

>  <Name> (161)
WAY-352835

>  <Synonyms> (161)
N/A

>  <Target> (161)
tyrosine kinase

>  <Form> (161)
free base

>  <CAS> (161)
401638-52-6

>  <URL> (161)
N/A

$$$$
WAY-354831
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
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 12 18  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (162)
162

>  <Formula> (162)
C15H10FN3O3

>  <MolWeight> (162)
299.2566032

>  <Cat> (162)
P3409

>  <Name> (162)
WAY-354831

>  <Synonyms> (162)
N/A

>  <Target> (162)
c-Met 

>  <Form> (162)
free base

>  <CAS> (162)
330572-32-2

>  <URL> (162)
N/A

$$$$
WAY-354890
csChFnd80/09262109422D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
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 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
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 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
  4  5  2  0  0  0  0
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 21 22  1  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (163)
163

>  <Formula> (163)
C17H16FN3S

>  <MolWeight> (163)
313.3924432

>  <Cat> (163)
P3410

>  <Name> (163)
WAY-354890

>  <Synonyms> (163)
N/A

>  <Target> (163)
EGFR 

>  <Form> (163)
free base

>  <CAS> (163)
852407-49-9

>  <URL> (163)
N/A

$$$$
WAY-355772
csChFnd80/09262109422D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0  0  0  0
 14 28  1  0  0  0  0
 26 29  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (164)
164

>  <Formula> (164)
C19H13F3N2O4S

>  <MolWeight> (164)
422.3777296

>  <Cat> (164)
P3411

>  <Name> (164)
WAY-355772

>  <Synonyms> (164)
N/A

>  <Target> (164)
serine/threonine kinase

>  <Form> (164)
free base

>  <CAS> (164)
442658-33-5

>  <URL> (164)
N/A

$$$$
WAY-357919
csChFnd80/09262109422D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11 13  1  0  0  0  0
 12 11  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
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 20 14  1  0  0  0  0
 21 12  1  0  0  0  0
 22 16  1  0  0  0  0
 23 22  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  2  0  0  0  0
 17 23  1  0  0  0  0
 18 11  2  0  0  0  0
M  END
>  <Mol_ID> (165)
165

>  <Formula> (165)
C18H16N2O2S

>  <MolWeight> (165)
324.39684

>  <Cat> (165)
P3412

>  <Name> (165)
WAY-357919

>  <Synonyms> (165)
N/A

>  <Target> (165)
VEGFR

>  <Form> (165)
free base

>  <CAS> (165)
298207-77-9

>  <URL> (165)
N/A

$$$$
WAY-358024
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  2  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 11  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
  3  7  1  0  0  0  0
 20 16  2  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (166)
166

>  <Formula> (166)
C15H11N3O3

>  <MolWeight> (166)
281.26614

>  <Cat> (166)
P3413

>  <Name> (166)
WAY-358024

>  <Synonyms> (166)
N/A

>  <Target> (166)
GSK-3b

>  <Form> (166)
free base

>  <CAS> (166)
70169-39-0

>  <URL> (166)
N/A

$$$$
WAY-358667-A
csChFnd80/09262109422D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.4479   -0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  7  2  0  0  0  0
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  5 10  1  0  0  0  0
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  8 14  2  0  0  0  0
 10 15  2  0  0  0  0
 13 16  2  0  0  0  0
  5  9  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (167)
167

>  <Formula> (167)
C12H8N2S2

>  <MolWeight> (167)
244.33532

>  <Cat> (167)
P3414

>  <Name> (167)
WAY-358667-A

>  <Synonyms> (167)
N/A

>  <Target> (167)
Human protein kinase CK2

>  <Form> (167)
free base

>  <CAS> (167)
182198-89-6

>  <URL> (167)
N/A

$$$$
WAY-358981
csChFnd80/09262109422D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  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  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13 14  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  2  0  0  0  0
 19 17  2  0  0  0  0
  3  5  2  0  0  0  0
 13  9  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (168)
168

>  <Formula> (168)
C14H12N4O

>  <MolWeight> (168)
252.27128

>  <Cat> (168)
P3415

>  <Name> (168)
WAY-358981

>  <Synonyms> (168)
N/A

>  <Target> (168)
sphingosine kinase

>  <Form> (168)
free base

>  <CAS> (168)
307322-32-3

>  <URL> (168)
N/A

$$$$
WAY-359594
csChFnd80/09262109422D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   10.3500   -3.9292    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  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  1  0  0  0  0
 13  2  1  0  0  0  0
 14 17  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20  7  2  0  0  0  0
 21  9  2  0  0  0  0
 22  8  2  0  0  0  0
 23 10  1  0  0  0  0
 24 19  1  0  0  0  0
 25 23  2  0  0  0  0
 26 24  1  0  0  0  0
 27 28  2  0  0  0  0
 28 22  1  0  0  0  0
 10  4  2  0  0  0  0
 20 25  1  0  0  0  0
 27 21  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (169)
169

>  <Formula> (169)
C23H21N3O2

>  <MolWeight> (169)
371.43174

>  <Cat> (169)
P3416

>  <Name> (169)
WAY-359594

>  <Synonyms> (169)
N/A

>  <Target> (169)
G protein coupled receptor 6 kinase

>  <Form> (169)
free base

>  <CAS> (169)
33495-39-5

>  <URL> (169)
N/A

$$$$
WAY-381785
csChFnd80/09262109422D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.5917   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
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M  END
>  <Mol_ID> (170)
170

>  <Formula> (170)
C20H23N3O

>  <MolWeight> (170)
321.41612

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P3417

>  <Name> (170)
WAY-381785

>  <Synonyms> (170)
N/A

>  <Target> (170)
GSK3

>  <Form> (170)
free base

>  <CAS> (170)
511239-29-5

>  <URL> (170)
N/A

$$$$
WAY-313201
csChFnd80/09262109422D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  6 10  2  0  0  0  0
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 10 15  1  0  0  0  0
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 15 18  1  0  0  0  0
  7 10  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (171)
171

>  <Formula> (171)
C12H12N2O3S

>  <MolWeight> (171)
264.30028

>  <Cat> (171)
P3320

>  <Name> (171)
WAY-313201

>  <Synonyms> (171)
N/A

>  <Target> (171)
 GSK-3b

>  <Form> (171)
free base

>  <CAS> (171)
571904-77-3

>  <URL> (171)
N/A

$$$$
WAY-311972
csChFnd80/09262109422D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 15  4  2  0  0  0  0
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 25 28  2  0  0  0  0
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  3  7  2  0  0  0  0
 14 13  2  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (172)
172

>  <Formula> (172)
C21H18BrN3O3

>  <MolWeight> (172)
440.28992

>  <Cat> (172)
P3315

>  <Name> (172)
WAY-311972

>  <Synonyms> (172)
N/A

>  <Target> (172)
ATP-kinases

>  <Form> (172)
free base

>  <CAS> (172)
606948-76-9

>  <URL> (172)
N/A

$$$$
WAY-113178
csChFnd80/09262109422D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
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  8 12  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
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 14 18  2  0  0  0  0
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 26 28  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
 15 18  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (173)
173

>  <Formula> (173)
C21H17N3O3S

>  <MolWeight> (173)
391.44298

>  <Cat> (173)
P3263

>  <Name> (173)
WAY-113178

>  <Synonyms> (173)
N/A

>  <Target> (173)
IkB kinase-beta 

>  <Form> (173)
free base

>  <CAS> (173)
638999-98-1

>  <URL> (173)
N/A

$$$$
WAY-344977
csChFnd80/09262109422D

 25 27  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  3  1  0  0  0  0
  5  2  1  0  0  0  0
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  8 10  2  0  0  0  0
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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
 21 22  1  0  0  0  0
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 23 21  1  0  0  0  0
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 25 20  1  0  0  0  0
  4  5  1  0  0  0  0
 24 25  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (174)
174

>  <Formula> (174)
C17H17ClN4O2S

>  <MolWeight> (174)
376.86048

>  <Cat> (174)
P3389

>  <Name> (174)
WAY-344977

>  <Synonyms> (174)
N/A

>  <Target> (174)
GSK-3

>  <Form> (174)
free base

>  <CAS> (174)
686743-57-7

>  <URL> (174)
N/A

$$$$
WAY-310507
csChFnd80/09262109422D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (175)
175

>  <Formula> (175)
C11H10N4O2S

>  <MolWeight> (175)
262.2877

>  <Cat> (175)
P3311

>  <Name> (175)
WAY-310507

>  <Synonyms> (175)
N/A

>  <Target> (175)
Anti-infection

>  <Form> (175)
free base

>  <CAS> (175)
686743-93-1

>  <URL> (175)
N/A

$$$$
WAY-310944
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (176)
176

>  <Formula> (176)
C11H10N2O2S2

>  <MolWeight> (176)
266.3393

>  <Cat> (176)
P3313

>  <Name> (176)
WAY-310944

>  <Synonyms> (176)
N/A

>  <Target> (176)
Anti-infection

>  <Form> (176)
free base

>  <CAS> (176)
688335-53-7

>  <URL> (176)
N/A

$$$$
WAY-310334
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (177)
177

>  <Formula> (177)
C14H16N2O2S2

>  <MolWeight> (177)
308.41904

>  <Cat> (177)
P3310

>  <Name> (177)
WAY-310334

>  <Synonyms> (177)
N/A

>  <Target> (177)
mPGES-1,human protein kinase CK2

>  <Form> (177)
free base

>  <CAS> (177)
688335-72-0

>  <URL> (177)
N/A

$$$$
WAY-310819
csChFnd80/09262109422D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (178)
178

>  <Formula> (178)
C15H14BrN5O3S

>  <MolWeight> (178)
424.27236

>  <Cat> (178)
P3312

>  <Name> (178)
WAY-310819

>  <Synonyms> (178)
N/A

>  <Target> (178)
B-Raf

>  <Form> (178)
free base

>  <CAS> (178)
326918-98-3

>  <URL> (178)
N/A

$$$$
CL-59089
csChFnd80/09262109422D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (179)
179

>  <Formula> (179)
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>  <MolWeight> (179)
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>  <Cat> (179)
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>  <Name> (179)
CL-59089

>  <Synonyms> (179)
N/A

>  <Target> (179)
sirtuin,Rho,CDK

>  <Form> (179)
free base

>  <CAS> (179)
3008-61-5

>  <URL> (179)
N/A

$$$$
WAY-616312
csChFnd80/09262109422D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (180)
180

>  <Formula> (180)
C18H16Cl2N4O4

>  <MolWeight> (180)
423.25004

>  <Cat> (180)
P3454

>  <Name> (180)
WAY-616312

>  <Synonyms> (180)
N/A

>  <Target> (180)
sirtuin,Rho,CDK

>  <Form> (180)
free base

>  <CAS> (180)
730946-98-2

>  <URL> (180)
N/A

$$$$
WAY-624687
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (181)
181

>  <Formula> (181)
C13H9N5S2

>  <MolWeight> (181)
299.37406

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>  <Name> (181)
WAY-624687

>  <Synonyms> (181)
N/A

>  <Target> (181)
GSK3

>  <Form> (181)
free base

>  <CAS> (181)
753473-65-3

>  <URL> (181)
N/A

$$$$
WAY-330162
csChFnd80/09262109422D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
 11  3  1  0  0  0  0
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 18  6  2  0  0  0  0
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 30 25  1  0  0  0  0
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 29 23  2  0  0  0  0
M  END
>  <Mol_ID> (182)
182

>  <Formula> (182)
C22H26N2O5S

>  <MolWeight> (182)
430.51724

>  <Cat> (182)
P3377

>  <Name> (182)
WAY-330162

>  <Synonyms> (182)
N/A

>  <Target> (182)
Kinase

>  <Form> (182)
free base

>  <CAS> (182)
868963-46-6

>  <URL> (182)
N/A

$$$$
WAY-333883
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
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 15  6  2  0  0  0  0
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M  END
>  <Mol_ID> (183)
183

>  <Formula> (183)
C16H16Cl2N4O

>  <MolWeight> (183)
351.23044

>  <Cat> (183)
P3382

>  <Name> (183)
WAY-333883

>  <Synonyms> (183)
N/A

>  <Target> (183)
pyruvate kinase

>  <Form> (183)
free base

>  <CAS> (183)
863448-35-5

>  <URL> (183)
N/A

$$$$
WAY-333875
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  5  9  1  0  0  0  0
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  8 11  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16 14  1  0  0  0  0
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 18 22  1  0  0  0  0
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 23 13  1  0  0  0  0
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 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (184)
184

>  <Formula> (184)
C16H16ClFN4O

>  <MolWeight> (184)
334.7758432

>  <Cat> (184)
P3380

>  <Name> (184)
WAY-333875

>  <Synonyms> (184)
N/A

>  <Target> (184)
pyruvate kinase

>  <Form> (184)
free base

>  <CAS> (184)
863448-22-0

>  <URL> (184)
N/A

$$$$
WAY-333878
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
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 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  1  0  0  0  0
 23 17  1  0  0  0  0
  7  9  2  0  0  0  0
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 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (185)
185

>  <Formula> (185)
C18H22N4O

>  <MolWeight> (185)
310.39348

>  <Cat> (185)
P3381

>  <Name> (185)
WAY-333878

>  <Synonyms> (185)
N/A

>  <Target> (185)
pyruvate kinase

>  <Form> (185)
free base

>  <CAS> (185)
863448-25-3

>  <URL> (185)
N/A

$$$$
WAY-329412
csChFnd80/09262109422D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (186)
186

>  <Formula> (186)
C27H25N3O3

>  <MolWeight> (186)
439.5057

>  <Cat> (186)
P3365

>  <Name> (186)
WAY-329412

>  <Synonyms> (186)
N/A

>  <Target> (186)
Abl

>  <Form> (186)
free base

>  <CAS> (186)
943932-69-2

>  <URL> (186)
N/A

$$$$
WAY-329689
csChFnd80/09262109422D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (187)
187

>  <Formula> (187)
C29H29N3O4

>  <MolWeight> (187)
483.55826

>  <Cat> (187)
P3376

>  <Name> (187)
WAY-329689

>  <Synonyms> (187)
N/A

>  <Target> (187)
Abl

>  <Form> (187)
free base

>  <CAS> (187)
943934-76-7

>  <URL> (187)
N/A

$$$$
WAY-329424
csChFnd80/09262109422D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  2  0  0  0  0
 13  5  2  0  0  0  0
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 16  2  1  0  0  0  0
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 23 30  2  0  0  0  0
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 27 18  1  0  0  0  0
M  END
>  <Mol_ID> (188)
188

>  <Formula> (188)
C24H27N3O3

>  <MolWeight> (188)
405.48948

>  <Cat> (188)
P3367

>  <Name> (188)
WAY-329424

>  <Synonyms> (188)
N/A

>  <Target> (188)
Abl

>  <Form> (188)
free base

>  <CAS> (188)
943933-52-6

>  <URL> (188)
N/A

$$$$
WAY-329686
csChFnd80/09262109422D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
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189

>  <Formula> (189)
C25H29N3O3

>  <MolWeight> (189)
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>  <Name> (189)
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>  <Synonyms> (189)
N/A

>  <Target> (189)
Abl

>  <Form> (189)
free base

>  <CAS> (189)
943934-31-4

>  <URL> (189)
N/A

$$$$
WAY-329410
csChFnd80/09262109422D

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>  <Mol_ID> (190)
190

>  <Formula> (190)
C26H23N3O3

>  <MolWeight> (190)
425.47912

>  <Cat> (190)
P3364

>  <Name> (190)
WAY-329410

>  <Synonyms> (190)
N/A

>  <Target> (190)
Abl

>  <Form> (190)
free base

>  <CAS> (190)
943932-62-5

>  <URL> (190)
N/A

$$$$
WAY-329685
csChFnd80/09262109422D

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>  <Mol_ID> (191)
191

>  <Formula> (191)
C28H27N3O4

>  <MolWeight> (191)
469.53168

>  <Cat> (191)
P3374

>  <Name> (191)
WAY-329685

>  <Synonyms> (191)
N/A

>  <Target> (191)
Abl

>  <Form> (191)
free base

>  <CAS> (191)
943934-25-6

>  <URL> (191)
N/A

$$$$
WAY-329423
csChFnd80/09262109422D

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>  <Mol_ID> (192)
192

>  <Formula> (192)
C24H27N3O2

>  <MolWeight> (192)
389.49008

>  <Cat> (192)
P3366

>  <Name> (192)
WAY-329423

>  <Synonyms> (192)
N/A

>  <Target> (192)
Abl

>  <Form> (192)
free base

>  <CAS> (192)
943933-49-1

>  <URL> (192)
N/A

$$$$
WAY-329356
csChFnd80/09262109422D

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Abl

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free base

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943932-17-0

>  <URL> (193)
N/A

$$$$
WAY-329341
csChFnd80/09262109422D

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194

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C28H27N3O3

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WAY-329341

>  <Synonyms> (194)
N/A

>  <Target> (194)
Abl

>  <Form> (194)
free base

>  <CAS> (194)
943931-29-1

>  <URL> (194)
N/A

$$$$
WAY-329340
csChFnd80/09262109422D

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195

>  <Formula> (195)
C24H27N3O2

>  <MolWeight> (195)
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>  <Synonyms> (195)
N/A

>  <Target> (195)
Abl

>  <Form> (195)
free base

>  <CAS> (195)
943931-23-5

>  <URL> (195)
N/A

$$$$
WAY-641918
csChFnd80/09262109422D

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196

>  <Formula> (196)
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>  <MolWeight> (196)
400.46966

>  <Cat> (196)
P3498

>  <Name> (196)
WAY-641918

>  <Synonyms> (196)
N/A

>  <Target> (196)
TAO kinase

>  <Form> (196)
free base

>  <CAS> (196)
850467-77-5

>  <URL> (196)
N/A

$$$$
WAY-278459-A
csChFnd80/09262109422D

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>  <Mol_ID> (197)
197

>  <Formula> (197)
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>  <MolWeight> (197)
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>  <Cat> (197)
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>  <Name> (197)
WAY-278459-A

>  <Synonyms> (197)
N/A

>  <Target> (197)
Plasmodium falciparum Apical Membrane Antige

>  <Form> (197)
free base

>  <CAS> (197)
105512-88-7

>  <URL> (197)
N/A

$$$$
WAY-278559-A
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    3.1028   -0.2913    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
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  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
  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
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C17H23N3O

>  <MolWeight> (198)
285.38402

>  <Cat> (198)
P3294

>  <Name> (198)
WAY-278559-A

>  <Synonyms> (198)
N/A

>  <Target> (198)
ethanolamine kinase

>  <Form> (198)
free base

>  <CAS> (198)
301330-81-4

>  <URL> (198)
N/A

$$$$
WAY-642481
csChFnd80/09262109422D

 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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  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13 17  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  2  0  0  0  0
 21 20  1  0  0  0  0
  6  4  1  0  0  0  0
 18 21  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (199)
199

>  <Formula> (199)
C17H16N2OS

>  <MolWeight> (199)
296.38674

>  <Cat> (199)
P3501

>  <Name> (199)
WAY-642481

>  <Synonyms> (199)
N/A

>  <Target> (199)
CDK

>  <Form> (199)
free base

>  <CAS> (199)
22312-45-4

>  <URL> (199)
N/A

$$$$
WAY-643632-A
csChFnd80/09262109422D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.7917    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  2  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
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 13 15  1  0  0  0  0
  6  2  2  0  0  0  0
M  END
>  <Mol_ID> (200)
200

>  <Formula> (200)
C11H14N2O2

>  <MolWeight> (200)
206.24106

>  <Cat> (200)
P3502

>  <Name> (200)
WAY-643632-A

>  <Synonyms> (200)
N/A

>  <Target> (200)
SRC kinase,TTX-S channel

>  <Form> (200)
free base

>  <CAS> (200)
500356-88-7

>  <URL> (200)
N/A

$$$$
WAY-616763
csChFnd80/09262109422D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  5  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 21  1  0  0  0  0
 15 17  2  0  0  0  0
 16  8  2  0  0  0  0
 17 18  1  0  0  0  0
 18  8  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  2  0  0  0  0
 21 24  2  0  0  0  0
 22 26  2  0  0  0  0
 23 12  1  0  0  0  0
 24 17  1  0  0  0  0
 25 14  1  0  0  0  0
 26 20  1  0  0  0  0
 27 19  2  0  0  0  0
 28  9  1  0  0  0  0
 27 22  1  0  0  0  0
  9  6  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (201)
201

>  <Formula> (201)
C18H15Cl2N3O4S

>  <MolWeight> (201)
440.3004

>  <Cat> (201)
P3456

>  <Name> (201)
WAY-616763

>  <Synonyms> (201)
N/A

>  <Target> (201)
Anti-infection

>  <Form> (201)
free base

>  <CAS> (201)
735303-62-5

>  <URL> (201)
N/A

$$$$
WAY-641966
csChFnd80/09262109422D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.2667    0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
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  8  3  1  0  0  0  0
  9 15  2  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16  8  1  0  0  0  0
 17  8  2  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20 11  2  0  0  0  0
 21 13  2  0  0  0  0
 22 17  1  0  0  0  0
 23 16  2  0  0  0  0
 24 22  2  0  0  0  0
  5  6  1  0  0  0  0
 24 23  1  0  0  0  0
 20 21  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
>  <Mol_ID> (202)
202

>  <Formula> (202)
C20H16N4

>  <MolWeight> (202)
312.36784

>  <Cat> (202)
P3499

>  <Name> (202)
WAY-641966

>  <Synonyms> (202)
N/A

>  <Target> (202)
TGF-¦Â,p38-¦Á

>  <Form> (202)
free base

>  <CAS> (202)
259870-32-1

>  <URL> (202)
N/A

$$$$
WAY-642424
csChFnd80/09262109422D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 16 25  2  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  2  0  0  0  0
 20 22  2  0  0  0  0
 21 18  2  0  0  0  0
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 23 20  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 11  1  0  0  0  0
 27 11  2  0  0  0  0
  3  5  1  0  0  0  0
 21 20  1  0  0  0  0
 16 24  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (203)
203

>  <Formula> (203)
C19H14FN5OS

>  <MolWeight> (203)
379.4107632

>  <Cat> (203)
P3500

>  <Name> (203)
WAY-642424

>  <Synonyms> (203)
N/A

>  <Target> (203)
Casein kinase 1¦Ä

>  <Form> (203)
free base

>  <CAS> (203)
851396-73-1

>  <URL> (203)
N/A

$$$$
WAY-329592
csChFnd80/09262109422D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.2625   -8.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625  -10.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750   -6.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6875   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -8.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5750   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125   -7.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6625  -15.1500    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  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10 12  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  0  0  0  0
 15 10  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18  8  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
 21 24  1  0  0  0  0
 22  7  2  0  0  0  0
 23 10  2  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 26 18  1  0  0  0  0
 27  6  1  0  0  0  0
 28  7  1  0  0  0  0
 29 17  1  0  0  0  0
 30 21  1  0  0  0  0
  5 16  2  0  0  0  0
  6  9  1  0  0  0  0
 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (204)
204

>  <Formula> (204)
C22H25BrN2O4S

>  <MolWeight> (204)
493.4139

>  <Cat> (204)
P3368

>  <Name> (204)
WAY-329592

>  <Synonyms> (204)
N/A

>  <Target> (204)
tyrosine kinase

>  <Form> (204)
free base

>  <CAS> (204)
868963-53-5

>  <URL> (204)
N/A

$$$$
WAY-333939
csChFnd80/09262109422D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.3375    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6125    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9208    1.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2083    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1958    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1000    5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2042    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.8708    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  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
 26 24  1  0  0  0  0
  4  3  1  0  0  0  0
  9  7  2  0  0  0  0
 20 18  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (205)
205

>  <Formula> (205)
C19H21N5O2

>  <MolWeight> (205)
351.40234

>  <Cat> (205)
P3384

>  <Name> (205)
WAY-333939

>  <Synonyms> (205)
N/A

>  <Target> (205)
Anti-infection

>  <Form> (205)
free base

>  <CAS> (205)
689268-14-2

>  <URL> (205)
N/A

$$$$
WAY-333908
csChFnd80/09262109422D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.3375    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    2.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4583    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9000    5.2292    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  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  2  0  0  0  0
 14 10  2  0  0  0  0
 15 17  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 22  2  0  0  0  0
 20 12  2  0  0  0  0
 21 12  1  0  0  0  0
 22 18  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
  4  3  1  0  0  0  0
  9  7  2  0  0  0  0
 25 24  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (206)
206

>  <Formula> (206)
C17H12N6O2

>  <MolWeight> (206)
332.31618

>  <Cat> (206)
P3383

>  <Name> (206)
WAY-333908

>  <Synonyms> (206)
N/A

>  <Target> (206)
others

>  <Form> (206)
free base

>  <CAS> (206)
689269-24-7

>  <URL> (206)
N/A

$$$$
WAY-333945
csChFnd80/09262109422D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.3375    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2083    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    2.7333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1000    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9000    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  2  0  0  0  0
 15 11  2  0  0  0  0
 16 13  1  0  0  0  0
 17 10  2  0  0  0  0
 18 15  1  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
 21 10  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
  4  3  1  0  0  0  0
  9  7  2  0  0  0  0
 16 18  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (207)
207

>  <Formula> (207)
C17H13N5O2S

>  <MolWeight> (207)
351.38242

>  <Cat> (207)
P3385

>  <Name> (207)
WAY-333945

>  <Synonyms> (207)
N/A

>  <Target> (207)
Anti-infection

>  <Form> (207)
free base

>  <CAS> (207)
689273-45-8

>  <URL> (207)
N/A

$$$$
WAY-616584
csChFnd80/09262109422D

 22 26  0  0  0  0  0  0  0  0999 V2000
    0.0958    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8833    1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833    2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    1.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (208)
208

>  <Formula> (208)
C16H13N3O2S

>  <MolWeight> (208)
311.35832

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P3455

>  <Name> (208)
WAY-616584

>  <Synonyms> (208)
N/A

>  <Target> (208)
Casein kinase 1¦Ä

>  <Form> (208)
free base

>  <CAS> (208)
695223-53-1

>  <URL> (208)
N/A

$$$$
WAY-625530
csChFnd80/09262109422D

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 11 10  1  0  0  0  0
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M  END
>  <Mol_ID> (209)
209

>  <Formula> (209)
C22H18ClFN2O3

>  <MolWeight> (209)
412.8413232

>  <Cat> (209)
P3466

>  <Name> (209)
WAY-625530

>  <Synonyms> (209)
N/A

>  <Target> (209)
FGFR1

>  <Form> (209)
free base

>  <CAS> (209)
956782-57-3

>  <URL> (209)
N/A

$$$$
WAY-625741
csChFnd80/09262109422D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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M  END
>  <Mol_ID> (210)
210

>  <Formula> (210)
C16H13N3O4S

>  <MolWeight> (210)
343.35712

>  <Cat> (210)
P3467

>  <Name> (210)
WAY-625741

>  <Synonyms> (210)
N/A

>  <Target> (210)
Casein kinase 1d

>  <Form> (210)
free base

>  <CAS> (210)
756857-71-3

>  <URL> (210)
N/A

$$$$
WAY-626116
csChFnd80/09262109422D

 30 34  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  9  2  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (211)
211

>  <Formula> (211)
C20H14FN3O4S2

>  <MolWeight> (211)
443.4712632

>  <Cat> (211)
P3468

>  <Name> (211)
WAY-626116

>  <Synonyms> (211)
N/A

>  <Target> (211)
Casein kinase 1d

>  <Form> (211)
free base

>  <CAS> (211)
753468-25-6

>  <URL> (211)
N/A

$$$$
WAY-273170
csChFnd80/09262109422D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (212)
212

>  <Formula> (212)
C19H13ClN4O2S

>  <MolWeight> (212)
396.85012

>  <Cat> (212)
P3289

>  <Name> (212)
WAY-273170

>  <Synonyms> (212)
N/A

>  <Target> (212)
Myt1

>  <Form> (212)
free base

>  <CAS> (212)
478247-52-8

>  <URL> (212)
N/A

$$$$
WAY-277054
csChFnd80/09262109422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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 16 12  1  0  0  0  0
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 18  8  2  0  0  0  0
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 24 23  2  0  0  0  0
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 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C16H11ClFN3OS2

>  <MolWeight> (213)
379.8594432

>  <Cat> (213)
P3290

>  <Name> (213)
WAY-277054

>  <Synonyms> (213)
N/A

>  <Target> (213)
tyrosine kinase

>  <Form> (213)
free base

>  <CAS> (213)
753467-39-9?

>  <URL> (213)
N/A

$$$$
WAY-336715
csChFnd80/09262109422D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7 11  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 14  2  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 14  1  0  0  0  0
 22 17  1  0  0  0  0
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 24 20  1  0  0  0  0
 25 24  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  2  0  0  0  0
  6  3  1  0  0  0  0
 18 20  1  0  0  0  0
  7  8  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (214)
214

>  <Formula> (214)
C21H20N4OS

>  <MolWeight> (214)
376.4747

>  <Cat> (214)
P3386

>  <Name> (214)
WAY-336715

>  <Synonyms> (214)
N/A

>  <Target> (214)
CDK8

>  <Form> (214)
free base

>  <CAS> (214)
451458-32-5

>  <URL> (214)
N/A

$$$$
WAY-337647
csChFnd80/09262109422D

 21 24  0  0  0  0  0  0  0  0999 V2000
    4.1667   -2.2542    0.0000 C   0  0  3  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
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  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
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 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  2  2  0  0  0  0
 15 11  2  0  0  0  0
 16 13  2  0  0  0  0
 17 11  1  0  0  0  0
 18 16  1  0  0  0  0
 19  9  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
  8  4  1  0  0  0  0
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 10 12  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (215)
215

>  <Formula> (215)
C15H12ClNO4

>  <MolWeight> (215)
305.71308

>  <Cat> (215)
P3387

>  <Name> (215)
WAY-337647

>  <Synonyms> (215)
N/A

>  <Target> (215)
f mitogen-activated protein kinase kinase 4

>  <Form> (215)
free base

>  <CAS> (215)
1402605-80-4

>  <URL> (215)
N/A

$$$$
WAY-612453
csChFnd80/09262109422D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (216)
216

>  <Formula> (216)
C9H8Cl2N4S

>  <MolWeight> (216)
275.15762

>  <Cat> (216)
P3446

>  <Name> (216)
WAY-612453

>  <Synonyms> (216)
N/A

>  <Target> (216)
Anti-infection

>  <Form> (216)
free base

>  <CAS> (216)
300809-10-3

>  <URL> (216)
N/A

$$$$
WAY-612622
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.1708   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  3  2  0  0  0  0
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 14 12  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (217)
217

>  <Formula> (217)
C16H11FN2O2

>  <MolWeight> (217)
282.2691432

>  <Cat> (217)
P3447

>  <Name> (217)
WAY-612622

>  <Synonyms> (217)
N/A

>  <Target> (217)
CDK

>  <Form> (217)
free base

>  <CAS> (217)
288401-60-5

>  <URL> (217)
N/A

$$$$
WAY-612698
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
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 15  6  1  0  0  0  0
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 23 22  1  0  0  0  0
 19 15  2  0  0  0  0
M  END
>  <Mol_ID> (218)
218

>  <Formula> (218)
C17H19NO4S

>  <MolWeight> (218)
333.40206

>  <Cat> (218)
P3448

>  <Name> (218)
WAY-612698

>  <Synonyms> (218)
N/A

>  <Target> (218)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (218)
free base

>  <CAS> (218)
565191-45-9

>  <URL> (218)
N/A

$$$$
WAY-612763
csChFnd80/09262109422D

 33 35  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
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  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7 16  2  0  0  0  0
  8 15  1  0  0  0  0
  9  4  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12  2  2  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15 13  2  0  0  0  0
 16  2  1  0  0  0  0
 17  9  1  0  0  0  0
 18 31  1  0  0  0  0
 19 30  1  0  0  0  0
 20  4  2  0  0  0  0
 21  9  2  0  0  0  0
 22 10  2  0  0  0  0
 23 17  1  0  0  0  0
 24 13  1  0  0  0  0
 25 21  1  0  0  0  0
 26 14  2  0  0  0  0
 27  1  1  0  0  0  0
 28  1  1  0  0  0  0
 29  1  1  0  0  0  0
 30 24  2  0  0  0  0
 31 14  1  0  0  0  0
 32 11  1  0  0  0  0
 33 19  1  0  0  0  0
  3 11  2  0  0  0  0
 19  8  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (219)
219

>  <Formula> (219)
C21H15ClF3N3O5

>  <MolWeight> (219)
481.8091096

>  <Cat> (219)
P3449

>  <Name> (219)
WAY-612763

>  <Synonyms> (219)
N/A

>  <Target> (219)
YycG histidine kinase

>  <Form> (219)
free base

>  <CAS> (219)
479060-67-8

>  <URL> (219)
N/A

$$$$
WAY-630308
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.1625    0.8333    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  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  2  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16  6  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 12  1  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
  6  4  2  0  0  0  0
  7  9  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (220)
220

>  <Formula> (220)
C16H21N3O3

>  <MolWeight> (220)
303.35624

>  <Cat> (220)
P3469

>  <Name> (220)
WAY-630308

>  <Synonyms> (220)
N/A

>  <Target> (220)
Casein kinase 1¦Ä

>  <Form> (220)
free base

>  <CAS> (220)
326034-30-4

>  <URL> (220)
N/A

$$$$
WAY-630363
csChFnd80/09262109422D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.7583    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
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 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14  2  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 10  2  0  0  0  0
 20 13  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
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 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  3  5  1  0  0  0  0
  9  7  1  0  0  0  0
 26 25  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (221)
221

>  <Formula> (221)
C19H15N3O3S

>  <MolWeight> (221)
365.4057

>  <Cat> (221)
P3470

>  <Name> (221)
WAY-630363

>  <Synonyms> (221)
N/A

>  <Target> (221)
Casein kinase 1¦Ä

>  <Form> (221)
free base

>  <CAS> (221)
729579-66-2

>  <URL> (221)
N/A

$$$$
WAY-647361
csChFnd80/09262109422D

 14 15  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  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14  4  1  0  0  0  0
  5  4  1  0  0  0  0
 10  6  2  0  0  0  0
M  END
>  <Mol_ID> (222)
222

>  <Formula> (222)
C8H6N2O4

>  <MolWeight> (222)
194.14424

>  <Cat> (222)
P3504

>  <Name> (222)
WAY-647361

>  <Synonyms> (222)
N/A

>  <Target> (222)
 PI3K

>  <Form> (222)
free base

>  <CAS> (222)
852399-94-1

>  <URL> (222)
N/A

$$$$
WAY-647636
csChFnd80/09262109422D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -4.2712   -0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (223)
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WAY-647636

>  <Synonyms> (223)
N/A

>  <Target> (223)
Casein kinase 1¦Ä

>  <Form> (223)
free base

>  <CAS> (223)
556055-08-4

>  <URL> (223)
N/A

$$$$
WAY-647729
csChFnd80/09262109422D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 13  2  1  0  0  0  0
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M  END
>  <Mol_ID> (224)
224

>  <Formula> (224)
C16H11N3OS

>  <MolWeight> (224)
293.34304

>  <Cat> (224)
P3506

>  <Name> (224)
WAY-647729

>  <Synonyms> (224)
N/A

>  <Target> (224)
CDK

>  <Form> (224)
free base

>  <CAS> (224)
852678-17-2

>  <URL> (224)
N/A

$$$$
WAY-647766
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (225)
225

>  <Formula> (225)
C16H12N6S

>  <MolWeight> (225)
320.37168

>  <Cat> (225)
P3507

>  <Name> (225)
WAY-647766

>  <Synonyms> (225)
N/A

>  <Target> (225)
Casein kinase 1¦Ä

>  <Form> (225)
free base

>  <CAS> (225)
851168-98-4

>  <URL> (225)
N/A

$$$$
WAY-647802
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (226)
226

>  <Formula> (226)
C11H14N4O3

>  <MolWeight> (226)
250.25386

>  <Cat> (226)
P3508

>  <Name> (226)
WAY-647802

>  <Synonyms> (226)
N/A

>  <Target> (226)
EGFR,CDK4 and 6

>  <Form> (226)
free base

>  <CAS> (226)
852225-20-8

>  <URL> (226)
N/A

$$$$
WAY-648936
csChFnd80/09262109422D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (227)
227

>  <Formula> (227)
C13H10N4O

>  <MolWeight> (227)
238.2447

>  <Cat> (227)
P3509

>  <Name> (227)
WAY-648936

>  <Synonyms> (227)
N/A

>  <Target> (227)
CDK

>  <Form> (227)
free base

>  <CAS> (227)
796888-73-8

>  <URL> (227)
N/A

$$$$
WAY-649123
csChFnd80/09262109422D

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TGF-¦Â,p38-a

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free base

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801244-46-2

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N/A

$$$$
WL-300778
csChFnd80/09262109422D

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free base

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802980-14-9

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N/A

$$$$
WAY-333175
csChFnd80/09262109422D

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N/A

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free base

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75620-25-6

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N/A

$$$$
WAY-333184
csChFnd80/09262109422D

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GSK-3b

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free base

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863004-48-2

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N/A

$$$$
WAY-643018
csChFnd80/09262109422D

 23 26  0  0  0  0  0  0  0  0999 V2000
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CDK

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677701-62-1

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N/A

$$$$
WAY-332616
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233

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WAY-332616

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free base

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904457-46-1

>  <URL> (233)
N/A

$$$$
WAY-332647
csChFnd80/09262109422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (234)
234

>  <Formula> (234)
C19H21NO3S

>  <MolWeight> (234)
343.43994

>  <Cat> (234)
P3767

>  <Name> (234)
WAY-332647

>  <Synonyms> (234)
N/A

>  <Target> (234)
pyruvate kinase

>  <Form> (234)
free base

>  <CAS> (234)
902516-53-4

>  <URL> (234)
N/A

$$$$
WAY-624704
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 21  8  1  0  0  0  0
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M  END
>  <Mol_ID> (235)
235

>  <Formula> (235)
C17H15N3O2S

>  <MolWeight> (235)
325.3849

>  <Cat> (235)
P3766

>  <Name> (235)
WAY-624704

>  <Synonyms> (235)
N/A

>  <Target> (235)
ROCK

>  <Form> (235)
free base

>  <CAS> (235)
692869-38-8

>  <URL> (235)
N/A

$$$$
WAY-625135
csChFnd80/09262109422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  2  0  0  0  0
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 15 14  2  0  0  0  0
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 17 12  2  0  0  0  0
M  END
>  <Mol_ID> (236)
236

>  <Formula> (236)
C14H12N2O3S

>  <MolWeight> (236)
288.32168

>  <Cat> (236)
P3707

>  <Name> (236)
WAY-625135

>  <Synonyms> (236)
N/A

>  <Target> (236)
Casein kinase 1¦Ä

>  <Form> (236)
free base

>  <CAS> (236)
756865-45-9

>  <URL> (236)
N/A

$$$$
WAY-626309
csChFnd80/09262109422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14 18  1  0  0  0  0
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 16  4  1  0  0  0  0
 17 12  1  0  0  0  0
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 22 21  1  0  0  0  0
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 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (237)
237

>  <Formula> (237)
C19H16N2O2S

>  <MolWeight> (237)
336.40754

>  <Cat> (237)
P3765

>  <Name> (237)
WAY-626309

>  <Synonyms> (237)
N/A

>  <Target> (237)
c-Jun N-terminal kinase

>  <Form> (237)
free base

>  <CAS> (237)
756849-36-2

>  <URL> (237)
N/A

$$$$
WAY-646458
csChFnd80/09262109422D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11  9  2  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
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 16  5  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  2  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
  5  2  1  0  0  0  0
 12 13  2  0  0  0  0
 20 16  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (238)
238

>  <Formula> (238)
C16H10N2O2

>  <MolWeight> (238)
262.2628

>  <Cat> (238)
P3706

>  <Name> (238)
WAY-646458

>  <Synonyms> (238)
N/A

>  <Target> (238)
Casein kinase 1d

>  <Form> (238)
free base

>  <CAS> (238)
852413-92-4

>  <URL> (238)
N/A

$$$$
WAY-313318
csChFnd80/09262109422D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (239)
239

>  <Formula> (239)
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>  <MolWeight> (239)
293.1513

>  <Cat> (239)
P3734

>  <Name> (239)
WAY-313318

>  <Synonyms> (239)
N/A

>  <Target> (239)
RSK2

>  <Form> (239)
free base

>  <CAS> (239)
351993-88-9

>  <URL> (239)
N/A

$$$$
WAY-239448
csChFnd80/09262109422D

 15 17  0  0  0  0  0  0  0  0999 V2000
    5.8361    1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (240)
240

>  <Formula> (240)
C11H12N2S2

>  <MolWeight> (240)
236.35638

>  <Cat> (240)
P3683

>  <Name> (240)
WAY-239448

>  <Synonyms> (240)
N/A

>  <Target> (240)
CK2,Anti-infection

>  <Form> (240)
free base

>  <CAS> (240)
314260-78-1

>  <URL> (240)
N/A

$$$$
WAY-299562
csChFnd80/09262109422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
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  5  9  2  0  0  0  0
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 11 15  1  0  0  0  0
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  7  8  1  0  0  0  0
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M  END
>  <Mol_ID> (241)
241

>  <Formula> (241)
C16H13NO3

>  <MolWeight> (241)
267.27932

>  <Cat> (241)
P3698

>  <Name> (241)
WAY-299562

>  <Synonyms> (241)
N/A

>  <Target> (241)
PKA,AKAP

>  <Form> (241)
free base

>  <CAS> (241)
299934-88-6

>  <URL> (241)
N/A

$$$$
WAY-300507
csChFnd80/09262109422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   -3.7062    1.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5187    1.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11 18  1  0  0  0  0
 12 11  2  0  0  0  0
 13  1  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
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 20  9  1  0  0  0  0
 21 19  2  0  0  0  0
 22 14  1  0  0  0  0
 23 20  2  0  0  0  0
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  3  5  1  0  0  0  0
 14 21  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (242)
242

>  <Formula> (242)
C18H15NO3S2

>  <MolWeight> (242)
357.4466

>  <Cat> (242)
P3774

>  <Name> (242)
WAY-300507

>  <Synonyms> (242)
N/A

>  <Target> (242)
beta-catenin,MKK4

>  <Form> (242)
free base

>  <CAS> (242)
301688-74-4

>  <URL> (242)
N/A

$$$$
WAY-301524-A
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  2  5  1  0  0  0  0
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  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
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (243)
243

>  <Formula> (243)
C15H13N3O2S

>  <MolWeight> (243)
299.34762

>  <Cat> (243)
P3725

>  <Name> (243)
WAY-301524-A

>  <Synonyms> (243)
N/A

>  <Target> (243)
CK2

>  <Form> (243)
free base

>  <CAS> (243)
474263-21-3

>  <URL> (243)
N/A

$$$$
WAY-301527
csChFnd80/09262109422D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 20 22  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 17 18  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (244)
244

>  <Formula> (244)
C16H15N3O2S

>  <MolWeight> (244)
313.3742

>  <Cat> (244)
P3747

>  <Name> (244)
WAY-301527

>  <Synonyms> (244)
N/A

>  <Target> (244)
Casein Kinase

>  <Form> (244)
free base

>  <CAS> (244)
315682-22-5

>  <URL> (244)
N/A

$$$$
WAY-388756
csChFnd80/09262109422D

 16 18  0  0  0  0  0  0  0  0999 V2000
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N/A

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WAY-310410
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free base

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N/A

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WAY-297152
csChFnd80/09262109422D

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free base

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N/A

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WAY-297174
csChFnd80/09262109422D

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free base

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N/A

$$$$
WAY-297674
csChFnd80/09262109422D

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N/A

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CK2

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free base

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313985-59-0

>  <URL> (249)
N/A

$$$$
WAY-298630
csChFnd80/09262109422D

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free base

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303134-93-2

>  <URL> (250)
N/A

$$$$
WAY-299017
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  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
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 20 22  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (251)
251

>  <Formula> (251)
C17H14N2O3

>  <MolWeight> (251)
294.30466

>  <Cat> (251)
P3730

>  <Name> (251)
WAY-299017

>  <Synonyms> (251)
N/A

>  <Target> (251)
PI3Ka

>  <Form> (251)
free base

>  <CAS> (251)
300803-79-6

>  <URL> (251)
N/A

$$$$
WAY-299359
csChFnd80/09262109422D

 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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  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (252)
252

>  <Formula> (252)
C14H18N2O3S

>  <MolWeight> (252)
294.36932

>  <Cat> (252)
P3729

>  <Name> (252)
WAY-299359

>  <Synonyms> (252)
N/A

>  <Target> (252)
FLT3, Tubulin

>  <Form> (252)
free base

>  <CAS> (252)
1005057-81-7

>  <URL> (252)
N/A

$$$$
WAY-117443
csChFnd80/09262109422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   15.8425    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0985    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1770    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  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  2  0  0  0  0
 15 17  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20  3  1  0  0  0  0
 21 13  1  0  0  0  0
 22 15  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
  5  7  1  0  0  0  0
  8 10  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (253)
253

>  <Formula> (253)
C19H18O5

>  <MolWeight> (253)
326.34322

>  <Cat> (253)
P3752

>  <Name> (253)
WAY-117443

>  <Synonyms> (253)
N/A

>  <Target> (253)
GRK6,DOPA decarboxylase

>  <Form> (253)
free base

>  <CAS> (253)
1164562-43-9

>  <URL> (253)
N/A

$$$$
WAY-304191
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.9034    0.6069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    1.3276   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3517    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  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
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  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  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (254)
254

>  <Formula> (254)
C18H25NO2

>  <MolWeight> (254)
287.3966

>  <Cat> (254)
P3745

>  <Name> (254)
WAY-304191

>  <Synonyms> (254)
N/A

>  <Target> (254)
FLT3 receptor

>  <Form> (254)
free base

>  <CAS> (254)
510724-22-8

>  <URL> (254)
N/A

$$$$
WAY-226683
csChFnd80/09262109422D

 19 20  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
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  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
  6 11  1  0  0  0  0
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 10 13  1  0  0  0  0
 12 14  2  0  0  0  0
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 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (255)
255

>  <Formula> (255)
C14H14N2O3

>  <MolWeight> (255)
258.27256

>  <Cat> (255)
P3697

>  <Name> (255)
WAY-226683

>  <Synonyms> (255)
N/A

>  <Target> (255)
Rho

>  <Form> (255)
free base

>  <CAS> (255)
309736-94-5

>  <URL> (255)
N/A

$$$$
WAY-306955
csChFnd80/09262109422D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
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 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  9  2  0  0  0  0
 12 15  1  0  0  0  0
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 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (256)
256

>  <Formula> (256)
C17H14N4S

>  <MolWeight> (256)
306.38486

>  <Cat> (256)
P3770

>  <Name> (256)
WAY-306955

>  <Synonyms> (256)
N/A

>  <Target> (256)
p38a MAPK

>  <Form> (256)
free base

>  <CAS> (256)
315703-48-1

>  <URL> (256)
N/A

$$$$
WAY-380153
csChFnd80/09262109422D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    3.0101    0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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WAY-312858
csChFnd80/09262109422D

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WAY-278705
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WAY-663387
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WAY-644841
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N/A

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WAY-273339
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>  <Mol_ID> (263)
263

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N/A

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IGF-1R

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free base

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443097-57-2

>  <URL> (263)
N/A

$$$$
WAY-277364
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (264)
264

>  <Formula> (264)
C20H17FN4O

>  <MolWeight> (264)
348.3735832

>  <Cat> (264)
P3764

>  <Name> (264)
WAY-277364

>  <Synonyms> (264)
N/A

>  <Target> (264)
Akt

>  <Form> (264)
free base

>  <CAS> (264)
771498-80-7

>  <URL> (264)
N/A

$$$$
WAY-337530
csChFnd80/09262109422D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 17  1  0  0  0  0
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 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
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 15  8  1  0  0  0  0
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 17 15  2  0  0  0  0
 18  2  1  0  0  0  0
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M  END
>  <Mol_ID> (265)
265

>  <Formula> (265)
C21H22N2O2

>  <MolWeight> (265)
334.41158

>  <Cat> (265)
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>  <Name> (265)
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>  <Synonyms> (265)
N/A

>  <Target> (265)
CLK-1

>  <Form> (265)
free base

>  <CAS> (265)
332939-29-4

>  <URL> (265)
N/A

$$$$
WAY-337532
csChFnd80/09262109422D

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>  <Mol_ID> (266)
266

>  <Formula> (266)
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>  <MolWeight> (266)
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>  <Cat> (266)
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>  <Name> (266)
WAY-337532

>  <Synonyms> (266)
N/A

>  <Target> (266)
CLK-1

>  <Form> (266)
free base

>  <CAS> (266)
332939-49-8

>  <URL> (266)
N/A

$$$$
WAY-628644
csChFnd80/09262109422D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (267)
267

>  <Formula> (267)
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>  <MolWeight> (267)
214.26306

>  <Cat> (267)
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>  <Name> (267)
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>  <Synonyms> (267)
N/A

>  <Target> (267)
p38

>  <Form> (267)
free base

>  <CAS> (267)
377760-40-2

>  <URL> (267)
N/A

$$$$
WAY-270250
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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N/A

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IGF-1R,SRC

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free base

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852367-46-5

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N/A

$$$$
WAY-270252
csChFnd80/09262109422D

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>  <Mol_ID> (269)
269

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WAY-270252

>  <Synonyms> (269)
N/A

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IGF-1R,SRC

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free base

>  <CAS> (269)
61-38-1

>  <URL> (269)
N/A

$$$$
WAY-615145
csChFnd80/09262109422D

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>  <Mol_ID> (270)
270

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C16H18N2OS

>  <MolWeight> (270)
286.39192

>  <Cat> (270)
P3761

>  <Name> (270)
WAY-615145

>  <Synonyms> (270)
N/A

>  <Target> (270)
glucokinase

>  <Form> (270)
free base

>  <CAS> (270)
536736-95-5

>  <URL> (270)
N/A

$$$$
WAY-613982
csChFnd80/09262109422D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
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271

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>  <Synonyms> (271)
N/A

>  <Target> (271)
CK2

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free base

>  <CAS> (271)
330449-39-3

>  <URL> (271)
N/A

$$$$
WAY-650334
csChFnd80/09262109422D

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>  <Mol_ID> (272)
272

>  <Formula> (272)
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>  <MolWeight> (272)
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WAY-650334

>  <Synonyms> (272)
N/A

>  <Target> (272)
MAP2K4

>  <Form> (272)
free base

>  <CAS> (272)
847773-02-8

>  <URL> (272)
N/A

$$$$
GI-570482
csChFnd80/09262109422D

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>  <Mol_ID> (273)
273

>  <Formula> (273)
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>  <MolWeight> (273)
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>  <Name> (273)
GI-570482

>  <Synonyms> (273)
N/A

>  <Target> (273)
ExoS ADPRT,MET,USP14

>  <Form> (273)
free base

>  <CAS> (273)
109164-47-8

>  <URL> (273)
N/A

$$$$
WAY-272160
csChFnd80/09262109422D

 24 27  0  0  0  0  0  0  0  0999 V2000
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WAY-272160

>  <Synonyms> (274)
N/A

>  <Target> (274)
 topoisomerase II,HER2

>  <Form> (274)
free base

>  <CAS> (274)
489413-54-9

>  <URL> (274)
N/A

$$$$
WAY-320461
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (275)
275

>  <Formula> (275)
C15H10BrN3O2S

>  <MolWeight> (275)
376.2278

>  <Cat> (275)
P3760

>  <Name> (275)
WAY-320461

>  <Synonyms> (275)
N/A

>  <Target> (275)
FAK

>  <Form> (275)
free base

>  <CAS> (275)
491839-65-7

>  <URL> (275)
N/A

$$$$
WAY-603392
csChFnd80/09262109422D

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>  <Mol_ID> (276)
276

>  <Formula> (276)
C11H16N2O3S

>  <MolWeight> (276)
256.32134

>  <Cat> (276)
P3685

>  <Name> (276)
WAY-603392

>  <Synonyms> (276)
N/A

>  <Target> (276)
AKT(PKB) phosphorylation,ion channel

>  <Form> (276)
free base

>  <CAS> (276)
329906-01-6

>  <URL> (276)
N/A

$$$$
WAY-321341
csChFnd80/09262109422D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (277)
277

>  <Formula> (277)
C24H22N4O

>  <MolWeight> (277)
382.45768

>  <Cat> (277)
P3759

>  <Name> (277)
WAY-321341

>  <Synonyms> (277)
N/A

>  <Target> (277)
SYK,Immunology & Inflammation related

>  <Form> (277)
free base

>  <CAS> (277)
314027-66-2

>  <URL> (277)
N/A

$$$$
WAY-322243
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (278)
278

>  <Formula> (278)
C18H18N2O2S

>  <MolWeight> (278)
326.41272

>  <Cat> (278)
P3736

>  <Name> (278)
WAY-322243

>  <Synonyms> (278)
N/A

>  <Target> (278)
CLK-1

>  <Form> (278)
free base

>  <CAS> (278)
332939-32-9

>  <URL> (278)
N/A

$$$$
WAY-313218
csChFnd80/09262109422D

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>  <Mol_ID> (279)
279

>  <Formula> (279)
C19H20FNO

>  <MolWeight> (279)
297.3666032

>  <Cat> (279)
P3321

>  <Name> (279)
WAY-313218

>  <Synonyms> (279)
N/A

>  <Target> (279)
11¦Â-HSD1 

>  <Form> (279)
free base

>  <CAS> (279)
260428-69-1

>  <URL> (279)
N/A

$$$$
WAY-313013
csChFnd80/09262109422D

 16 17  0  0  0  0  0  0  0  0999 V2000
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   -2.2000    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897    0.1931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8517   -0.9345    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724   -0.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8 10  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (280)
280

>  <Formula> (280)
C12H14BrNO2

>  <MolWeight> (280)
284.14906

>  <Cat> (280)
P3319

>  <Name> (280)
WAY-313013

>  <Synonyms> (280)
N/A

>  <Target> (280)
p38,histamine-3 (H3) receptor

>  <Form> (280)
free base

>  <CAS> (280)
326898-76-4

>  <URL> (280)
N/A

$$$$
GI-560708
csChFnd80/09262109422D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    0.6394   -1.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6153    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0468   -0.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5912   -2.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1847    1.7870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  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  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
 14 17  1  0  0  0  0
 16 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
 19 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
 25 26  1  0  0  0  0
  8 10  2  0  0  0  0
 15 17  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (281)
281

>  <Formula> (281)
C20H18N4O2

>  <MolWeight> (281)
346.38252

>  <Cat> (281)
P3258

>  <Name> (281)
GI-560708

>  <Synonyms> (281)
N/A

>  <Target> (281)
BCR-ABL 

>  <Form> (281)
free base

>  <CAS> (281)
2362-25-6

>  <URL> (281)
N/A

$$$$
WAY-311066
csChFnd80/09262109422D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.0655    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    0.9862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1897    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0655   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931    1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -2.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 21 25  2  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
 15 20  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (282)
282

>  <Formula> (282)
C21H17N3O3

>  <MolWeight> (282)
359.37798

>  <Cat> (282)
P3314

>  <Name> (282)
WAY-311066

>  <Synonyms> (282)
N/A

>  <Target> (282)
Casein kinase 1¦Ä

>  <Form> (282)
free base

>  <CAS> (282)
332074-85-8

>  <URL> (282)
N/A

$$$$
WAY-312567
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.5101    0.2860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0101    1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8899    1.0274    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7481   -1.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6899   -0.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1308    1.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9101    0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3519    0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308   -2.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9101    1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519    0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519   -2.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7105   -0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6105   -0.5140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  5  7  1  0  0  0  0
 12 16  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (283)
283

>  <Formula> (283)
C16H20N2O2S

>  <MolWeight> (283)
304.4072

>  <Cat> (283)
P3317

>  <Name> (283)
WAY-312567

>  <Synonyms> (283)
N/A

>  <Target> (283)
Anti-infection

>  <Form> (283)
free base

>  <CAS> (283)
330955-59-4

>  <URL> (283)
N/A

$$$$
WAY-312157
csChFnd80/09262109422D

 19 21  0  0  0  0  0  0  0  0999 V2000
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   -0.4793    3.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3379   -2.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    3.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862    4.0483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -1.8483    5.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931   -2.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2828   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (284)
284

>  <Formula> (284)
C14H18N2O2S

>  <MolWeight> (284)
278.36992

>  <Cat> (284)
P3316

>  <Name> (284)
WAY-312157

>  <Synonyms> (284)
N/A

>  <Target> (284)
ATP-utilizing enzyme

>  <Form> (284)
free base

>  <CAS> (284)
354544-70-0

>  <URL> (284)
N/A

$$$$
WAY-114228
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2833    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2833    2.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    2.8115    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0722    4.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8495    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    2.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    6.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5060    2.0851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395    2.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2227    2.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2227    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    2.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1682    2.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9630    2.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3790    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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> (285)
285

>  <Formula> (285)
C21H23NO

>  <MolWeight> (285)
305.41342

>  <Cat> (285)
P3264

>  <Name> (285)
WAY-114228

>  <Synonyms> (285)
N/A

>  <Target> (285)
MEK1

>  <Form> (285)
free base

>  <CAS> (285)
333325-96-5

>  <URL> (285)
N/A

$$$$
WAY-239320
csChFnd80/09262109422D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
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  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16  6  1  0  0  0  0
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 18 22  1  0  0  0  0
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 22 13  2  0  0  0  0
 23 18  1  0  0  0  0
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 25 27  1  0  0  0  0
 26 16  1  0  0  0  0
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 28 24  1  0  0  0  0
 29 23  1  0  0  0  0
  4  3  2  0  0  0  0
 18 20  2  0  0  0  0
  8 11  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (286)
286

>  <Formula> (286)
C22H21N3O4

>  <MolWeight> (286)
391.41984

>  <Cat> (286)
P3268

>  <Name> (286)
WAY-239320

>  <Synonyms> (286)
N/A

>  <Target> (286)
Chk1,Aurora kinase,Adenosine Kinase

>  <Form> (286)
free base

>  <CAS> (286)
378775-98-5

>  <URL> (286)
N/A

$$$$
WAY-248134
csChFnd80/09262109422D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
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 12 14  1  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> (287)
287

>  <Formula> (287)
C10H11N3OS

>  <MolWeight> (287)
221.27884

>  <Cat> (287)
P3270

>  <Name> (287)
WAY-248134

>  <Synonyms> (287)
N/A

>  <Target> (287)
LIMK1£¬IKK¦Â

>  <Form> (287)
free base

>  <CAS> (287)
67795-42-0

>  <URL> (287)
N/A

$$$$
WAY-296817
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 20 23  1  0  0  0  0
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (288)
288

>  <Formula> (288)
C17H16N2O3S

>  <MolWeight> (288)
328.38554

>  <Cat> (288)
P3296

>  <Name> (288)
WAY-296817

>  <Synonyms> (288)
N/A

>  <Target> (288)
casein kinase 1

>  <Form> (288)
free base

>  <CAS> (288)
349438-74-0

>  <URL> (288)
N/A

$$$$
WAY-296818
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (289)
289

>  <Formula> (289)
C17H16N2O2S

>  <MolWeight> (289)
312.38614

>  <Cat> (289)
P3297

>  <Name> (289)
WAY-296818

>  <Synonyms> (289)
N/A

>  <Target> (289)
casein kinase 1

>  <Form> (289)
free base

>  <CAS> (289)
349438-77-3

>  <URL> (289)
N/A

$$$$
WAY-635764
csChFnd80/09262109422D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (290)
290

>  <Formula> (290)
C23H31N3O5

>  <MolWeight> (290)
429.50934

>  <Cat> (290)
P3487

>  <Name> (290)
WAY-635764

>  <Synonyms> (290)
N/A

>  <Target> (290)
Aurora kinase A

>  <Form> (290)
free base

>  <CAS> (290)
790267-88-8

>  <URL> (290)
N/A

$$$$
WAY-271147
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13 10  2  0  0  0  0
 14 21  1  0  0  0  0
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 16  6  2  0  0  0  0
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 20 18  1  0  0  0  0
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 22  8  2  0  0  0  0
 23 15  1  0  0  0  0
  5  4  2  0  0  0  0
 22 13  1  0  0  0  0
 20 14  2  0  0  0  0
M  END
>  <Mol_ID> (291)
291

>  <Formula> (291)
C17H12N2O4

>  <MolWeight> (291)
308.28818

>  <Cat> (291)
P3281

>  <Name> (291)
WAY-271147

>  <Synonyms> (291)
N/A

>  <Target> (291)
VEGFR

>  <Form> (291)
free base

>  <CAS> (291)
683235-34-9

>  <URL> (291)
N/A

$$$$
WAY-600632
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  2  5  2  0  0  0  0
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  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
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  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
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 11 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 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> (292)
292

>  <Formula> (292)
C14H9N3O2S2

>  <MolWeight> (292)
315.37016

>  <Cat> (292)
P3423

>  <Name> (292)
WAY-600632

>  <Synonyms> (292)
N/A

>  <Target> (292)
Casein kinase 1¦Ä

>  <Form> (292)
free base

>  <CAS> (292)
438018-70-3

>  <URL> (292)
N/A

$$$$
WAY-601258
csChFnd80/09262109422D

 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
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
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  7  2  1  0  0  0  0
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 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> (293)
293

>  <Formula> (293)
C13H12N4OS2

>  <MolWeight> (293)
304.39058

>  <Cat> (293)
P3428

>  <Name> (293)
WAY-601258

>  <Synonyms> (293)
N/A

>  <Target> (293)
Anti-infection

>  <Form> (293)
free base

>  <CAS> (293)
496023-52-0

>  <URL> (293)
N/A

$$$$
WAY-601323
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6500   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  6  8  1  0  0  0  0
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 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
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 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> (294)
294

>  <Formula> (294)
C16H18N4O2

>  <MolWeight> (294)
298.33972

>  <Cat> (294)
P3429

>  <Name> (294)
WAY-601323

>  <Synonyms> (294)
N/A

>  <Target> (294)
CDK9 

>  <Form> (294)
free base

>  <CAS> (294)
324778-48-5

>  <URL> (294)
N/A

$$$$
WAY-600704-A
csChFnd80/09262109422D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.5756    0.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  2  0  0  0  0
  8  3  1  0  0  0  0
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 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
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 18 12  1  0  0  0  0
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 20 19  1  0  0  0  0
 11 10  1  0  0  0  0
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  5  3  1  0  0  0  0
M  END
>  <Mol_ID> (295)
295

>  <Formula> (295)
C17H22N2O

>  <MolWeight> (295)
270.36938

>  <Cat> (295)
P3424

>  <Name> (295)
WAY-600704

>  <Synonyms> (295)
N/A

>  <Target> (295)
ethanolamine kinase

>  <Form> (295)
free base

>  <CAS> (295)
301330-94-9

>  <URL> (295)
N/A

$$$$
WAY-600868
csChFnd80/09262109422D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.3582   -0.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (296)
296

>  <Formula> (296)
C13H9FN2S

>  <MolWeight> (296)
244.2873632

>  <Cat> (296)
P3425

>  <Name> (296)
WAY-600868

>  <Synonyms> (296)
N/A

>  <Target> (296)
FGFR3

>  <Form> (296)
free base

>  <CAS> (296)
348-45-8

>  <URL> (296)
N/A

$$$$
CL-104773
csChFnd80/09262109422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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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> (297)
297

>  <Formula> (297)
C17H14N2O

>  <MolWeight> (297)
262.30586

>  <Cat> (297)
P3253

>  <Name> (297)
CL-104773

>  <Synonyms> (297)
N/A

>  <Target> (297)
TLR, JAK2, fatty acid amide hydrolase

>  <Form> (297)
free base

>  <CAS> (297)
802980-92-3

>  <URL> (297)
N/A

$$$$
WAY-269040
csChFnd80/09262109422D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
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  4  1  1  0  0  0  0
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  6  1  2  0  0  0  0
  7  2  2  0  0  0  0
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 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
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 22 18  2  0  0  0  0
 23 17  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
  2  3  1  0  0  0  0
  9  7  1  0  0  0  0
 24 19  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (298)
298

>  <Formula> (298)
C20H23N3OS

>  <MolWeight> (298)
353.48112

>  <Cat> (298)
P3271

>  <Name> (298)
WAY-269040

>  <Synonyms> (298)
N/A

>  <Target> (298)
Anti-infection

>  <Form> (298)
free base

>  <CAS> (298)
846065-09-6

>  <URL> (298)
N/A

$$$$
WAY-339696
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 19  1  0  0  0  0
 19 11  2  0  0  0  0
 20 18  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  2  0  0  0  0
  7  6  2  0  0  0  0
 22 21  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (299)
299

>  <Formula> (299)
C16H11BrN2O3

>  <MolWeight> (299)
359.17414

>  <Cat> (299)
P3388

>  <Name> (299)
WAY-339696

>  <Synonyms> (299)
N/A

>  <Target> (299)
 EGFR-T790M/L858R

>  <Form> (299)
free base

>  <CAS> (299)
333419-97-9

>  <URL> (299)
N/A

$$$$
WAY-349290
csChFnd80/09262109422D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 10 13  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (300)
300

>  <Formula> (300)
C12H7ClN2OS

>  <MolWeight> (300)
262.71478

>  <Cat> (300)
P3396

>  <Name> (300)
WAY-349290

>  <Synonyms> (300)
N/A

>  <Target> (300)
Pim,MCH receptor

>  <Form> (300)
free base

>  <CAS> (300)
215928-66-8

>  <URL> (300)
N/A

$$$$
WAY-613473
csChFnd80/09262109422D

 28 31  0  0  0  0  0  0  0  0999 V2000
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301

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N/A

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HIV,JAK-2,PI3K

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free base

>  <CAS> (301)
301357-74-4

>  <URL> (301)
N/A

$$$$
WAY-613991
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (302)
302

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C23H17N3O4

>  <MolWeight> (302)
399.39878

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P3451

>  <Name> (302)
WAY-613991

>  <Synonyms> (302)
N/A

>  <Target> (302)
Casein kinase 1d

>  <Form> (302)
free base

>  <CAS> (302)
565167-37-5

>  <URL> (302)
N/A

$$$$
WAY-630998
csChFnd80/09262109422D

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 11  1  2  0  0  0  0
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M  END
>  <Mol_ID> (303)
303

>  <Formula> (303)
C21H22N4O

>  <MolWeight> (303)
346.42558

>  <Cat> (303)
P3471

>  <Name> (303)
WAY-630998

>  <Synonyms> (303)
N/A

>  <Target> (303)
p38a

>  <Form> (303)
free base

>  <CAS> (303)
251106-30-6

>  <URL> (303)
N/A

$$$$
WAY-631127
csChFnd80/09262109422D

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>  <Mol_ID> (304)
304

>  <Formula> (304)
C24H18ClN3O3

>  <MolWeight> (304)
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>  <Cat> (304)
P3472

>  <Name> (304)
WAY-631127

>  <Synonyms> (304)
N/A

>  <Target> (304)
Casein kinase 1¦Ä

>  <Form> (304)
free base

>  <CAS> (304)
756849-12-4

>  <URL> (304)
N/A

$$$$
WAY-631545
csChFnd80/09262109422D

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>  <Mol_ID> (305)
305

>  <Formula> (305)
C12H6ClFN2S

>  <MolWeight> (305)
264.7058432

>  <Cat> (305)
P3473

>  <Name> (305)
WAY-631545

>  <Synonyms> (305)
N/A

>  <Target> (305)
others

>  <Form> (305)
free base

>  <CAS> (305)
681260-56-0

>  <URL> (305)
N/A

$$$$
WAY-632021
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (306)
306

>  <Formula> (306)
C13H10ClN3S

>  <MolWeight> (306)
275.7566

>  <Cat> (306)
P3474

>  <Name> (306)
WAY-632021

>  <Synonyms> (306)
N/A

>  <Target> (306)
TIE-2,Raf,phosphodiesterase V

>  <Form> (306)
free base

>  <CAS> (306)
742094-64-0

>  <URL> (306)
N/A

$$$$
WAY-632323
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (307)
307

>  <Formula> (307)
C18H15N5S2

>  <MolWeight> (307)
365.4752

>  <Cat> (307)
P3475

>  <Name> (307)
WAY-632323

>  <Synonyms> (307)
N/A

>  <Target> (307)
Casein kinase 1¦Ä

>  <Form> (307)
free base

>  <CAS> (307)
782457-22-1

>  <URL> (307)
N/A

$$$$
WAY-650313
csChFnd80/09262109422D

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 10  6  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
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 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
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M  END
>  <Mol_ID> (308)
308

>  <Formula> (308)
C23H18FN3O

>  <MolWeight> (308)
371.4069232

>  <Cat> (308)
P3511

>  <Name> (308)
WAY-650313

>  <Synonyms> (308)
N/A

>  <Target> (308)
Casein kinase 1¦Ä

>  <Form> (308)
free base

>  <CAS> (308)
847772-08-1

>  <URL> (308)
N/A

$$$$
WAY-650886
csChFnd80/09262109422D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 13  2  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
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M  END
>  <Mol_ID> (309)
309

>  <Formula> (309)
C19H16N4O2

>  <MolWeight> (309)
332.35594

>  <Cat> (309)
P3512

>  <Name> (309)
WAY-650886

>  <Synonyms> (309)
N/A

>  <Target> (309)
Casein kinase 1¦Ä

>  <Form> (309)
free base

>  <CAS> (309)
848066-61-5

>  <URL> (309)
N/A

$$$$
WAY-651445
csChFnd80/09262109422D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (310)
310

>  <Formula> (310)
C18H13N3O2S

>  <MolWeight> (310)
335.37972

>  <Cat> (310)
P3513

>  <Name> (310)
WAY-651445

>  <Synonyms> (310)
N/A

>  <Target> (310)
LIMK1£¬IkB

>  <Form> (310)
free base

>  <CAS> (310)
848289-47-4

>  <URL> (310)
N/A

$$$$
GI-555736
csChFnd80/09262109422D

 16 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (311)
311

>  <Formula> (311)
C14H12N2

>  <MolWeight> (311)
208.25848

>  <Cat> (311)
P3257

>  <Name> (311)
GI-555736

>  <Synonyms> (311)
N/A

>  <Target> (311)
PDGFR

>  <Form> (311)
free base

>  <CAS> (311)
848342-16-5

>  <URL> (311)
N/A

$$$$
WAY-270318
csChFnd80/09262109422D

 20 22  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  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
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  6  3  1  0  0  0  0
 10  8  2  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (312)
312

>  <Formula> (312)
C14H14N4OS

>  <MolWeight> (312)
286.35216

>  <Cat> (312)
P3272

>  <Name> (312)
WAY-270318

>  <Synonyms> (312)
N/A

>  <Target> (312)
protein kinase

>  <Form> (312)
free base

>  <CAS> (312)
721964-48-3

>  <URL> (312)
N/A

$$$$
WAY-270329
csChFnd80/09262109422D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.0333    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4583    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11 17  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  2  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19 26  1  0  0  0  0
 20 22  2  0  0  0  0
 21 15  2  0  0  0  0
 22 16  1  0  0  0  0
 23 19  1  0  0  0  0
 24 18  2  0  0  0  0
 25 18  1  0  0  0  0
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 27 24  1  0  0  0  0
 28 20  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
  6  3  1  0  0  0  0
 10  8  2  0  0  0  0
 20 21  1  0  0  0  0
 19 27  2  0  0  0  0
M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C21H18FN5O2S

>  <MolWeight> (313)
423.4633232

>  <Cat> (313)
P3273

>  <Name> (313)
WAY-270329

>  <Synonyms> (313)
N/A

>  <Target> (313)
protein kinase

>  <Form> (313)
free base

>  <CAS> (313)
721964-51-8

>  <URL> (313)
N/A

$$$$
WAY-270382
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    0.6167    1.5000    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  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9 11  1  0  0  0  0
 10  3  2  0  0  0  0
 11 16  2  0  0  0  0
 12  9  2  0  0  0  0
 13 20  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16 15  1  0  0  0  0
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 18  6  1  0  0  0  0
 19  9  1  0  0  0  0
 20 18  1  0  0  0  0
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 11 17  1  0  0  0  0
 21 13  1  0  0  0  0
M  END
>  <Mol_ID> (314)
314

>  <Formula> (314)
C16H10N2O3S2

>  <MolWeight> (314)
342.3922

>  <Cat> (314)
P3274

>  <Name> (314)
WAY-270382

>  <Synonyms> (314)
N/A

>  <Target> (314)
Metallo-b-lactamase,ASK1

>  <Form> (314)
free base

>  <CAS> (314)
1427537-93-6

>  <URL> (314)
N/A

$$$$
WAY-270444
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.2276   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 11 15  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 22  1  0  0  0  0
  6  9  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (315)
315

>  <Formula> (315)
C17H16N2O3

>  <MolWeight> (315)
296.32054

>  <Cat> (315)
P3275

>  <Name> (315)
WAY-270444

>  <Synonyms> (315)
N/A

>  <Target> (315)
Hsp90,PDK4,PPAR

>  <Form> (315)
free base

>  <CAS> (315)
394237-61-7

>  <URL> (315)
N/A

$$$$
WAY-270599
csChFnd80/09262109422D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (316)
316

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>  <MolWeight> (316)
374.79824

>  <Cat> (316)
P3276

>  <Name> (316)
WAY-270599

>  <Synonyms> (316)
N/A

>  <Target> (316)
FGFR1,TNFa

>  <Form> (316)
free base

>  <CAS> (316)
397281-20-8

>  <URL> (316)
N/A

$$$$
WAY-270947
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (317)
317

>  <Formula> (317)
C17H14BrN7O

>  <MolWeight> (317)
412.24336

>  <Cat> (317)
P3277

>  <Name> (317)
WAY-270947

>  <Synonyms> (317)
N/A

>  <Target> (317)
ALK5

>  <Form> (317)
free base

>  <CAS> (317)
1198579-20-2

>  <URL> (317)
N/A

$$$$
WAY-270966
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (318)
318

>  <Formula> (318)
C16H14BrN3OS2

>  <MolWeight> (318)
408.33586

>  <Cat> (318)
P3278

>  <Name> (318)
WAY-270966

>  <Synonyms> (318)
N/A

>  <Target> (318)
p38

>  <Form> (318)
free base

>  <CAS> (318)
421578-44-1

>  <URL> (318)
N/A

$$$$
WAY-270968
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (319)
319

>  <Formula> (319)
C16H13FN2OS2

>  <MolWeight> (319)
332.4156232

>  <Cat> (319)
P3279

>  <Name> (319)
WAY-270968

>  <Synonyms> (319)
N/A

>  <Target> (319)
p38

>  <Form> (319)
free base

>  <CAS> (319)
421578-46-3

>  <URL> (319)
N/A

$$$$
WAY-320509
csChFnd80/09262109422D

 24 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (320)
320

>  <Formula> (320)
C18H17N3O2S

>  <MolWeight> (320)
339.41148

>  <Cat> (320)
P3327

>  <Name> (320)
WAY-320509

>  <Synonyms> (320)
N/A

>  <Target> (320)
Anti-infection,CDK8

>  <Form> (320)
free base

>  <CAS> (320)
314035-54-6

>  <URL> (320)
N/A

$$$$
WAY-320049
csChFnd80/09262109422D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (321)
321

>  <Formula> (321)
C13H17NO3S

>  <MolWeight> (321)
267.34398

>  <Cat> (321)
P3323

>  <Name> (321)
WAY-320049

>  <Synonyms> (321)
N/A

>  <Target> (321)
others

>  <Form> (321)
free base

>  <CAS> (321)
298193-11-0

>  <URL> (321)
N/A

$$$$
WAY-320080
csChFnd80/09262109422D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.5138   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1518   -2.0074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5172   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1311   -2.6971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5656    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414    1.2236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5518    1.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276    1.2236    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828    1.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5689    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6241   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5862    1.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6758   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6  9  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (322)
322

>  <Formula> (322)
C14H13N3O2S

>  <MolWeight> (322)
287.33692

>  <Cat> (322)
P3324

>  <Name> (322)
WAY-320080

>  <Synonyms> (322)
N/A

>  <Target> (322)
glucokinase,heat shock protein 90

>  <Form> (322)
free base

>  <CAS> (322)
349549-38-8

>  <URL> (322)
N/A

$$$$
WAY-320081
csChFnd80/09262109422D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.8747   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9437   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5563    0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5505   -2.2962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5471   -0.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2781   -2.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6253    1.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4701   -0.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092   -2.9272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8023    0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5023    0.0659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5943    1.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7426    1.6934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4115   -0.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3505    1.3279    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333    1.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4805    1.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3529   -0.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0919    1.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4495    1.5555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (323)
323

>  <Formula> (323)
C14H13N3O2S

>  <MolWeight> (323)
287.33692

>  <Cat> (323)
P3325

>  <Name> (323)
WAY-320081

>  <Synonyms> (323)
N/A

>  <Target> (323)
glucokinase,heat shock protein 90

>  <Form> (323)
free base

>  <CAS> (323)
66780-67-4

>  <URL> (323)
N/A

$$$$
WAY-602219
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9125    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8958   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8958    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14 12  2  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
  6  8  2  0  0  0  0
 11  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (324)
324

>  <Formula> (324)
C14H12N2O3S2

>  <MolWeight> (324)
320.38668

>  <Cat> (324)
P3430

>  <Name> (324)
WAY-602219

>  <Synonyms> (324)
N/A

>  <Target> (324)
Trypanosoma brucei hexokinase 

>  <Form> (324)
free base

>  <CAS> (324)
378197-09-2

>  <URL> (324)
N/A

$$$$
WAY-602746
csChFnd80/09262109422D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0292   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -1.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1583    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  2  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8 11  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 19  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  2  0  0  0  0
  2  4  1  0  0  0  0
 10  8  1  0  0  0  0
 24 23  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (325)
325

>  <Formula> (325)
C20H16N4O

>  <MolWeight> (325)
328.36724

>  <Cat> (325)
P3431

>  <Name> (325)
WAY-602746

>  <Synonyms> (325)
N/A

>  <Target> (325)
ROS 

>  <Form> (325)
free base

>  <CAS> (325)
370096-57-4

>  <URL> (325)
N/A

$$$$
WAY-603264
csChFnd80/09262109422D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.3743    0.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6576    0.8174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326   -0.4576    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4132   -0.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4701    0.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7076    0.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9882   -0.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6007   -1.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0174    0.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9701    1.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3882   -1.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8049    0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 12  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
  5  6  2  0  0  0  0
 11  7  1  0  0  0  0
M  END
>  <Mol_ID> (326)
326

>  <Formula> (326)
C8H12N2OS

>  <MolWeight> (326)
184.25868

>  <Cat> (326)
P3432

>  <Name> (326)
WAY-603264

>  <Synonyms> (326)
N/A

>  <Target> (326)
adenosine kinase

>  <Form> (326)
free base

>  <CAS> (326)
58350-40-6

>  <URL> (326)
N/A

$$$$
WAY-603359
csChFnd80/09262109422D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1417    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
  7  8  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (327)
327

>  <Formula> (327)
C10H12ClN3O2

>  <MolWeight> (327)
241.67418

>  <Cat> (327)
P3433

>  <Name> (327)
WAY-603359

>  <Synonyms> (327)
N/A

>  <Target> (327)
p38

>  <Form> (327)
free base

>  <CAS> (327)
329268-90-8

>  <URL> (327)
N/A

$$$$
WAY-634931
csChFnd80/09262109422D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (328)
328

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C10H14O2

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166.21696

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P3482

>  <Name> (328)
WAY-634931

>  <Synonyms> (328)
N/A

>  <Target> (328)
GSK3,ROR gamma,CETP,metabotropic glutamate r

>  <Form> (328)
free base

>  <CAS> (328)
82683-51-0

>  <URL> (328)
N/A

$$$$
WAY-634964
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (329)
329

>  <Formula> (329)
C9H7N3O2

>  <MolWeight> (329)
189.17078

>  <Cat> (329)
P3483

>  <Name> (329)
WAY-634964

>  <Synonyms> (329)
N/A

>  <Target> (329)
tyrosine kinase

>  <Form> (329)
free base

>  <CAS> (329)
157842-34-7

>  <URL> (329)
N/A

$$$$
WAY-634704
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (330)
330

>  <Formula> (330)
C13H13ClN2O5S

>  <MolWeight> (330)
344.77072

>  <Cat> (330)
P3481

>  <Name> (330)
WAY-634704

>  <Synonyms> (330)
N/A

>  <Target> (330)
Aurora kinase A

>  <Form> (330)
free base

>  <CAS> (330)
781619-26-9

>  <URL> (330)
N/A

$$$$
WAY-635109
csChFnd80/09262109422D

 19 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (331)
331

>  <Formula> (331)
C13H9N3O2S

>  <MolWeight> (331)
271.29446

>  <Cat> (331)
P3484

>  <Name> (331)
WAY-635109

>  <Synonyms> (331)
N/A

>  <Target> (331)
B-Raf

>  <Form> (331)
free base

>  <CAS> (331)
781622-25-1

>  <URL> (331)
N/A

$$$$
WAY-635114
csChFnd80/09262109422D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (332)
332

>  <Formula> (332)
C13H11N3OS

>  <MolWeight> (332)
257.31094

>  <Cat> (332)
P3485

>  <Name> (332)
WAY-635114

>  <Synonyms> (332)
N/A

>  <Target> (332)
B-Raf

>  <Form> (332)
free base

>  <CAS> (332)
781622-52-4

>  <URL> (332)
N/A

$$$$
WAY-635319
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (333)
333

>  <Formula> (333)
C16H14N2O3

>  <MolWeight> (333)
282.29396

>  <Cat> (333)
P3486

>  <Name> (333)
WAY-635319

>  <Synonyms> (333)
N/A

>  <Target> (333)
CDK

>  <Form> (333)
free base

>  <CAS> (333)
763098-07-3

>  <URL> (333)
N/A

$$$$
WAY-311677
csChFnd80/09262109422D

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334

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N/A

>  <Target> (334)
FAK

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free base

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19948-85-7

>  <URL> (334)
N/A

$$$$
CL-243214
csChFnd80/09262109422D

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>  <Mol_ID> (335)
335

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C13H10N2O2S

>  <MolWeight> (335)
258.2957

>  <Cat> (335)
P3702

>  <Name> (335)
CL-243214

>  <Synonyms> (335)
N/A

>  <Target> (335)
others

>  <Form> (335)
free base

>  <CAS> (335)
333785-55-0

>  <URL> (335)
N/A

$$$$
WAY-312187
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (336)
336

>  <Formula> (336)
C16H13NO4

>  <MolWeight> (336)
283.27872

>  <Cat> (336)
P3733

>  <Name> (336)
WAY-312187

>  <Synonyms> (336)
N/A

>  <Target> (336)
Pim-1

>  <Form> (336)
free base

>  <CAS> (336)
1609385-99-0

>  <URL> (336)
N/A

$$$$
WAY-230563
csChFnd80/09262109422D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (337)
337

>  <Formula> (337)
C17H12N2O2S

>  <MolWeight> (337)
308.35438

>  <Cat> (337)
P3758

>  <Name> (337)
WAY-230563

>  <Synonyms> (337)
N/A

>  <Target> (337)
serine/threonine kinase

>  <Form> (337)
free base

>  <CAS> (337)
93326-70-6

>  <URL> (337)
N/A

$$$$
WAY-235142
csChFnd80/09262109422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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 12  5  2  0  0  0  0
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M  END
>  <Mol_ID> (338)
338

>  <Formula> (338)
C17H18N2O

>  <MolWeight> (338)
266.33762

>  <Cat> (338)
P3701

>  <Name> (338)
WAY-235142

>  <Synonyms> (338)
N/A

>  <Target> (338)
MtSk

>  <Form> (338)
free base

>  <CAS> (338)
380550-28-7

>  <URL> (338)
N/A

$$$$
WAY-311747
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (339)
339

>  <Formula> (339)
C16H21N3O2

>  <MolWeight> (339)
287.35684

>  <Cat> (339)
P3732

>  <Name> (339)
WAY-311747

>  <Synonyms> (339)
N/A

>  <Target> (339)
MtSk

>  <Form> (339)
free base

>  <CAS> (339)
381671-40-5

>  <URL> (339)
N/A

$$$$
WAY-312484
csChFnd80/09262109422D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (340)
340

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C13H13N5O

>  <MolWeight> (340)
255.27522

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WAY-312484

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N/A

>  <Target> (340)
EGFR

>  <Form> (340)
free base

>  <CAS> (340)
91769-08-3

>  <URL> (340)
N/A

$$$$
WAY-311753-A
csChFnd80/09262109422D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (341)
341

>  <Formula> (341)
C16H15N3OS

>  <MolWeight> (341)
297.3748

>  <Cat> (341)
P3757

>  <Name> (341)
WAY-311753-A

>  <Synonyms> (341)
N/A

>  <Target> (341)
tyrosine kinase

>  <Form> (341)
free base

>  <CAS> (341)
345615-74-9

>  <URL> (341)
N/A

$$$$
WAY-310586-A
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (342)
342

>  <Formula> (342)
C16H16N4OS2

>  <MolWeight> (342)
344.45444

>  <Cat> (342)
P3777

>  <Name> (342)
WAY-310586-A

>  <Synonyms> (342)
N/A

>  <Target> (342)
TAOK2

>  <Form> (342)
free base

>  <CAS> (342)
315705-95-4

>  <URL> (342)
N/A

$$$$
WAY-115880
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (343)
343

>  <Formula> (343)
C16H22N2O2S

>  <MolWeight> (343)
306.42308

>  <Cat> (343)
P3756

>  <Name> (343)
WAY-115880

>  <Synonyms> (343)
N/A

>  <Target> (343)
FLT3

>  <Form> (343)
free base

>  <CAS> (343)
142995-02-6

>  <URL> (343)
N/A

$$$$
WAY-297848
csChFnd80/09262109422D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (344)
344

>  <Formula> (344)
C13H13ClN2O2S

>  <MolWeight> (344)
296.77252

>  <Cat> (344)
P3755

>  <Name> (344)
WAY-297848

>  <Synonyms> (344)
N/A

>  <Target> (344)
glucokinase

>  <Form> (344)
free base

>  <CAS> (344)
404360-27-6

>  <URL> (344)
N/A

$$$$
GI-568769
csChFnd80/09262109422D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (345)
345

>  <Formula> (345)
C13H11ClN4

>  <MolWeight> (345)
258.70624

>  <Cat> (345)
P3689

>  <Name> (345)
GI-568769

>  <Synonyms> (345)
N/A

>  <Target> (345)
p90 Ribosomal S6 Protein Kinase 2

>  <Form> (345)
free base

>  <CAS> (345)
62001-32-5

>  <URL> (345)
N/A

$$$$
WAY-298129
csChFnd80/09262109422D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.9125   -3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2208   -3.6083    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
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  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  2  1  0  0  0  0
 13  9  1  0  0  0  0
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 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
  5  6  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (346)
346

>  <Formula> (346)
C13H15NO2S

>  <MolWeight> (346)
249.3287

>  <Cat> (346)
P3688

>  <Name> (346)
WAY-298129

>  <Synonyms> (346)
N/A

>  <Target> (346)
CLK1,DYRK,CLK,CK1,RB,kinase,ENT1,CK1,DYRK1A,

>  <Form> (346)
free base

>  <CAS> (346)
719277-26-6

>  <URL> (346)
N/A

$$$$
WAY-299338
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 10  7  1  0  0  0  0
 11 14  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14 16  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 12  2  0  0  0  0
 20 13  2  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
  5  4  2  0  0  0  0
 20 19  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (347)
347

>  <Formula> (347)
C17H16N2O3S

>  <MolWeight> (347)
328.38554

>  <Cat> (347)
P3775

>  <Name> (347)
WAY-299338

>  <Synonyms> (347)
N/A

>  <Target> (347)
PDK1

>  <Form> (347)
free base

>  <CAS> (347)
1005044-23-4

>  <URL> (347)
N/A

$$$$
WAY-322454
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.5167   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -3.2292    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  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  5  2  0  0  0  0
  8  2  1  0  0  0  0
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 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  2  0  0  0  0
 16  9  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  0  0  0  0
 23 15  1  0  0  0  0
  3  5  1  0  0  0  0
  9 10  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C17H20N4O2

>  <MolWeight> (348)
312.3663

>  <Cat> (348)
P3753

>  <Name> (348)
WAY-322454

>  <Synonyms> (348)
N/A

>  <Target> (348)
GRK6

>  <Form> (348)
free base

>  <CAS> (348)
1008244-02-7

>  <URL> (348)
N/A

$$$$
WAY-119064
csChFnd80/09262109422D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    0.6649    1.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7213   -1.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8684    2.6583    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
  2  7  2  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
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  9 11  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (349)
349

>  <Formula> (349)
C13H18N2O3S

>  <MolWeight> (349)
282.35862

>  <Cat> (349)
P3728

>  <Name> (349)
WAY-119064

>  <Synonyms> (349)
N/A

>  <Target> (349)
INK4C

>  <Form> (349)
free base

>  <CAS> (349)
1198098-03-1

>  <URL> (349)
N/A

$$$$
WAY-215718
csChFnd80/09262109422D

 17 19  0  0  0  0  0  0  0  0999 V2000
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   -1.7757   -1.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8653   -0.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1826    0.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1657   -1.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5757   -2.3032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8653   -2.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9550   -0.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416    1.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9550   -1.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4278    2.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8830    0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6588    2.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  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
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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  6  7  1  0  0  0  0
  9 11  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (350)
350

>  <Formula> (350)
C14H19N3

>  <MolWeight> (350)
229.32076

>  <Cat> (350)
P3684

>  <Name> (350)
WAY-215718

>  <Synonyms> (350)
N/A

>  <Target> (350)
5-HT Receptor,pp6othersc-Src tyrosine kinase

>  <Form> (350)
free base

>  <CAS> (350)
128175-06-4

>  <URL> (350)
N/A

$$$$
WAY-300046
csChFnd80/09262109422D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    2.3552    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0966   -0.9310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  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
  9 10  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  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
  7  8  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (351)
351

>  <Formula> (351)
C12H13N3O2

>  <MolWeight> (351)
231.25052

>  <Cat> (351)
P3682

>  <Name> (351)
WAY-300046

>  <Synonyms> (351)
N/A

>  <Target> (351)
LtaS,herpes simplex viruses thymidine kinase

>  <Form> (351)
free base

>  <CAS> (351)
41648-10-6

>  <URL> (351)
N/A

$$$$
WAY-300063
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (352)
352

>  <Formula> (352)
C16H13N3O3

>  <MolWeight> (352)
295.29272

>  <Cat> (352)
P3727

>  <Name> (352)
WAY-300063

>  <Synonyms> (352)
N/A

>  <Target> (352)
Tropomyosin-Related Kinase A,ATP-binding cas

>  <Form> (352)
free base

>  <CAS> (352)
296888-45-4

>  <URL> (352)
N/A

$$$$
WAY-299819
csChFnd80/09262109422D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (353)
353

>  <Formula> (353)
C12H10ClNOS

>  <MolWeight> (353)
251.7319

>  <Cat> (353)
P3687

>  <Name> (353)
WAY-299819

>  <Synonyms> (353)
N/A

>  <Target> (353)
p38 MAPK,c-Jun-N-Terminal Kinase

>  <Form> (353)
free base

>  <CAS> (353)
346663-56-7

>  <URL> (353)
N/A

$$$$
WAY-300700
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  7  9  1  0  0  0  0
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (354)
354

>  <Formula> (354)
C19H22N2O2

>  <MolWeight> (354)
310.39018

>  <Cat> (354)
P3751

>  <Name> (354)
WAY-300700

>  <Synonyms> (354)
N/A

>  <Target> (354)
HIV-1

>  <Form> (354)
free base

>  <CAS> (354)
428853-17-2

>  <URL> (354)
N/A

$$$$
WAY-300744
csChFnd80/09262109422D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C14H12Cl2N2O2S

>  <MolWeight> (355)
343.22828

>  <Cat> (355)
P3773

>  <Name> (355)
WAY-300744

>  <Synonyms> (355)
N/A

>  <Target> (355)
kinase

>  <Form> (355)
free base

>  <CAS> (355)
314284-06-5

>  <URL> (355)
N/A

$$$$
WAY-301205
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (356)
356

>  <Formula> (356)
C16H20N2O2S2

>  <MolWeight> (356)
336.4722

>  <Cat> (356)
P3772

>  <Name> (356)
WAY-301205

>  <Synonyms> (356)
N/A

>  <Target> (356)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (356)
free base

>  <CAS> (356)
330181-93-6

>  <URL> (356)
N/A

$$$$
WAY-301300
csChFnd80/09262109422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  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 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
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 14 17  2  0  0  0  0
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  7 10  1  0  0  0  0
  9 13  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (357)
357

>  <Formula> (357)
C16H17NO4

>  <MolWeight> (357)
287.31048

>  <Cat> (357)
P3726

>  <Name> (357)
WAY-301300

>  <Synonyms> (357)
N/A

>  <Target> (357)
Rho kinase,bacterial DNA adenine methyltrans

>  <Form> (357)
free base

>  <CAS> (357)
935279-95-1

>  <URL> (357)
N/A

$$$$
WAY-301398
csChFnd80/09262109422D

 21 22  0  0  0  0  0  0  0  0999 V2000
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   -0.9207    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
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 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 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
 20 21  1  0  0  0  0
  8 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (358)
358

>  <Formula> (358)
C16H13FO4

>  <MolWeight> (358)
288.2704232

>  <Cat> (358)
P3750

>  <Name> (358)
WAY-301398

>  <Synonyms> (358)
N/A

>  <Target> (358)
arylamine Nacetyltransferase,Protein Kinase 

>  <Form> (358)
free base

>  <CAS> (358)
312607-68-4

>  <URL> (358)
N/A

$$$$
WAY-301503
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.1138    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2379   -1.3034    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8379   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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  5  9  1  0  0  0  0
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  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
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 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  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
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
  7  8  2  0  0  0  0
 11 13  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (359)
359

>  <Formula> (359)
C14H9N3O4S

>  <MolWeight> (359)
315.30396

>  <Cat> (359)
P3748

>  <Name> (359)
WAY-301503

>  <Synonyms> (359)
N/A

>  <Target> (359)
CDK2

>  <Form> (359)
free base

>  <CAS> (359)
313530-30-2

>  <URL> (359)
N/A

$$$$
WAY-118985
csChFnd80/09262109422D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.1683   -0.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  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
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 11 13  1  0  0  0  0
 12 14  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
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (360)
360

>  <Formula> (360)
C13H12N4S2

>  <MolWeight> (360)
288.39118

>  <Cat> (360)
P3723

>  <Name> (360)
WAY-118985

>  <Synonyms> (360)
N/A

>  <Target> (360)
TAOK2

>  <Form> (360)
free base

>  <CAS> (360)
315704-83-7

>  <URL> (360)
N/A

$$$$
WAY-302159
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3897    1.8679    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  2  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  2  0  0  0  0
 11  7  2  0  0  0  0
 12  2  2  0  0  0  0
 13  7  1  0  0  0  0
  4 14  2  0  0  0  0
  5 15  2  0  0  0  0
 17 16  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 11  1  0  0  0  0
 18 20  2  0  0  0  0
 13 21  2  0  0  0  0
 22 21  1  0  0  0  0
  6 16  1  0  0  0  0
 13 20  1  0  0  0  0
 22 19  2  0  0  0  0
M  END
>  <Mol_ID> (361)
361

>  <Formula> (361)
C16H11N3O3

>  <MolWeight> (361)
293.27684

>  <Cat> (361)
P3746

>  <Name> (361)
WAY-302159

>  <Synonyms> (361)
N/A

>  <Target> (361)
VEGFR-2

>  <Form> (361)
free base

>  <CAS> (361)
62802-77-1

>  <URL> (361)
N/A

$$$$
WAY-302713-A
csChFnd80/09262109422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
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 22 24  2  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (362)
362

>  <Formula> (362)
C16H11N3O4S

>  <MolWeight> (362)
341.34124

>  <Cat> (362)
P3771

>  <Name> (362)
WAY-302713-A

>  <Synonyms> (362)
N/A

>  <Target> (362)
Pim-1 

>  <Form> (362)
free base

>  <CAS> (362)
443747-52-2

>  <URL> (362)
N/A

$$$$
WAY-302888
csChFnd80/09262109422D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    0.1379   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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N/A

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WAY-303290
csChFnd80/09262109422D

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free base

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323176-64-3

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N/A

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WAY-303292
csChFnd80/09262109422D

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N/A

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WAY-304800-A
csChFnd80/09262109422D

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free base

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345616-08-2

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N/A

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WAY-305025
csChFnd80/09262109422D

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Mnk

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457911-10-3

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N/A

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WAY-383487
csChFnd80/09262109422D

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CDK

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N/A

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WAY-232261
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 PI3K

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free base

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332023-13-9

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N/A

$$$$
WAY-340245
csChFnd80/09262109422D

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WAY-340245

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N/A

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ERK

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free base

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350509-85-2

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N/A

$$$$
WAY-340935
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VEGFR2 kinase

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free base

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737818-56-3

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N/A

$$$$
WAY-341085
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WAY-341085

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N/A

>  <Target> (372)
Kinase

>  <Form> (372)
free base

>  <CAS> (372)
383380-01-6

>  <URL> (372)
N/A

$$$$
untitled.cdx
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>  <Mol_ID> (373)
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>  <Name> (373)
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>  <Synonyms> (373)
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>  <Form> (373)
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>  <CAS> (373)
796967-16-3

>  <URL> (373)
htt

$$$$
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374

>  <Formula> (374)
C22H18N4OS

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>  <Name> (374)
Axitinib

>  <Synonyms> (374)
AG 

>  <Target> (374)
VEGFR, PDGFR, c-Kit

>  <Form> (374)
Free Base

>  <CAS> (374)
319460-85-0

>  <URL> (374)
htt

$$$$
untitled.cdx
csChFnd80/09262109422D

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375

>  <Formula> (375)
C27H32ClN5O5

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S1006

>  <Name> (375)
Saracatinib 

>  <Synonyms> (375)
N/A

>  <Target> (375)
Src, Bcr-Abl

>  <Form> (375)
Free Base

>  <CAS> (375)
379231-04-6

>  <URL> (375)
htt

$$$$
azd6244.cdx
csChFnd80/09262109422D

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376

>  <Formula> (376)
C17H15BrClFN4O3

>  <MolWeight> (376)
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>  <Cat> (376)
S1008

>  <Name> (376)
AZD6244 (Sel

>  <Synonyms> (376)
ARR

>  <Target> (376)
MEK

>  <Form> (376)
Free Base

>  <CAS> (376)
606143-52-6

>  <URL> (376)
htt

$$$$
untitled.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (377)
377

>  <Formula> (377)
C31H33N5O4

>  <MolWeight> (377)
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>  <Cat> (377)
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>  <Name> (377)
Nintedanib (

>  <Synonyms> (377)
N/A

>  <Target> (377)
VEGFR, PDGFR, FGFR

>  <Form> (377)
Free Base

>  <CAS> (377)
656247-17-5

>  <URL> (377)
htt

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (378)
378

>  <Formula> (378)
C19H25BN4O4

>  <MolWeight> (378)
384.2372

>  <Cat> (378)
S1013

>  <Name> (378)
Bortezomib (

>  <Synonyms> (378)
MG-

>  <Target> (378)
Proteasome

>  <Form> (378)
Free Base

>  <CAS> (378)
179324-69-7

>  <URL> (378)
htt

$$$$
untitled.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (379)
379

>  <Formula> (379)
C25H27FN4O3

>  <MolWeight> (379)
450.5052832

>  <Cat> (379)
S1017

>  <Name> (379)
Cediranib (A

>  <Synonyms> (379)
Rec

>  <Target> (379)
VEGFR, Flt

>  <Form> (379)
Free Base

>  <CAS> (379)
288383-20-0

>  <URL> (379)
htt

$$$$
CI1040.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (380)
380

>  <Formula> (380)
C17H14ClF2IN2O2

>  <MolWeight> (380)
478.6595364

>  <Cat> (380)
S1020

>  <Name> (380)
CI-1040 (PD1

>  <Synonyms> (380)
N/A

>  <Target> (380)
MEK 

>  <Form> (380)
Free Base

>  <CAS> (380)
212631-79-3

>  <URL> (380)
htt

$$$$
Dasatinib.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (381)
381

>  <Formula> (381)
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>  <Name> (381)
Dasatinib

>  <Synonyms> (381)
BMS

>  <Target> (381)
Src, Bcr-Abl, c-Kit

>  <Form> (381)
Free Base

>  <CAS> (381)
302962-49-8

>  <URL> (381)
htt

$$$$
untitled.cdx
csChFnd80/09262109422D

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Deforolimus 

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AP2

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mTOR

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Free Base

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572924-54-0

>  <URL> (382)
htt

$$$$

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c-Kit, FGFR, Flt, VEGFR, PDGFR 

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405169-16-6

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htt

$$$$
untitled.cdx
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EGFR

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184475-35-2

>  <URL> (384)
htt

$$$$
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>  <Mol_ID> (385)
385

>  <Formula> (385)
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>  <Cat> (385)
S1026

>  <Name> (385)
Imatinib Mes

>  <Synonyms> (385)
CGP

>  <Target> (385)
PDGFR, c-Kit, Bcr-Abl

>  <Form> (385)
Mesylate

>  <CAS> (385)
220127-57-1

>  <URL> (385)
htt

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (386)
386

>  <Formula> (386)
C43H42ClFN4O10S3

>  <MolWeight> (386)
925.4607832

>  <Cat> (386)
S1028

>  <Name> (386)
Lapatinib (G

>  <Synonyms> (386)
GW-

>  <Target> (386)
EGFR, HER2

>  <Form> (386)
Ditosylat

>  <CAS> (386)
388082-77-7

>  <URL> (386)
htt

$$$$
untitled.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (387)
387

>  <Formula> (387)
C13H13N3O3

>  <MolWeight> (387)
259.26062

>  <Cat> (387)
S1029

>  <Name> (387)
Lenalidomide

>  <Synonyms> (387)
CC-

>  <Target> (387)
TNF-alpha

>  <Form> (387)
Free Base

>  <CAS> (387)
191732-72-6

>  <URL> (387)
htt

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/09262109422D

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857876-30-3

>  <URL> (388)
htt

$$$$
untitled.cdx
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Tas

>  <Target> (389)
Bcr-Abl

>  <Form> (389)
Free Base

>  <CAS> (389)
641571-10-0

>  <URL> (389)
htt

$$$$
untitled.cdx
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390

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635702-64-6

>  <URL> (390)
htt

$$$$
untitled.cdx
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>  <CAS> (391)
391210-10-9

>  <URL> (391)
htt

$$$$
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Free Base

>  <CAS> (392)
371935-74-9

>  <URL> (392)
htt

$$$$
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Rapamycin (S

>  <Synonyms> (393)
N/A

>  <Target> (393)
mTOR 

>  <Form> (393)
Free Base

>  <CAS> (393)
53123-88-9

>  <URL> (393)
htt

$$$$

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>  <Mol_ID> (394)
394

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>  <Synonyms> (394)
Bay

>  <Target> (394)
VEGFR, PDGFR, Raf

>  <Form> (394)
Tosylate

>  <CAS> (394)
475207-59-1

>  <URL> (394)
htt

$$$$

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341031-54-7

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htt

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Aurora Kinase

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639089-54-6

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htt

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htt

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htt

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htt

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htt

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htt

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152121-47-6

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htt

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>  <URL> (406)
htt

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1032350-13-2

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htt

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untitled.cdx
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408

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PKI

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c-Met 

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658084-23-2

>  <URL> (408)
htt

$$$$
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csChFnd80/09262109422D

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649735-46-6

>  <URL> (409)
htt

$$$$
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csChFnd80/09262109422D

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410

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>  <Synonyms> (410)
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>  <Target> (410)
IGF-1R

>  <Form> (410)
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>  <CAS> (410)
475488-23-4

>  <URL> (410)
htt

$$$$
untitled.cdx
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htt

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htt

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PDK-1

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Free Base

>  <CAS> (419)
742112-33-0

>  <URL> (419)
htt

$$$$
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>  <Mol_ID> (420)
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>  <Synonyms> (420)
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>  <Target> (420)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (420)
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>  <CAS> (420)
827318-97-8

>  <URL> (420)
htt

$$$$
untitled.cdx
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>  <Mol_ID> (421)
421

>  <Formula> (421)
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>  <MolWeight> (421)
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>  <Cat> (421)
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>  <Name> (421)
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>  <Synonyms> (421)
N/A

>  <Target> (421)
PLK

>  <Form> (421)
Free Base

>  <CAS> (421)
755038-02-9

>  <URL> (421)
htt

$$$$
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>  <URL> (422)
htt

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>  <URL> (423)
htt

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>  <Synonyms> (424)
Cer

>  <Target> (424)
mTOR

>  <Form> (424)
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>  <CAS> (424)
159351-69-6

>  <URL> (424)
htt

$$$$
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Ali

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Aurora Kinase

>  <Form> (425)
Free Base

>  <CAS> (425)
1028486-01-2

>  <URL> (425)
htt

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426

>  <Formula> (426)
C28H24FN3O5

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501.5056632

>  <Cat> (426)
S1119

>  <Name> (426)
Cabozantinib

>  <Synonyms> (426)
N/A

>  <Target> (426)
VEGFR, c-Met, Flt, Tie-2, c-Kit

>  <Form> (426)
Free Base

>  <CAS> (426)
849217-68-1

>  <URL> (426)
htt

$$$$
AT9283.cdx
csChFnd80/09262109422D

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427

>  <Formula> (427)
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AT9283

>  <Synonyms> (427)
N/A

>  <Target> (427)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (427)
Free Base

>  <CAS> (427)
896466-04-9

>  <URL> (427)
htt

$$$$
untitled.cdx
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>  <Mol_ID> (428)
428

>  <Formula> (428)
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>  <Cat> (428)
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>  <Synonyms> (428)
N/A

>  <Target> (428)
HSP

>  <Form> (428)
Free Base

>  <CAS> (428)
75747-14-7

>  <URL> (428)
htt

$$$$

csChFnd80/09262109422D

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>  <Mol_ID> (429)
429

>  <Formula> (429)
C22H24FN5O4

>  <MolWeight> (429)
441.4554632

>  <Cat> (429)
S1138

>  <Name> (429)
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>  <Synonyms> (429)
N/A

>  <Target> (429)
VEGFR, FGFR

>  <Form> (429)
Alaninate

>  <CAS> (429)
649735-63-7

>  <URL> (429)
htt

$$$$
untitled.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (430)
430

>  <Formula> (430)
C17H24N4O2S2

>  <MolWeight> (430)
380.52806

>  <Cat> (430)
S1145

>  <Name> (430)
SNS-032 (BMS

>  <Synonyms> (430)
BMS

>  <Target> (430)
CDK 

>  <Form> (430)
Free Base

>  <CAS> (430)
345627-80-7

>  <URL> (430)
htt

$$$$
untitled.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (431)
431

>  <Formula> (431)
C26H30FN7O3

>  <MolWeight> (431)
507.5599032

>  <Cat> (431)
S1147

>  <Name> (431)
Barasertib (

>  <Synonyms> (431)
AZD

>  <Target> (431)
Aurora Kinase

>  <Form> (431)
Free Base

>  <CAS> (431)
722544-51-6

>  <URL> (431)
htt

$$$$
untitled.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (432)
432

>  <Formula> (432)
C17H14ClF2N3O3S

>  <MolWeight> (432)
413.8261664

>  <Cat> (432)
S1152

>  <Name> (432)
PLX-4720

>  <Synonyms> (432)
N/A

>  <Target> (432)
Raf 

>  <Form> (432)
Free Base

>  <CAS> (432)
918505-84-7

>  <URL> (432)
htt

$$$$
untitled.cdx
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CDK 

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Free Base

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186692-46-6 

>  <URL> (433)
htt

$$$$
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>  <Mol_ID> (434)
434

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>  <Synonyms> (434)
N/A

>  <Target> (434)
EGFR, HER2

>  <Form> (434)
Free Base

>  <CAS> (434)
537705-08-1

>  <URL> (434)
htt

$$$$
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435

>  <Formula> (435)
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>  <MolWeight> (435)
364.44086

>  <Cat> (435)
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>  <Name> (435)
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>  <Synonyms> (435)
N/A

>  <Target> (435)
PI3K

>  <Form> (435)
Free Base

>  <CAS> (435)
663619-89-4

>  <URL> (435)
htt

$$$$
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>  <Synonyms> (436)
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>  <Target> (436)
EGFR

>  <Form> (436)
Free Base

>  <CAS> (436)
1214265-56-1

>  <URL> (436)
htt

$$$$
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htt

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htt

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htt

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M  END
>  <Mol_ID> (441)
441

>  <Formula> (441)
C24H25ClN6OS

>  <MolWeight> (441)
481.0129

>  <Cat> (441)
S1179

>  <Name> (441)
WZ8040

>  <Synonyms> (441)
N/A

>  <Target> (441)
EGFR

>  <Form> (441)
Free Base

>  <CAS> (441)
1214265-57-2

>  <URL> (441)
htt

$$$$
ENMD-2076.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (442)
442

>  <Formula> (442)
C21H25N7

>  <MolWeight> (442)
375.4701

>  <Cat> (442)
S1181

>  <Name> (442)
ENMD-2076

>  <Synonyms> (442)
N/A

>  <Target> (442)
Flt, Aurora Kinase, VEGFR

>  <Form> (442)
Tartaric 

>  <CAS> (442)
934353-76-1

>  <URL> (442)
htt

$$$$
Aprepitant.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (443)
443

>  <Formula> (443)
C23H21F7N4O3

>  <MolWeight> (443)
534.4266624

>  <Cat> (443)
S1189

>  <Name> (443)
Aprepitant (

>  <Synonyms> (443)
MK-

>  <Target> (443)
Substance P

>  <Form> (443)
Free Base

>  <CAS> (443)
170729-80-3

>  <URL> (443)
htt

$$$$
S119401 CUDC-101.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (444)
444

>  <Formula> (444)
C24H26N4O4

>  <MolWeight> (444)
434.48764

>  <Cat> (444)
S1194

>  <Name> (444)
CUDC-101

>  <Synonyms> (444)
N/A

>  <Target> (444)
HDAC, EGFR, HER2

>  <Form> (444)
Free Base

>  <CAS> (444)
1012054-59-9

>  <URL> (444)
htt

$$$$
AV-951.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (445)
445

>  <Formula> (445)
C22H19ClN4O5

>  <MolWeight> (445)
454.86306

>  <Cat> (445)
S1207

>  <Name> (445)
Tivozanib (A

>  <Synonyms> (445)
N/A

>  <Target> (445)
VEGFR, c-Kit, PDGFR

>  <Form> (445)
Free Base

>  <CAS> (445)
475108-18-0

>  <URL> (445)
htt

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (446)
446

>  <Formula> (446)
C27H30ClNO11

>  <MolWeight> (446)
579.9802

>  <Cat> (446)
S1208

>  <Name> (446)
Doxorubicin 

>  <Synonyms> (446)
N/A

>  <Target> (446)
Topoisomerase

>  <Form> (446)
Hydrochlo

>  <CAS> (446)
25316-40-9

>  <URL> (446)
htt

$$$$
OSI-930.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (447)
447

>  <Formula> (447)
C22H16F3N3O2S

>  <MolWeight> (447)
443.4415496

>  <Cat> (447)
S1220

>  <Name> (447)
OSI-930

>  <Synonyms> (447)
N/A

>  <Target> (447)
c-Kit, VEGFR

>  <Form> (447)
Free Base

>  <CAS> (447)
728033-96-3

>  <URL> (447)
htt

$$$$
KU-0063794.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (448)
448

>  <Formula> (448)
C25H31N5O4

>  <MolWeight> (448)
465.54474

>  <Cat> (448)
S1226

>  <Name> (448)
Ku-0063794

>  <Synonyms> (448)
N/A

>  <Target> (448)
mTOR 

>  <Form> (448)
Free Base

>  <CAS> (448)
938440-64-3

>  <URL> (448)
htt

$$$$
MP-470.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (449)
449

>  <Formula> (449)
C23H21N5O3S

>  <MolWeight> (449)
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>  <Cat> (449)
S1244

>  <Name> (449)
Amuvatinib (

>  <Synonyms> (449)
N/A

>  <Target> (449)
c-Met, c-Kit, PDGFR, Flt, c-RET

>  <Form> (449)
Free Base

>  <CAS> (449)
850879-09-3

>  <URL> (449)
htt

$$$$
leflunomide.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (450)
450

>  <Formula> (450)
C12H9F3N2O2

>  <MolWeight> (450)
270.2072696

>  <Cat> (450)
S1247

>  <Name> (450)
Leflunomide

>  <Synonyms> (450)
Ara

>  <Target> (450)
Dehydrogenase

>  <Form> (450)
Free Base

>  <CAS> (450)
75706-12-6

>  <URL> (450)
htt

$$$$
JNJ-7706621.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (451)
451

>  <Formula> (451)
C15H12F2N6O3S

>  <MolWeight> (451)
394.3559864

>  <Cat> (451)
S1249

>  <Name> (451)
JNJ-7706621

>  <Synonyms> (451)
N/A

>  <Target> (451)
CDK, Aurora Kinase

>  <Form> (451)
Free Base

>  <CAS> (451)
443797-96-4

>  <URL> (451)
htt

$$$$
PD173074.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (452)
452

>  <Formula> (452)
C28H41N7O3

>  <MolWeight> (452)
523.67024

>  <Cat> (452)
S1264

>  <Name> (452)
PD173074

>  <Synonyms> (452)
N/A

>  <Target> (452)
FGFR, VEGFR

>  <Form> (452)
Free Base

>  <CAS> (452)
219580-11-7

>  <URL> (452)
htt

$$$$
WYE-354.cdx
csChFnd80/09262109422D

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htt

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htt

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875337-44-3

>  <URL> (457)
htt

$$$$
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ON-

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PLK

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1225497-78-8

>  <URL> (458)
htt

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228559-41-9

>  <URL> (459)
htt

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>  <CAS> (460)
501-36-0

>  <URL> (460)
htt

$$$$
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htt

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htt

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htt

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htt

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htt

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htt

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>  <URL> (472)
htt

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htt

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P52

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mTOR

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914913-88-5

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htt

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htt

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htt

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htt

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htt

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htt

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htt

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c-Met

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Free Base

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1025720-94-8

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htt

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391210-00-7 

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htt

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htt

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M  END
>  <Mol_ID> (491)
491

>  <Formula> (491)
C22H33ClN6

>  <MolWeight> (491)
416.99062

>  <Cat> (491)
S1572

>  <Name> (491)
BS-181 HCl

>  <Synonyms> (491)
N/A

>  <Target> (491)
CDK 

>  <Form> (491)
Hydrochlo

>  <CAS> (491)
1397219-81-6

>  <URL> (491)
htt

$$$$
Fasudil HCl.cdx
csChFnd80/09262109422D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (492)
492

>  <Formula> (492)
C14H18ClN3O2S

>  <MolWeight> (492)
327.82962

>  <Cat> (492)
S1573

>  <Name> (492)
Fasudil HCl 

>  <Synonyms> (492)
AT-

>  <Target> (492)
ROCK

>  <Form> (492)
Hydrochlo

>  <CAS> (492)
105628-07-7

>  <URL> (492)
htt

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/09262109422D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (493)
493

>  <Formula> (493)
C31H37N5O3

>  <MolWeight> (493)
527.65718

>  <Cat> (493)
S1574

>  <Name> (493)
BIRB 796 (Do

>  <Synonyms> (493)
N/A

>  <Target> (493)
p38 MAPK

>  <Form> (493)
Free Base

>  <CAS> (493)
285983-48-4

>  <URL> (493)
htt

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/09262109422D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (494)
494

>  <Formula> (494)
C26H21N3O2S

>  <MolWeight> (494)
439.52884

>  <Cat> (494)
S1577

>  <Name> (494)
Tie2 kinase 

>  <Synonyms> (494)
N/A

>  <Target> (494)
Tie-2

>  <Form> (494)
Free Base

>  <CAS> (494)
948557-43-5

>  <URL> (494)
htt

$$$$

csChFnd80/09262109422D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (500)
500

>  <Formula> (500)
C30H28FN7O3

>  <MolWeight> (500)
553.5868232

>  <Cat> (500)
S2634

>  <Name> (500)
DCC-2036 (Re

>  <Synonyms> (500)
N/A

>  <Target> (500)
Bcr-Abl

>  <Form> (500)
Free Base

>  <CAS> (500)
1020172-07-9

>  <URL> (500)
htt

$$$$
Pitavastatin calcium.cdx
csChFnd80/09262109422D

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M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (501)
501

>  <Formula> (501)
C50H46CaF2N2O8

>  <MolWeight> (501)
880.9836464

>  <Cat> (501)
S1759

>  <Name> (501)
Pitavastatin

>  <Synonyms> (501)
Liv

>  <Target> (501)
HMG-CoA Reductase

>  <Form> (501)
Calcium s

>  <CAS> (501)
147526-32-7

>  <URL> (501)
htt

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/09262109422D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (502)
502

>  <Formula> (502)
C10H13N5O4

>  <MolWeight> (502)
267.24132

>  <Cat> (502)
S1784

>  <Name> (502)
Vidarabine (

>  <Synonyms> (502)
Vir

>  <Target> (502)
5-alpha Reductase 

>  <Form> (502)
Free Base

>  <CAS> (502)
5536-17-4

>  <URL> (502)
htt

$$$$
Acyclovir.cdx
csChFnd80/09262109422D

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    0.0000    2.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (503)
503

>  <Formula> (503)
C8H11N5O3

>  <MolWeight> (503)
225.20464

>  <Cat> (503)
S1807

>  <Name> (503)
Acyclovir (A

>  <Synonyms> (503)
Aci

>  <Target> (503)
Antifection

>  <Form> (503)
Free Base

>  <CAS> (503)
59277-89-3 

>  <URL> (503)
htt

$$$$
ADALAT (nifedipine).cdx
csChFnd80/09262109422D

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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (504)
504

>  <Formula> (504)
C17H18N2O6

>  <MolWeight> (504)
346.33462

>  <Cat> (504)
S1808

>  <Name> (504)
Nifedipine (

>  <Synonyms> (504)
Ani

>  <Target> (504)
Calcium Channel

>  <Form> (504)
Free Base

>  <CAS> (504)
21829-25-4

>  <URL> (504)
htt

$$$$
Amiloride hydrochloride.cdx
csChFnd80/09262109422D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1376    5.3651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (505)
505

>  <Formula> (505)
C6H9Cl2N7O

>  <MolWeight> (505)
266.08796

>  <Cat> (505)
S1811

>  <Name> (505)
Amiloride HC

>  <Synonyms> (505)
N/A

>  <Target> (505)
Sodium Channel,Calcium Channel

>  <Form> (505)
Hydrochlo

>  <CAS> (505)
2016-88-8

>  <URL> (505)
htt

$$$$
clemastine fumarate.cdx
csChFnd80/09262109422D

 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
    7.0487    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6467    5.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3547    6.7849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672    7.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.1918    5.3922    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  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> (506)
506

>  <Formula> (506)
C25H30ClNO5

>  <MolWeight> (506)
459.9624

>  <Cat> (506)
S1847

>  <Name> (506)
Clemastine F

>  <Synonyms> (506)
Tav

>  <Target> (506)
Histamine Receptor

>  <Form> (506)
Fumarate

>  <CAS> (506)
14976-57-9

>  <URL> (506)
htt

$$$$
Methylthiouracil.cdx
csChFnd80/09262109422D

  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> (507)
507

>  <Formula> (507)
C5H6N2OS

>  <MolWeight> (507)
142.17894

>  <Cat> (507)
S3138

>  <Name> (507)
Methylthiour

>  <Synonyms> (507)
N/A

>  <Target> (507)
Others

>  <Form> (507)
Free Base

>  <CAS> (507)
20547

>  <URL> (507)
htt

$$$$
MENADIONE (menadione).cdx
csChFnd80/09262109422D

 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> (508)
508

>  <Formula> (508)
C11H8O2

>  <MolWeight> (508)
172.18002

>  <Cat> (508)
S1949

>  <Name> (508)
Menadione

>  <Synonyms> (508)
Vit

>  <Target> (508)
DNA/RNA Synthesis,phosphatase

>  <Form> (508)
Free Base

>  <CAS> (508)
58-27-5

>  <URL> (508)
htt

$$$$
Metformin hydrochloride.cdx
csChFnd80/09262109422D

 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> (509)
509

>  <Formula> (509)
C4H12ClN5

>  <MolWeight> (509)
165.62458

>  <Cat> (509)
S1950

>  <Name> (509)
Metformin hy

>  <Synonyms> (509)
Glu

>  <Target> (509)
Others

>  <Form> (509)
Hydrochlo

>  <CAS> (509)
1115-70-4

>  <URL> (509)
htt

$$$$
Tanshinone IIA.cdx
csChFnd80/09262109422D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    5.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    7.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (510)
510

>  <Formula> (510)
C19H18O3

>  <MolWeight> (510)
294.34442

>  <Cat> (510)
S2365

>  <Name> (510)
Tanshinone I

>  <Synonyms> (510)
Tan

>  <Target> (510)
Lipase

>  <Form> (510)
Free Base

>  <CAS> (510)
568-72-9

>  <URL> (510)
htt

$$$$
Biochanin A.cdx
csChFnd80/09262109422D

 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
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htt

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Diosmetin.cdx
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520-34-3

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htt

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Indirubin.cdx
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htt

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>  <URL> (514)
htt

$$$$
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M  END
>  <Mol_ID> (519)
519

>  <Formula> (519)
C29H26ClFN4O4S

>  <MolWeight> (519)
581.0575432

>  <Cat> (519)
S2111

>  <Name> (519)
Lapatinib

>  <Synonyms> (519)
N/A

>  <Target> (519)
EGFR, HER2

>  <Form> (519)
Free Base

>  <CAS> (519)
231277-92-2

>  <URL> (519)
htt

$$$$
NVP-BGT226.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (520)
520

>  <Formula> (520)
C32H29F3N6O6

>  <MolWeight> (520)
650.6044696

>  <Cat> (520)
S2749

>  <Name> (520)
NVP-BGT226

>  <Synonyms> (520)
N/A

>  <Target> (520)
PI3K, mTOR

>  <Form> (520)
Maleate

>  <CAS> (520)
1245537-68-1

>  <URL> (520)
htt

$$$$
YM201636.cdx
csChFnd80/09262109422D

 35 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (521)
521

>  <Formula> (521)
C25H21N7O3

>  <MolWeight> (521)
467.47934

>  <Cat> (521)
S1219

>  <Name> (521)
YM201636

>  <Synonyms> (521)
N/A

>  <Target> (521)
PI3K 

>  <Form> (521)
Free Base

>  <CAS> (521)
371942-69-7

>  <URL> (521)
htt

$$$$
3-Methyladenine.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (522)
522

>  <Formula> (522)
C6H7N5

>  <MolWeight> (522)
149.15328

>  <Cat> (522)
S2767

>  <Name> (522)
3-Methyladen

>  <Synonyms> (522)
3-M

>  <Target> (522)
PI3K

>  <Form> (522)
Free Base

>  <CAS> (522)
5142-23-4

>  <URL> (522)
htt

$$$$
ARQ-197.cdx
csChFnd80/09262109422D

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c-Met

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htt

$$$$
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csChFnd80/09262109422D

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524

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N/A

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PDK-1, IKK

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Free Base

>  <CAS> (524)
702675-74-9

>  <URL> (524)
htt

$$$$
BX-912.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (525)
525

>  <Formula> (525)
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>  <MolWeight> (525)
471.35362

>  <Cat> (525)
S1275

>  <Name> (525)
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>  <Synonyms> (525)
N/A

>  <Target> (525)
PDK-1 

>  <Form> (525)
Free Base

>  <CAS> (525)
702674-56-4

>  <URL> (525)
htt

$$$$
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>  <Mol_ID> (526)
526

>  <Formula> (526)
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>  <Cat> (526)
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>  <Synonyms> (526)
N/A

>  <Target> (526)
c-Met

>  <Form> (526)
Free Base

>  <CAS> (526)
1185763-69-2

>  <URL> (526)
htt

$$$$
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527

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N/A

>  <Target> (527)
HDAC, PI3K

>  <Form> (527)
Free Base

>  <CAS> (527)
1339928-25-4

>  <URL> (527)
htt

$$$$

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528

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C27H33FN6O7

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>  <Cat> (528)
S2769

>  <Name> (528)
Dovitinib Di

>  <Synonyms> (528)
CHI

>  <Target> (528)
Flt, FGFR, PDGFR, VEGFR, c-Kit

>  <Form> (528)
Dilactic 

>  <CAS> (528)
852433-84-2

>  <URL> (528)
htt

$$$$
AST-1306.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (529)
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N/A

>  <Target> (529)
EGFR

>  <Form> (529)
Mesylate

>  <CAS> (529)
1050500-29-2

>  <URL> (529)
htt

$$$$
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530

>  <Formula> (530)
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>  <MolWeight> (530)
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>  <Cat> (530)
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>  <Name> (530)
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>  <Synonyms> (530)
 N/

>  <Target> (530)
CDK

>  <Form> (530)
Free Base

>  <CAS> (530)
582315-72-8

>  <URL> (530)
htt

$$$$
SB505124.cdx
csChFnd80/09262109422D

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TGF-beta/Smad 

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Free Base

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694433-59-5

>  <URL> (531)
htt

$$$$
MK-2461.cdx
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532

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MK-2461

>  <Synonyms> (532)
N/A

>  <Target> (532)
c-Met, FGFR, PDGFR

>  <Form> (532)
Free Base

>  <CAS> (532)
917879-39-1

>  <URL> (532)
htt

$$$$
Nocodazole.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (533)
533

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C14H11N3O3S

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301.32044

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S2775

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Nocodazole

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N/A

>  <Target> (533)
Microtubule Associated

>  <Form> (533)
Free Base

>  <CAS> (533)
31430-18-9

>  <URL> (533)
htt

$$$$
AZD2014.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (534)
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>  <Formula> (534)
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>  <Synonyms> (534)
N/A

>  <Target> (534)
mTOR

>  <Form> (534)
Free Base

>  <CAS> (534)
1009298-59-2

>  <URL> (534)
htt

$$$$
TAK-285.cdx
csChFnd80/09262109422D

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htt

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htt

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htt

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>  <Mol_ID> (552)
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>  <Formula> (552)
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Daphnetin

>  <Synonyms> (552)
N/A

>  <Target> (552)
DNA/RNA Synthesis

>  <Form> (552)
Free Base

>  <CAS> (552)
486-35-1

>  <URL> (552)
htt

$$$$
LY2784544.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (553)
553

>  <Formula> (553)
C23H25ClFN7O

>  <MolWeight> (553)
469.9423032

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S2179

>  <Name> (553)
Gandotinib (

>  <Synonyms> (553)
N/A

>  <Target> (553)
JAK 

>  <Form> (553)
Free Base

>  <CAS> (553)
1229236-86-5

>  <URL> (553)
htt

$$$$
AZD8931.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (554)
554

>  <Formula> (554)
C23H25ClFN5O3

>  <MolWeight> (554)
473.9277032

>  <Cat> (554)
S2192

>  <Name> (554)
AZD8931

>  <Synonyms> (554)
N/A

>  <Target> (554)
EGFR, HER2

>  <Form> (554)
Free Base

>  <CAS> (554)
848942-61-0

>  <URL> (554)
htt

$$$$
GSK 461364.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (555)
555

>  <Formula> (555)
C27H28F3N5O2S

>  <MolWeight> (555)
543.6037296

>  <Cat> (555)
S2193

>  <Name> (555)
GSK461364

>  <Synonyms> (555)
N/A

>  <Target> (555)
PLK

>  <Form> (555)
Free Base

>  <CAS> (555)
929095-18-1

>  <URL> (555)
htt

$$$$
R406.cdx
csChFnd80/09262109422D

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556

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Syk, Flt

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Besylate

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841290-81-1

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htt

$$$$
SGI 1776 free base.cdx
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557

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SGI-1776 fre

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N/A

>  <Target> (557)
Pim

>  <Form> (557)
Free Base

>  <CAS> (557)
1025065-69-3

>  <URL> (557)
htt

$$$$
BMS817378.cdx
csChFnd80/09262109422D

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BMS

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c-Met, VEGFR

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Free Base

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1174046-72-0

>  <URL> (558)
htt

$$$$
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VEGFR, Src, Raf, Bcr-Abl

>  <Form> (559)
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>  <CAS> (559)
940310-85-0

>  <URL> (559)
htt

$$$$
OSI 420.cdx
csChFnd80/09262109422D

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htt

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PIK 293.cdx
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900185-01-5 

>  <URL> (561)
htt

$$$$
Mubritinib.cdx
csChFnd80/09262109422D

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TAK

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HER2

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>  <CAS> (562)
366017-09-6

>  <URL> (562)
htt

$$$$
PP442.cdx
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>  <Name> (563)
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TOR

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mTOR

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1092351-67-1

>  <URL> (563)
htt

$$$$
SB 590885.cdx
csChFnd80/09262109422D

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564

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SB590885

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GSK

>  <Target> (564)
Raf

>  <Form> (564)
Free Base

>  <CAS> (564)
405554-55-4 

>  <URL> (564)
htt

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/09262109422D

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565

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EGC

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DNA Methyltransferase,HER2,Telomerase,EGFR

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>  <CAS> (565)
989-51-5

>  <URL> (565)
htt

$$$$
(+)-Usniacin.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (566)
566

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C18H16O7

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(+)-Usniacin

>  <Synonyms> (566)
D-U

>  <Target> (566)
Others

>  <Form> (566)
Free Base

>  <CAS> (566)
7562-61-0

>  <URL> (566)
htt

$$$$
AESCULIN.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (567)
567

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C15H16O9

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>  <Cat> (567)
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>  <Name> (567)
Aesculin (Es

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Esc

>  <Target> (567)
Others

>  <Form> (567)
Free Base

>  <CAS> (567)
531-75-9

>  <URL> (567)
htt

$$$$
Apigenin.cdx
csChFnd80/09262109422D

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>  <Target> (568)
P450

>  <Form> (568)
Free Base

>  <CAS> (568)
520-36-5

>  <URL> (568)
htt

$$$$
Asiatic acid.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (569)
569

>  <Formula> (569)
C30H48O5

>  <MolWeight> (569)
488.69912

>  <Cat> (569)
S2266

>  <Name> (569)
Asiatic acid

>  <Synonyms> (569)
N/A

>  <Target> (569)
p38 MAPK

>  <Form> (569)
Free Base

>  <CAS> (569)
464-92-6

>  <URL> (569)
htt

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/09262109422D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (570)
570

>  <Formula> (570)
C20H18ClNO4

>  <MolWeight> (570)
371.81422

>  <Cat> (570)
S2271

>  <Name> (570)
Berberine ch

>  <Synonyms> (570)
N/A

>  <Target> (570)
Antifection

>  <Form> (570)
chloride

>  <CAS> (570)
633-65-8

>  <URL> (570)
htt

$$$$
Cryptotanshinone.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (571)
571

>  <Formula> (571)
C19H20O3

>  <MolWeight> (571)
296.3603

>  <Cat> (571)
S2285

>  <Name> (571)
Cryptotanshi

>  <Synonyms> (571)
N/A

>  <Target> (571)
STAT

>  <Form> (571)
Free Base

>  <CAS> (571)
35825-57-1

>  <URL> (571)
htt

$$$$
Emodin.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (572)
572

>  <Formula> (572)
C15H10O5

>  <MolWeight> (572)
270.2369

>  <Cat> (572)
S2295

>  <Name> (572)
Emodin

>  <Synonyms> (572)
N/A

>  <Target> (572)
Dehydrogenase

>  <Form> (572)
Free Base

>  <CAS> (572)
518-82-1

>  <URL> (572)
htt

$$$$
Formononetin.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (573)
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Formononetin

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Bio

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Free Base

>  <CAS> (573)
485-72-3

>  <URL> (573)
htt

$$$$
Fumalic acid.cdx
csChFnd80/09262109422D

 14 14  0  0  0  0  0  0  0  0999 V2000
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574

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C10H10O4

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S2300

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Fumalic acid

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Fer

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Free Base

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1135-24-6

>  <URL> (574)
htt

$$$$
Hesperetin.cdx
csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (575)
575

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C16H14O6

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302.27876

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S2308

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Hesperetin

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N/A

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Histamine Receptor

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Free Base

>  <CAS> (575)
520-33-2

>  <URL> (575)
htt

$$$$
Honokiol.cdx
csChFnd80/09262109422D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (576)
576

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>  <MolWeight> (576)
266.33432

>  <Cat> (576)
S2310

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Honokiol

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N/A

>  <Target> (576)
Akt, MEK

>  <Form> (576)
Free Base

>  <CAS> (576)
35354-74-6

>  <URL> (576)
htt

$$$$
Myricetin.cdx
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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577

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C15H10O8

>  <MolWeight> (577)
318.2351

>  <Cat> (577)
S2326

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Myricetin (C

>  <Synonyms> (577)
Can

>  <Target> (577)
NULL

>  <Form> (577)
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>  <CAS> (577)
529-44-2

>  <URL> (577)
htt

$$$$
Myricitrin.cdx
csChFnd80/09262109422D

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Myr

>  <Target> (578)
PKC

>  <Form> (578)
Free Base

>  <CAS> (578)
17912-87-7

>  <URL> (578)
htt

$$$$
Oridonin.cdx
csChFnd80/09262109422D

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    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
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    6.1884    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8719    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  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
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 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> (579)
579

>  <Formula> (579)
C20H28O6

>  <MolWeight> (579)
364.43272

>  <Cat> (579)
S2335

>  <Name> (579)
Oridonin (Is

>  <Synonyms> (579)
Iso

>  <Target> (579)
Others

>  <Form> (579)
Free Base

>  <CAS> (579)
28957-04-2

>  <URL> (579)
htt

$$$$
Quercetin dihydrate.cdx
csChFnd80/09262109422D

 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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    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
    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
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 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> (580)
580

>  <Formula> (580)
C15H14O9

>  <MolWeight> (580)
338.26626

>  <Cat> (580)
S2347

>  <Name> (580)
Quercetin di

>  <Synonyms> (580)
Sop

>  <Target> (580)
Others

>  <Form> (580)
Dihydrate

>  <CAS> (580)
6151-25-3

>  <URL> (580)
htt

$$$$
Dihydromyricetin.cdx
csChFnd80/09262109422D

 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
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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
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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> (581)
581

>  <Formula> (581)
C15H12O8

>  <MolWeight> (581)
320.25098

>  <Cat> (581)
S2399

>  <Name> (581)
Dihydromyric

>  <Synonyms> (581)
Amp

>  <Target> (581)
Others

>  <Form> (581)
Free Base

>  <CAS> (581)
27200-12-0

>  <URL> (581)
htt

$$$$
Sophocarpine.cdx
csChFnd80/09262109422D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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> (582)
582

>  <Formula> (582)
C15H22N2O

>  <MolWeight> (582)
246.34798

>  <Cat> (582)
S2405

>  <Name> (582)
Sophocarpine

>  <Synonyms> (582)
N/A

>  <Target> (582)
Others

>  <Form> (582)
Free Base

>  <CAS> (582)
6483-15-4

>  <URL> (582)
htt

$$$$
Chrysophanic acid.cdx
csChFnd80/09262109422D

 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
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  4  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 13 14  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
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 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (583)
583

>  <Formula> (583)
C15H10O4

>  <MolWeight> (583)
254.2375

>  <Cat> (583)
S2406

>  <Name> (583)
Chrysophanic

>  <Synonyms> (583)
Chr

>  <Target> (583)
EGFR, mTOR

>  <Form> (583)
Free Base

>  <CAS> (583)
481-74-3

>  <URL> (583)
htt

$$$$
Curcumol.cdx
csChFnd80/09262109422D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (584)
584

>  <Formula> (584)
C15H24O2

>  <MolWeight> (584)
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S2407

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Curcumol

>  <Synonyms> (584)
N/A

>  <Target> (584)
JAK

>  <Form> (584)
Free Base

>  <CAS> (584)
4871-97-0

>  <URL> (584)
htt

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (585)
585

>  <Formula> (585)
C18H29ClN2O

>  <MolWeight> (585)
324.88866

>  <Cat> (585)
S2454

>  <Name> (585)
Bupivacaine 

>  <Synonyms> (585)
Mar

>  <Target> (585)
Sodium Channel

>  <Form> (585)
Hydrochlo

>  <CAS> (585)
18010-40-7

>  <URL> (585)
sel

$$$$
Imatinib.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (586)
586

>  <Formula> (586)
C29H31N7O

>  <MolWeight> (586)
493.60274

>  <Cat> (586)
S2475

>  <Name> (586)
Imatinib (ST

>  <Synonyms> (586)
STI

>  <Form> (586)
Free Base

>  <CAS> (586)
152459-95-5

>  <URL> (586)
htt

$$$$
PCI-32765.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (587)
587

>  <Formula> (587)
C25H24N6O2

>  <MolWeight> (587)
440.49706

>  <Cat> (587)
S2680

>  <Name> (587)
PCI-32765 (I

>  <Synonyms> (587)
N/A

>  <Target> (587)
Src

>  <Form> (587)
Free Base

>  <CAS> (587)
936563-96-1

>  <URL> (587)
htt

$$$$
TAK-901.cdx
csChFnd80/09262109422D

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htt

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Flt, JAK, c-RET

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Free Base

>  <CAS> (589)
936091-14-4

>  <URL> (589)
htt

$$$$
AMG900.cdx
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590

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N/A

>  <Target> (590)
Aurora Kinase

>  <Form> (590)
Free Base

>  <CAS> (590)
945595-80-2

>  <URL> (590)
htt

$$$$

csChFnd80/09262109422D

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>  <CAS> (591)
70476-82-3

>  <URL> (591)
htt

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Free Base

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1086062-66-9

>  <URL> (592)
htt

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>  <Mol_ID> (593)
593

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Fingolimod (

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Gil

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S1P Receptor, Bcr-Abl, PKC

>  <Form> (593)
Hydrochlo

>  <URL> (593)
htt

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>  <Formula> (594)
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>  <MolWeight> (594)
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CAL-101 (GS-

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CAL

>  <Target> (594)
PI3K 

>  <Form> (594)
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>  <CAS> (594)
870281-82-6

>  <URL> (594)
htt

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>  <Form> (595)
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>  <CAS> (595)
755038-65-4

>  <URL> (595)
htt

$$$$
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PI3K 

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Free Base

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htt

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csChFnd80/09262109422D

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htt

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Phenformin hydrochloride.cdx
csChFnd80/09262109422D

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834-28-6

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htt

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AZD5438.cdx
csChFnd80/09262109422D

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>  <URL> (599)
htt

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OSI-027.cdx
csChFnd80/09262109422D

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N/A

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mTOR

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Free Base

>  <CAS> (600)
936890-98-1

>  <URL> (600)
htt

$$$$
PP121.cdx
csChFnd80/09262109422D

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N/A

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DNA-PK, mTOR, PDGF

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Free Base

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1092788-83-4

>  <URL> (601)
htt

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/09262109422D

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602

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Isoprenaline

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Adrenergic Receptor

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Hydrochlo

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51-30-9

>  <URL> (602)
htt

$$$$
BKM-120.cdx
csChFnd80/09262109422D

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603

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>  <Target> (603)
PI3K

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Free Base

>  <CAS> (603)
944396-07-0

>  <URL> (603)
htt

$$$$
CX-4945.cdx
csChFnd80/09262109422D

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604

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1009820-21-6

>  <URL> (604)
htt

$$$$
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csChFnd80/09262109422D

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htt

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>  <URL> (616)
htt

$$$$
R547.cdx
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>  <URL> (617)
htt

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htt

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htt

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633

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N/A

>  <Target> (633)
Kinesin

>  <Form> (633)
Free Base

>  <CAS> (633)
1124329-14-1

>  <URL> (633)
htt

$$$$
CH2132799.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (634)
634

>  <Formula> (634)
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CH5132799

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N/A

>  <Target> (634)
PI3K, mTOR

>  <Form> (634)
Free Base

>  <CAS> (634)
1007207-67-1

>  <URL> (634)
htt

$$$$
GDC 0980.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (635)
635

>  <Formula> (635)
C23H30N8O3S

>  <MolWeight> (635)
498.6011

>  <Cat> (635)
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>  <Name> (635)
Apitolisib (

>  <Synonyms> (635)
N/A

>  <Target> (635)
mTOR, PI3K

>  <Form> (635)
Free Base

>  <CAS> (635)
1032754-93-0

>  <URL> (635)
htt

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (636)
636

>  <Formula> (636)
C21H21Cl2NO5

>  <MolWeight> (636)
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>  <Cat> (636)
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Flavopiridol

>  <Synonyms> (636)
N/A

>  <Target> (636)
CDK

>  <Form> (636)
Hydrochlo

>  <CAS> (636)
131740-09-5

>  <URL> (636)
htt

$$$$
PH797804.cdx
csChFnd80/09262109422D

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Aurora Kinase

>  <Form> (642)
Free Base

>  <CAS> (642)
1010085-13-8

>  <URL> (642)
htt

$$$$
CP868569.cdx
csChFnd80/09262109422D

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643

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C26H29N5O2

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>  <Name> (643)
Crenolanib (

>  <Synonyms> (643)
N/A

>  <Target> (643)
PDGFR

>  <Form> (643)
Free Base

>  <CAS> (643)
670220-88-9

>  <URL> (643)
htt

$$$$
AG-1478.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (644)
644

>  <Formula> (644)
C16H14ClN3O2

>  <MolWeight> (644)
315.75426

>  <Cat> (644)
S2728

>  <Name> (644)
AG-1478 (Tyr

>  <Synonyms> (644)
Tyr

>  <Target> (644)
EGFR

>  <Form> (644)
Free Base

>  <CAS> (644)
153436-53-4

>  <URL> (644)
htt

$$$$
PF-04691502.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (645)
645

>  <Formula> (645)
C22H27N5O4

>  <MolWeight> (645)
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>  <Cat> (645)
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>  <Name> (645)
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>  <Synonyms> (645)
N/A

>  <Target> (645)
mTOR, PI3K, Akt

>  <Form> (645)
Free Base

>  <CAS> (645)
1013101-36-4

>  <URL> (645)
htt

$$$$
Benidipine hydrochloride.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (646)
646

>  <Formula> (646)
C28H32ClN3O6

>  <MolWeight> (646)
542.02318

>  <Cat> (646)
S2017

>  <Name> (646)
Benidipine h

>  <Synonyms> (646)
N/A

>  <Target> (646)
calcium channel

>  <Form> (646)
Hydrochlo

>  <CAS> (646)
91599-74-5

>  <URL> (646)
htt

$$$$
Lonidamine.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (647)
647

>  <Formula> (647)
C15H10Cl2N2O2

>  <MolWeight> (647)
321.1581

>  <Cat> (647)
S2610

>  <Name> (647)
Lonidamine

>  <Synonyms> (647)
N/A

>  <Target> (647)
Others

>  <Form> (647)
Free Base

>  <CAS> (647)
50264-69-2

>  <URL> (647)
htt

$$$$
CP 673451.cdx
csChFnd80/09262109422D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (648)
648

>  <Formula> (648)
C24H27N5O2

>  <MolWeight> (648)
417.50348

>  <Cat> (648)
S1536

>  <Name> (648)
CP 673451

>  <Synonyms> (648)
CP6

>  <Target> (648)
Others

>  <Form> (648)
Free Base

>  <CAS> (648)
343787-29-1

>  <URL> (648)
htt

$$$$
Acarbose.cdx
csChFnd80/09262109422D

 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (649)
649

>  <Formula> (649)
C25H43NO18

>  <MolWeight> (649)
645.60482

>  <Cat> (649)
S1271

>  <Name> (649)
Acarbose

>  <Synonyms> (649)
Pra

>  <Target> (649)
Others

>  <Form> (649)
Free Base

>  <CAS> (649)
56180-94-0

>  <URL> (649)
htt

$$$$
ALPHACAINE (lidocaine).cdx
csChFnd80/09262109422D

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htt

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htt

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c-Met, VEGFR

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Free Base

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928037-13-2

>  <URL> (661)
htt

$$$$
WHI-P154.cdx
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662

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N/A

>  <Target> (662)
JAK, EGFR

>  <Form> (662)
Free Base

>  <CAS> (662)
211555-04-3

>  <URL> (662)
htt

$$$$
Schisandrin B.cdx
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>  <MolWeight> (663)
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>  <Name> (663)
Schisandrin 

>  <Synonyms> (663)
N/A

>  <Target> (663)
Others

>  <Form> (663)
Free Base

>  <CAS> (663)
61281-37-6

>  <URL> (663)
htt

$$$$
IKK-16.cdx
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>  <Synonyms> (664)
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>  <Target> (664)
IKK

>  <Form> (664)
Free Base

>  <CAS> (664)
873225-46-8

>  <URL> (664)
htt

$$$$
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htt

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csChFnd80/09262109422D

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504433-23-2

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htt

$$$$
BI-D1870.cdx
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>  <Target> (667)
S6 Kinase

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Free Base

>  <CAS> (667)
501437-28-1

>  <URL> (667)
htt

$$$$
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csChFnd80/09262109422D

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VEGFR

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193000-39-4

>  <URL> (668)
htt

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csChFnd80/09262109422D

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VEGFR

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Free Base

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690206-97-4

>  <URL> (669)
htt

$$$$
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csChFnd80/09262109422D

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TDZD-8

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GSK-3

>  <Form> (678)
Free Base

>  <CAS> (678)
327036-89-5 

>  <URL> (678)
htt

$$$$
Melatonin.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (679)
679

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C13H16N2O2

>  <MolWeight> (679)
232.27834

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S1204

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Melatonin

>  <Synonyms> (679)
Mel

>  <Target> (679)
MT Receptor

>  <Form> (679)
Free Base

>  <CAS> (679)
73-31-4

>  <URL> (679)
htt

$$$$
H-89.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (680)
680

>  <Formula> (680)
C20H22BrCl2N3O2S

>  <MolWeight> (680)
519.28258

>  <Cat> (680)
S1582

>  <Name> (680)
H 89 2HCl

>  <Synonyms> (680)
N/A

>  <Target> (680)
S6 Kinase

>  <Form> (680)
Dihydroch

>  <CAS> (680)
130964-39-5

>  <URL> (680)
htt

$$$$
Oxfendazole.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (681)
681

>  <Formula> (681)
C15H13N3O3S

>  <MolWeight> (681)
315.34702

>  <Cat> (681)
S1830

>  <Name> (681)
Oxfendazole

>  <Synonyms> (681)
N/A

>  <Target> (681)
Antifection

>  <Form> (681)
Free Base

>  <CAS> (681)
53716-50-0

>  <URL> (681)
htt

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (682)
682

>  <Formula> (682)
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>  <MolWeight> (682)
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>  <Cat> (682)
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>  <Name> (682)
Phenoxybenza

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N/A

>  <Target> (682)
Androgen Receptor

>  <Form> (682)
HCl

>  <CAS> (682)
63-92-3

>  <URL> (682)
htt

$$$$
Pazopanib.cdx
csChFnd80/09262109422D

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>  <Formula> (683)
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N/A

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Free Base

>  <CAS> (691)
354812-17-2

>  <URL> (691)
htt

$$$$
Doxapram HCl.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (692)
692

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C24H33ClN2O3

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Doxapram HCl

>  <Synonyms> (692)
N/A

>  <Target> (692)
Potassium Channel

>  <Form> (692)
HCl

>  <CAS> (692)
7081-53-0

>  <URL> (692)
htt

$$$$
nifuroxazide.cdx
csChFnd80/09262109422D

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693

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Nifuroxazide

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N/A

>  <Target> (693)
STAT

>  <Form> (693)
Free Base

>  <CAS> (693)
965-52-6

>  <URL> (693)
htt

$$$$
MDBN.cdx
csChFnd80/09262109422D

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Tyrosinase,p97,Syk,Src

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Free Base

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1485-00-3

>  <URL> (694)
htt

$$$$
VX-745.cdx
csChFnd80/09262109422D

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695

>  <Formula> (695)
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VX-745

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N/A

>  <Target> (695)
p38 MAPK 

>  <Form> (695)
Free Base

>  <CAS> (695)
209410-46-8

>  <URL> (695)
htt

$$$$
untitled.cdx
csChFnd80/09262109422D

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696

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csChFnd80/09262109422D

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VEGFR

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480-18-2

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htt

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Flufenamic acid.cdx
csChFnd80/09262109422D

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COX

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530-78-9

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htt

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Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/09262109422D

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923032-37-5

>  <URL> (699)
htt

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Dicoumarol.cdx
csChFnd80/09262109422D

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66-76-2

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htt

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csChFnd80/09262109422D

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M  END
>  <Mol_ID> (701)
701

>  <Formula> (701)
C24H25ClFN5O3

>  <MolWeight> (701)
485.9384032

>  <Cat> (701)
S1011

>  <Name> (701)
Afatinib (BI

>  <Synonyms> (701)
N/A

>  <Target> (701)
EGFR

>  <Form> (701)
Free Base

>  <CAS> (701)
439081-18-2

>  <URL> (701)
htt

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (702)
702

>  <Formula> (702)
C44H69NO12

>  <MolWeight> (702)
804.01816

>  <Cat> (702)
S5003

>  <Name> (702)
Tacrolimus (

>  <Synonyms> (702)
FR9

>  <Target> (702)
mTOR

>  <Form> (702)
Free Base

>  <CAS> (702)
104987-11-3

>  <URL> (702)
htt

$$$$
Temsirolimus.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (703)
703

>  <Formula> (703)
C56H87NO16

>  <MolWeight> (703)
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htt

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Free Base

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1291074-87-7

>  <URL> (704)
htt

$$$$
PF-2341066.cdx
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N/A

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c-Met, ALK

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>  <CAS> (705)
877399-52-5,

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htt

$$$$
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>  <Target> (706)
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>  <CAS> (706)
714971-09-2

>  <URL> (706)
htt

$$$$
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (707)
707

>  <Formula> (707)
C21H20ClNO5

>  <MolWeight> (707)
401.8402

>  <Cat> (707)
S1230

>  <Name> (707)
Flavopiridol

>  <Synonyms> (707)
NSC

>  <Target> (707)
CDK

>  <Form> (707)
Free Base

>  <CAS> (707)
146426-40-6

>  <URL> (707)
htt

$$$$
6-Benzylaminopurine.cdx
csChFnd80/09262109422D

 17 19  0  0  0  0  0  0  0  0999 V2000
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    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 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    2.5326    0.0000 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
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 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (708)
708

>  <Formula> (708)
C12H11N5

>  <MolWeight> (708)
225.24924

>  <Cat> (708)
S4511

>  <Name> (708)
6-Benzylamin

>  <Synonyms> (708)
N/A

>  <Target> (708)
Others

>  <Form> (708)
Free Base

>  <CAS> (708)
1214-39-7

>  <URL> (708)
htt

$$$$

csChFnd80/09262109422D

 20 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   11.1099   18.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
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  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> (709)
709

>  <Formula> (709)
C6H13Li3O11

>  <MolWeight> (709)
281.98382

>  <Cat> (709)
S4519

>  <Name> (709)
Citric acid 

>  <Synonyms> (709)
Tri

>  <Target> (709)
Others

>  <Form> (709)
Free Base

>  <CAS> (709)
6080-58-6

>  <URL> (709)
htt

$$$$
Danthron.cdx
csChFnd80/09262109422D

 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
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    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
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  4 10  1  0  0  0  0
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 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> (710)
710

>  <Formula> (710)
C14H8O4

>  <MolWeight> (710)
240.21092

>  <Cat> (710)
S4561

>  <Name> (710)
Danthron

>  <Synonyms> (710)
chr

>  <Target> (710)
Others

>  <Form> (710)
Free Base

>  <CAS> (710)
117-10-2

>  <URL> (710)
htt

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/09262109422D

 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
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (711)
711

>  <Formula> (711)
C14H23ClN2O

>  <MolWeight> (711)
270.79822

>  <Cat> (711)
S4667

>  <Name> (711)
Lidocaine hy

>  <Synonyms> (711)
	Li

>  <Target> (711)
Others

>  <Form> (711)
hydrochlo

>  <CAS> (711)
73-78-9

>  <URL> (711)
htt

$$$$
S4711 Esculetin.cdx
csChFnd80/09262109422D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    2.4249    0.0000    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 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
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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M  END
>  <Mol_ID> (712)
712

>  <Formula> (712)
C9H6O4

>  <MolWeight> (712)
178.14154

>  <Cat> (712)
S4711

>  <Name> (712)
Esculetin

>  <Synonyms> (712)
Cic

>  <Target> (712)
Others

>  <Form> (712)
Free Base

>  <CAS> (712)
305-01-1

>  <URL> (712)
htt

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/09262109422D

 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
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    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
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  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (713)
713

>  <Formula> (713)
C6H12O5

>  <MolWeight> (713)
164.15648

>  <Cat> (713)
S4701

>  <Name> (713)
2-Deoxy-D-gl

>  <Synonyms> (713)
2-d

>  <Target> (713)
Others

>  <Form> (713)
Free Base

>  <CAS> (713)
154-17-6

>  <URL> (713)
htt

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/09262109422D

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htt

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htt

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S4743 Wogonin.cdx
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M  END
>  <Mol_ID> (719)
719

>  <Formula> (719)
C37H42Cl2N2O6

>  <MolWeight> (719)
681.64518

>  <Cat> (719)
S3609

>  <Name> (719)
Berbamine (d

>  <Synonyms> (719)
N/A

>  <Target> (719)
NF-¦ÊB,bcr/abl

>  <Form> (719)
dihydroch

>  <CAS> (719)
6078-17-7

>  <URL> (719)
htt

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (720)
720

>  <Formula> (720)
C18H16O8

>  <MolWeight> (720)
360.31484

>  <Cat> (720)
S3612

>  <Name> (720)
Rosmarinic a

>  <Synonyms> (720)
Ros

>  <Target> (720)
IKK ¦Â

>  <Form> (720)
free base

>  <CAS> (720)
20283-92-5

>  <URL> (720)
htt

$$$$
S3606 Fangchinoline.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (721)
721

>  <Formula> (721)
C37H40N2O6

>  <MolWeight> (721)
608.7233

>  <Cat> (721)
S3606

>  <Name> (721)
Fangchinolin

>  <Synonyms> (721)
N/A

>  <Target> (721)
HIV-1

>  <Form> (721)
free base

>  <CAS> (721)
33889-68-8

>  <URL> (721)
htt

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/09262109422D

  7  6  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (722)
722

>  <Formula> (722)
C4H7NO2

>  <MolWeight> (722)
101.10388

>  <Cat> (722)
S3699

>  <Name> (722)
2,3-Butanedi

>  <Synonyms> (722)
Dia

>  <Target> (722)
skeletal muscle myosin-II

>  <Form> (722)
free base

>  <CAS> (722)
57-71-6

>  <URL> (722)
htt

$$$$
S3616 Asiaticoside.cdx
csChFnd80/09262109422D

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free base

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htt

$$$$
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>  <URL> (724)
htt

$$$$
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csChFnd80/09262109422D

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htt

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csChFnd80/09262109422D

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73-03-0

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htt

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727

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free base

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htt

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/09262109422D

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728

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N/A

>  <Target> (728)
PKC

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free base

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2348-82-5

>  <URL> (728)
htt

$$$$
S3648 Amlexanox.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (729)
729

>  <Formula> (729)
C16H14N2O4

>  <MolWeight> (729)
298.29336

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S3648

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Amlexanox

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AA-

>  <Target> (729)
TBK1,IKK-¦Å

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free base

>  <CAS> (729)
68302-57-8

>  <URL> (729)
htt

$$$$
S3666 Ilaprazole.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (730)
730

>  <Formula> (730)
C19H18N4O2S

>  <MolWeight> (730)
366.43682

>  <Cat> (730)
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>  <Name> (730)
Ilaprazole

>  <Synonyms> (730)
IY-

>  <Target> (730)
Proton pump,TOPK 

>  <Form> (730)
free base

>  <CAS> (730)
172152-36-2

>  <URL> (730)
htt

$$$$
S3939 4'-Methoxyresveratrol.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (731)
731

>  <Formula> (731)
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4'-Methoxyre

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N/A

>  <Target> (731)
Others

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free base

>  <CAS> (731)
33626-08-3

>  <URL> (731)
htt

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/09262109422D

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   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> (732)
732

>  <Formula> (732)
C16H16O4

>  <MolWeight> (732)
272.29584

>  <Cat> (732)
S3940

>  <Name> (732)
3'-Hydroxypt

>  <Synonyms> (732)
3'-

>  <Target> (732)
Others

>  <Form> (732)
free base

>  <CAS> (732)
475231-21-1

>  <URL> (732)
htt

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/09262109422D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.5458    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    2.1429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1209    2.8429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9085    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    4.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173    4.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9749    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2155    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9804    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7583    0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3742    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4280    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  4  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (733)
733

>  <Formula> (733)
C18H22O4

>  <MolWeight> (733)
302.36488

>  <Cat> (733)
S3984

>  <Name> (733)
Nordihydrogu

>  <Synonyms> (733)
N/A

>  <Target> (733)
lipoxygenase

>  <Form> (733)
free base

>  <CAS> (733)
500-38-9

>  <URL> (733)
htt

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/09262109422D

 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> (734)
734

>  <Formula> (734)
C6H13NO4

>  <MolWeight> (734)
163.17172

>  <Cat> (734)
S3839

>  <Name> (734)
1-Deoxynojir

>  <Synonyms> (734)
duv

>  <Target> (734)
¦Á-glucosidase

>  <Form> (734)
free base

>  <CAS> (734)
19130-96-2

>  <URL> (734)
htt

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/09262109422D

 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> (735)
735

>  <Formula> (735)
C13H13ClN2O

>  <MolWeight> (735)
248.70812

>  <Cat> (735)
S3817

>  <Name> (735)
Harmine hydr

>  <Synonyms> (735)
tel

>  <Target> (735)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (735)
hydrochlo

>  <CAS> (735)
343-27-1

>  <URL> (735)
htt

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/09262109422D

 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> (736)
736

>  <Formula> (736)
C19H20O5

>  <MolWeight> (736)
328.3591

>  <Cat> (736)
S3819

>  <Name> (736)
Decursinol a

>  <Synonyms> (736)
N/A

>  <Target> (736)
PKC

>  <Form> (736)
free base

>  <CAS> (736)
130848-06-5

>  <URL> (736)
htt

$$$$
S3824 Quercitrin.cdx
csChFnd80/09262109422D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    6.9967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4927    8.3967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    6.2935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7070    9.0935    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2821    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9138    6.9902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9175    8.3902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7107   10.4935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1318    9.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
 12  6  1  1  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  6  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  6  0  0  0
 26 31  1  6  0  0  0
 26 29  1  0  0  0  0
 29 32  1  1  0  0  0
M  END
>  <Mol_ID> (737)
737

>  <Formula> (737)
C21H20O11

>  <MolWeight> (737)
448.3769

>  <Cat> (737)
S3824

>  <Name> (737)
Quercitrin

>  <Synonyms> (737)
3-r

>  <Target> (737)
Others

>  <Form> (737)
free base

>  <CAS> (737)
522-12-3

>  <URL> (737)
htt

$$$$
S3836 6-Gingerol.cdx
csChFnd80/09262109422D

 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
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M  END
>  <Mol_ID> (738)
738

>  <Formula> (738)
C17H26O4

>  <MolWeight> (738)
294.38594

>  <Cat> (738)
S3836

>  <Name> (738)
6-Gingerol

>  <Synonyms> (738)
CI-

>  <Target> (738)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (738)
free base

>  <CAS> (738)
23513-14-6

>  <URL> (738)
htt

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (739)
739

>  <Formula> (739)
C19H17NaO6S

>  <MolWeight> (739)
396.38945

>  <Cat> (739)
S3766

>  <Name> (739)
Tanshinone I

>  <Synonyms> (739)
N/A

>  <Target> (739)
CYP3A4

>  <Form> (739)
sodium sa

>  <CAS> (739)
69659-80-9

>  <URL> (739)
htt

$$$$
S3759 Norcantharidin.cdx
csChFnd80/09262109422D

 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
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M  END
>  <Mol_ID> (740)
740

>  <Formula> (740)
C8H8O4

>  <MolWeight> (740)
168.14672

>  <Cat> (740)
S3759

>  <Name> (740)
Norcantharid

>  <Synonyms> (740)
End

>  <Target> (740)
c-Met,EGFR

>  <Form> (740)
free base

>  <CAS> (740)
29745-04-8

>  <URL> (740)
htt

$$$$
S3783 Echinacoside.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (741)
741

>  <Formula> (741)
C35H46O20

>  <MolWeight> (741)
786.72774

>  <Cat> (741)
S3783

>  <Name> (741)
Echinacoside

>  <Synonyms> (741)
N/A

>  <Target> (741)
Others

>  <Form> (741)
free base

>  <CAS> (741)
82854-37-3

>  <URL> (741)
htt

$$$$
S3784 Obacunone.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (742)
742

>  <Formula> (742)
C26H30O7

>  <MolWeight> (742)
454.5122

>  <Cat> (742)
S3784

>  <Name> (742)
Obacunone

>  <Synonyms> (742)
N/A

>  <Target> (742)
Nrf2,Aromatase

>  <Form> (742)
free base

>  <CAS> (742)
751-03-1

>  <URL> (742)
htt

$$$$
S3786 Glabridin.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (743)
743

>  <Formula> (743)
C20H20O4

>  <MolWeight> (743)
324.3704

>  <Cat> (743)
S3786

>  <Name> (743)
Glabridin

>  <Synonyms> (743)
Q-1

>  <Target> (743)
PPAR¦Ã,¦Á1¦Â2¦Ã2,¦Á1¦Â3¦Ã2,¦Á1¦Â2,¦Á1¦Â1¦Ã2

>  <Form> (743)
free base

>  <CAS> (743)
59870-68-7

>  <URL> (743)
htt

$$$$
S3787 Picroside I.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (744)
744

>  <Formula> (744)
C24H28O11

>  <MolWeight> (744)
492.47252

>  <Cat> (744)
S3787

>  <Name> (744)
Picroside I

>  <Synonyms> (744)
6'-

>  <Target> (744)
Antifection

>  <Form> (744)
free base

>  <CAS> (744)
27409-30-9

>  <URL> (744)
htt

$$$$
S3918 4',7-Dimethoxy-5-Hydroxyflavone.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (745)
745

>  <Formula> (745)
C17H14O5

>  <MolWeight> (745)
298.29006

>  <Cat> (745)
S3918

>  <Name> (745)
4',7-Dimetho

>  <Synonyms> (745)
api

>  <Target> (745)
Others

>  <Form> (745)
free base

>  <CAS> (745)
5128-44-9

>  <URL> (745)
htt

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/09262109422D

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Others

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free base

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15291-76-6

>  <URL> (749)
htt

$$$$
S3799 Gentisic acid.cdx
csChFnd80/09262109422D

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free base

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490-79-9

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htt

$$$$
S3926 Forsythin.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (751)
751

>  <Formula> (751)
C27H34O11

>  <MolWeight> (751)
534.55226

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S3926

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Forsythin

>  <Synonyms> (751)
Phi

>  <Target> (751)
Others

>  <Form> (751)
free base

>  <CAS> (751)
487-41-2

>  <URL> (751)
htt

$$$$
LY2109761.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (752)
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>  <MolWeight> (752)
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>  <Cat> (752)
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N/A

>  <Target> (752)
TGF-beta/Smad

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Free Base

>  <CAS> (752)
700874-71-1 

>  <URL> (752)
htt

$$$$
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csChFnd80/09262109422D

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htt

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htt

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htt

$$$$
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csChFnd80/09262109422D

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50-63-5

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htt

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htt

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htt

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htt

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htt

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>  <Mol_ID> (773)
773

>  <Formula> (773)
C54H92O23

>  <MolWeight> (773)
1109.29448

>  <Cat> (773)
S3924

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Ginsenoside 

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Gyp

>  <Target> (773)
Others

>  <Form> (773)
free base

>  <CAS> (773)
41753-43-9

>  <URL> (773)
htt

$$$$
S3868 Harmine.cdx
csChFnd80/09262109422D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (774)
774

>  <Formula> (774)
C13H12N2O

>  <MolWeight> (774)
212.24718

>  <Cat> (774)
S3868

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Harmine

>  <Synonyms> (774)
tel

>  <Target> (774)
PPAR¦Ã,MAO-A

>  <Form> (774)
free base

>  <CAS> (774)
442-51-3

>  <URL> (774)
htt

$$$$
S3980 Pyridoxine.cdx
csChFnd80/09262109422D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (775)
775

>  <Formula> (775)
C8H11NO3

>  <MolWeight> (775)
169.17784

>  <Cat> (775)
S3980

>  <Name> (775)
Pyridoxine

>  <Synonyms> (775)
Pyr

>  <Target> (775)
Others

>  <Form> (775)
free base

>  <CAS> (775)
65-23-6

>  <URL> (775)
htt

$$$$
S4990 TBHQ.cdx
csChFnd80/09262109422D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (776)
776

>  <Formula> (776)
C10H14O2

>  <MolWeight> (776)
166.21696

>  <Cat> (776)
S4990

>  <Name> (776)
TBHQ

>  <Synonyms> (776)
Ter

>  <Target> (776)
Nrf2

>  <Form> (776)
free base

>  <CAS> (776)
1948-33-0

>  <URL> (776)
htt

$$$$
S4953 Usnic acid.cdx
csChFnd80/09262109422D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (777)
777

>  <Formula> (777)
C18H16O7

>  <MolWeight> (777)
344.31544

>  <Cat> (777)
S4953

>  <Name> (777)
Usnic acid

>  <Synonyms> (777)
Usn

>  <Target> (777)
Others

>  <Form> (777)
free base

>  <CAS> (777)
125-46-2

>  <URL> (777)
htt

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/09262109422D

 43 47  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (778)
778

>  <Formula> (778)
C32H40O8

>  <MolWeight> (778)
552.6552

>  <Cat> (778)
S3832

>  <Name> (778)
Euphorbiaste

>  <Synonyms> (778)
Eup

>  <Target> (778)
Others

>  <Form> (778)
free base

>  <CAS> (778)
28649-59-4

>  <URL> (778)
htt

$$$$
S4861 Oxindole.cdx
csChFnd80/09262109422D

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free base

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 11013-97-1

$$$$
SNS-314 Mesylate.cdx
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>  <Mol_ID> (785)
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Aurora Kinase

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Mesylate

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1146618-41-8

>  <URL> (785)
htt

$$$$
S3810 Scutellarin.cdx
csChFnd80/09262109422D

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786

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Scutellarin

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Bre

>  <Target> (786)
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free base

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27740-01-8

>  <URL> (786)
htt

$$$$
untitled.cdx
csChFnd80/09262109422D

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htt

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387867-13-2

>  <URL> (788)
htt

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untitled.cdx
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443913-73-3

>  <URL> (789)
htt

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>  <Synonyms> (790)
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>  <Target> (790)
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>  <Form> (790)
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>  <CAS> (790)
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>  <URL> (790)
htt

$$$$
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htt

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htt

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htt

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htt

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>  <URL> (799)
htt

$$$$
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htt

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csChFnd80/09262109422D

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htt

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flt-3 inhibitor I(TCS 359).cdx
csChFnd80/09262109422D

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FLT3

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301305-73-7

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htt

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Sodium Fluorophosphate.cdx
csChFnd80/09262109422D

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10163-15-2

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htt

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csChFnd80/09262109422D

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htt

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csChFnd80/09262109422D

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htt

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csChFnd80/09262109422D

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 10  5  1  0  0  0  0
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 18 19  1  0  0  0  0
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  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> (815)
815

>  <Formula> (815)
C22H24ClN3O4

>  <MolWeight> (815)
429.89666

>  <Cat> (815)
S1023

>  <Name> (815)
Erlotinib(OS

>  <Synonyms> (815)
(CP

>  <Target> (815)
EGFR

>  <Form> (815)
Hydrochlo

>  <CAS> (815)
183319-69-9

>  <URL> (815)
htt

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/09262109422D

 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
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
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  9  5  2  0  0  0  0
  2 10  1  0  0  0  0
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 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
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 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> (816)
816

>  <Formula> (816)
C16H15BrClN5O4S

>  <MolWeight> (816)
488.7434

>  <Cat> (816)
S1205

>  <Name> (816)
PIK-75 

>  <Synonyms> (816)
N/A

>  <Target> (816)
PI3K, DNA-PK

>  <Form> (816)
Hydrochlo

>  <CAS> (816)
372196-77-5

>  <URL> (816)
htt

$$$$
S1037.cdx
csChFnd80/09262109422D

 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
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    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 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
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 19 24  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (817)
817

>  <Formula> (817)
C25H52NO4P

>  <MolWeight> (817)
461.658441

>  <Cat> (817)
S1037

>  <Name> (817)
Perifosine (

>  <Synonyms> (817)
NSC

>  <Target> (817)
Akt

>  <Form> (817)
Free Base

>  <CAS> (817)
157716-52-4

>  <URL> (817)
htt

$$$$
Ellagic acid.cdx
csChFnd80/09262109422D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 13  6  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16  1  2  0  0  0  0
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  3 19  2  0  0  0  0
  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> (818)
818

>  <Formula> (818)
C14H6O8

>  <MolWeight> (818)
302.19264

>  <Cat> (818)
S1327

>  <Name> (818)
Ellagic acid

>  <Synonyms> (818)
N/A

>  <Target> (818)
Topoisomerases

>  <Form> (818)
Free Base

>  <CAS> (818)
476-66-4

>  <URL> (818)
htt

$$$$
bms-707035.cdx
csChFnd80/09262109422D

 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
    5.8531    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  7  8  2  0  0  0  0
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 10  5  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 22 18  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (819)
819

>  <Formula> (819)
C18H11N3O2S

>  <MolWeight> (819)
333.36384

>  <Cat> (819)
S1360

>  <Name> (819)
GSK1059615

>  <Synonyms> (819)
N/A

>  <Target> (819)
PI3K, mTOR

>  <Form> (819)
Free Base

>  <CAS> (819)
958852-01-2

>  <URL> (819)
htt

$$$$
LY2228820.cdx
csChFnd80/09262109422D

 41 42  0  0  0  0  0  0  0  0999 V2000
    0.0000    9.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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862507-23-1

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htt

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htt

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>  <Form> (822)
Sodium Sa

>  <CAS> (822)
1025687-58-4

>  <URL> (822)
htt

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745833-23-2

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htt

$$$$
PK-1587.cdx
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mTOR, PI3K

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1197160-78-3

>  <URL> (824)
htt

$$$$
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csChFnd80/09262109422D

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MK-

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hydrochlo

>  <CAS> (825)
17440-83-4

>  <URL> (825)
htt

$$$$
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csChFnd80/09262109422D

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>  <URL> (826)
htt

$$$$
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csChFnd80/09262109422D

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CHK

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Free Base

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891494-63-6

>  <URL> (827)
htt

$$$$
Disodium Cromoglycate.cdx
csChFnd80/09262109422D

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828

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>  <Name> (828)
Disodium Cro

>  <Synonyms> (828)
Gyn

>  <Target> (828)
Calcium Channel

>  <Form> (828)
Disodium 

>  <CAS> (828)
15826-37-6

>  <URL> (828)
htt

$$$$
CCT137690.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (829)
829

>  <Formula> (829)
C26H31BrN8O

>  <MolWeight> (829)
551.48134

>  <Cat> (829)
S2744

>  <Name> (829)
CCT137690

>  <Synonyms> (829)
N/A

>  <Target> (829)
Aurora Kinase

>  <Form> (829)
Free Base

>  <CAS> (829)
1095382-05-0

>  <URL> (829)
htt

$$$$
PYR 41.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (830)
830

>  <Formula> (830)
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>  <MolWeight> (830)
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>  <Cat> (830)
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>  <Name> (830)
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>  <Synonyms> (830)
N/A

>  <Target> (830)
E1 Activating

>  <Form> (830)
Free Base

>  <CAS> (830)
418805-02-4

>  <URL> (830)
htt

$$$$
BI-847325.cdx
csChFnd80/09262109422D

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htt

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8-Bromo-cAMP.cdx
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PKA

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sodium sa

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76939-46-3

>  <URL> (839)
htt

$$$$
BLU9931.cdx
csChFnd80/09262109422D

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>  <URL> (840)
htt

$$$$
TP-0903.cdx
csChFnd80/09262109422D

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>  <URL> (841)
htt

$$$$
FLLL32.cdx
csChFnd80/09262109422D

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JAK

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Free Base

>  <CAS> (842)
1226895-15-3

>  <URL> (842)
htt

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/09262109422D

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Disodium (R)

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N/A

>  <Target> (843)
Others

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disodium 

>  <CAS> (843)
103404-90-6

>  <URL> (843)
htt

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/09262109422D

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844

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>  <Cat> (844)
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>  <Name> (844)
Sodium Tauro

>  <Synonyms> (844)
N/A

>  <Target> (844)
Antifection

>  <Form> (844)
sodium sa

>  <CAS> (844)
35807-85-3

>  <URL> (844)
htt

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/09262109422D

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845

>  <Formula> (845)
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>  <MolWeight> (845)
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>  <Cat> (845)
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>  <Name> (845)
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>  <Synonyms> (845)
RG7

>  <Target> (845)
PI3K

>  <Form> (845)
Free Base

>  <CAS> (845)
1282512-48-4

>  <URL> (845)
htt

$$$$
ONO-4059.cdx
csChFnd80/09262109422D

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ONO

>  <Target> (846)
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>  <CAS> (846)
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>  <URL> (846)
htt

$$$$
SBI-0206965.cdx
csChFnd80/09262109422D

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htt

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ATR

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hydrochlo

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1876467-74-1

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htt

$$$$
S5119 Olivetol.cdx
csChFnd80/09262109422D

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CB1,CB2,CYP1A1,CYP2C19

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free base

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500-66-3

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htt

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S3753 L-Leucine.cdx
csChFnd80/09262109422D

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861

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L-Leucine

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(S)

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Others

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free base

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61-90-5

>  <URL> (861)
htt

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/09262109422D

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862

>  <Formula> (862)
C17H15N9

>  <MolWeight> (862)
345.3613

>  <Cat> (862)
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Savolitinib(

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Vol

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MET

>  <Form> (862)
free base

>  <CAS> (862)
1313725-88-0

>  <URL> (862)
htt

$$$$
S3801 Sodium Houttuyfonate.cdx
csChFnd80/09262109422D

 21 19  0  0  0  0  0  0  0  0999 V2000
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863

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sodium sa

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1847-58-1

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htt

$$$$
S3813 Bakuchiol.cdx
csChFnd80/09262109422D

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free base

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10309-37-2

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htt

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SKI II (SphK-I2).cdx
csChFnd80/09262109422D

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865

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>  <Name> (865)
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Sph

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S1P Receptor

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Free Base

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312636-16-1

>  <URL> (865)
htt

$$$$
MEK162 (ARRY-438162).cdx
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M  END
>  <Mol_ID> (870)
870

>  <Formula> (870)
C17H13N5

>  <MolWeight> (870)
287.31862

>  <Cat> (870)
S7223

>  <Name> (870)
RepSox

>  <Synonyms> (870)
E-6

>  <Target> (870)
TGF-beta/Smad

>  <Form> (870)
Free Base

>  <CAS> (870)
446859-33-2

>  <URL> (870)
htt

$$$$
AZD2858.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (871)
871

>  <Formula> (871)
C21H23N7O3S

>  <MolWeight> (871)
453.51742

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S7253

>  <Name> (871)
AZD2858

>  <Synonyms> (871)
N/A

>  <Target> (871)
GSK-3

>  <Form> (871)
Free Base

>  <CAS> (871)
486424-20-8

>  <URL> (871)
htt

$$$$
ZM39923 HCl.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (872)
872

>  <Formula> (872)
C23H26ClNO

>  <MolWeight> (872)
367.91164

>  <Cat> (872)
S8004

>  <Name> (872)
ZM 39923 HCl

>  <Synonyms> (872)
N/A

>  <Target> (872)
JAK

>  <Form> (872)
HCl

>  <CAS> (872)
1021868-92-7

>  <URL> (872)
htt

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (873)
873

>  <Formula> (873)
C26H27N5O5S2

>  <MolWeight> (873)
553.65308

>  <Cat> (873)
S7207

>  <Name> (873)
Ro 31-8220 M

>  <Synonyms> (873)
Bis

>  <Target> (873)
PKC

>  <Form> (873)
Mesylate

>  <CAS> (873)
138489-18-6

>  <URL> (873)
htt

$$$$
CZC24832.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (887)
887

>  <Formula> (887)
C24H27N7O

>  <MolWeight> (887)
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>  <Cat> (887)
S7338

>  <Name> (887)
AZ191

>  <Synonyms> (887)
N/A

>  <Target> (887)
DYRK

>  <Form> (887)
Free Base

>  <URL> (887)
htt

$$$$
Pacritinib (SB1518).cdx
csChFnd80/09262109422D

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>  <Mol_ID> (888)
888

>  <Formula> (888)
C28H32N4O3

>  <MolWeight> (888)
472.57868

>  <Cat> (888)
S8057

>  <Name> (888)
Pacritinib (

>  <Synonyms> (888)
N/A

>  <Target> (888)
JAK

>  <Form> (888)
Free Base

>  <CAS> (888)
937272-79-2

>  <URL> (888)
htt

$$$$
Sorafenib.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (889)
889

>  <Formula> (889)
C21H16ClF3N4O3

>  <MolWeight> (889)
464.8249496

>  <Cat> (889)
S7397

>  <Name> (889)
Sorafenib

>  <Synonyms> (889)
BAY

>  <Target> (889)
Raf

>  <Form> (889)
Free Base

>  <CAS> (889)
284461-73-0

>  <URL> (889)
htt

$$$$
PF-562271.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (890)
890

>  <Formula> (890)
C21H21ClF3N7O3S

>  <MolWeight> (890)
543.9497496

>  <Cat> (890)
S7357

>  <Name> (890)
PF-562271 HC

>  <Synonyms> (890)
N/A

>  <Target> (890)
FAK

>  <Form> (890)
Hydrochlo

>  <URL> (890)
htt

$$$$
TG003.cdx
csChFnd80/09262109422D

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htt

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htt

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htt

$$$$
LEE011-2.cdx
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CDK

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>  <CAS> (905)
1211441-98-3

>  <URL> (905)
htt

$$$$
LM-3230 NH125.cdx
csChFnd80/09262109422D

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N/A

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CaMK

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iodide

>  <CAS> (906)
278603-08-0

>  <URL> (906)
htt

$$$$
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>  <Mol_ID> (907)
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>  <Formula> (907)
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>  <MolWeight> (907)
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>  <Synonyms> (907)
N/A

>  <Target> (907)
phosphatase

>  <Form> (907)
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>  <CAS> (907)
1164470-53-4

>  <URL> (907)
htt

$$$$
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htt

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VEGFR

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htt

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1-Azakenpaullone.cdx
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htt

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htt

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htt

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htt

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htt

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>  <URL> (916)
htt

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930

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N/A

>  <Target> (930)
Pim

>  <Form> (930)
Free Base

>  <CAS> (930)
1204144-28-4

>  <URL> (930)
htt

$$$$
CX-6258 HCl .cdx
csChFnd80/09262109422D

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>  <Mol_ID> (931)
931

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498.401

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S7041

>  <Name> (931)
CX-6258 HCl

>  <Synonyms> (931)
N/A

>  <Target> (931)
Pim

>  <Form> (931)
Hydrochlo

>  <CAS> (931)
1353859-00-3

>  <URL> (931)
htt

$$$$
EHT 1864.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (932)
932

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C25H29Cl2F3N2O4S

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>  <Name> (932)
EHT 1864 2HC

>  <Synonyms> (932)
N/A

>  <Target> (932)
Rho

>  <Form> (932)
Dihydroch

>  <CAS> (932)
754240-09-0

>  <URL> (932)
htt

$$$$
LDC000067.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (933)
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>  <Name> (933)
LDC000067

>  <Synonyms> (933)
LDC

>  <Target> (933)
CDK

>  <Form> (933)
Free Base

>  <CAS> (933)
1073485-20-7

>  <URL> (933)
htt

$$$$
XMD8-92.cdx
csChFnd80/09262109422D

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ERK

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Free Base

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1234480-50-2

>  <URL> (934)
htt

$$$$
IWP-2.cdx
csChFnd80/09262109422D

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Wnt/beta-catenin

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Free Base

>  <CAS> (935)
686770-61-6

>  <URL> (935)
htt

$$$$
CGI1746 .cdx
csChFnd80/09262109422D

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>  <Cat> (936)
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>  <Name> (936)
CGI1746

>  <Synonyms> (936)
N/A

>  <Target> (936)
BTK

>  <Form> (936)
Free Base

>  <CAS> (936)
910232-84-7

>  <URL> (936)
htt

$$$$
PF-3758309.cdx
csChFnd80/09262109422D

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260415-63-2

>  <URL> (942)
htt

$$$$
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Rho

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1469337-91-4

>  <URL> (943)
htt

$$$$
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STAT

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1456632-40-8

>  <URL> (944)
htt

$$$$
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htt

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No

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htt

$$$$
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>  <URL> (951)
htt

$$$$
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    1.3828    1.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6018    0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 15 19  1  0  0  0  0
 20 16  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 25 26  1  1  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 27  1  0  0  0  0
M  END
>  <Mol_ID> (952)
952

>  <Formula> (952)
C17H20ClF4N7O

>  <MolWeight> (952)
449.8336128

>  <Cat> (952)
S7368

>  <Name> (952)
GNE-9605

>  <Synonyms> (952)
N/A

>  <Target> (952)
LRRK2

>  <Form> (952)
Free Base

>  <CAS> (952)
1536200-31-3

>  <URL> (952)
htt

$$$$
filgotinib.cdx
csChFnd80/09262109422D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 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
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 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> (953)
953

>  <Formula> (953)
C21H23N5O3S

>  <MolWeight> (953)
425.50402

>  <Cat> (953)
S7605

>  <Name> (953)
Filgotinib£¨

>  <Synonyms> (953)
N/A

>  <Target> (953)
JAK

>  <Form> (953)
Free Base

>  <CAS> (953)
1206161-97-8

>  <URL> (953)
htt

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/09262109422D

 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
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    0.0000    1.4000    0.0000 I   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
   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> (954)
954

>  <Formula> (954)
C15H17ClIN3O3

>  <MolWeight> (954)
449.67125

>  <Cat> (954)
S7331

>  <Name> (954)
K-Ras(G12C) 

>  <Synonyms> (954)
N/A

>  <Target> (954)
Rho

>  <Form> (954)
Free Base

>  <CAS> (954)
1469337-95-8

>  <URL> (954)
htt

$$$$
Anacardic Acid.cdx
csChFnd80/09262109422D

 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
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  1  2  2  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (955)
955

>  <Formula> (955)
C22H36O3

>  <MolWeight> (955)
348.51944

>  <Cat> (955)
S7582

>  <Name> (955)
Anacardic Ac

>  <Synonyms> (955)
6-p

>  <Target> (955)
Histone Acetyltransferase

>  <Form> (955)
Free Base

>  <CAS> (955)
16611-84-0

>  <URL> (955)
htt

$$$$
GNF5837.cdx
csChFnd80/09262109422D

 39 43  0  0  0  0  0  0  0  0999 V2000
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htt

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htt

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htt

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1229582-33-5

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htt

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htt

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FAK

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1061353-68-1

>  <URL> (977)
htt

$$$$
Defactinib.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (978)
978

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C20H21F3N8O3S

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Defactinib (

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VS-

>  <Target> (978)
FAK

>  <Form> (978)
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>  <CAS> (978)
1073154-85-4

>  <URL> (978)
htt

$$$$
GSK2578215A.cdx
csChFnd80/09262109422D

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>  <Target> (979)
LRRK2

>  <Form> (979)
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1285515-21-0

>  <URL> (979)
htt

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/09262109422D

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>  <Mol_ID> (980)
980

>  <Formula> (980)
C23H21Cl2FN4O3

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>  <Name> (980)
Poziotinib (

>  <Synonyms> (980)
NOV

>  <Target> (980)
EGFR

>  <Form> (980)
Free Base

>  <CAS> (980)
1092364-38-9

>  <URL> (980)
htt

$$$$
LY2584702.cdx
csChFnd80/09262109422D

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htt

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PI3K

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Free Base

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955977-50-1

>  <URL> (982)
htt

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/09262109422D

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PLK

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1052532-15-6

>  <URL> (983)
htt

$$$$
Bikinin.cdx
csChFnd80/09262109422D

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htt

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Salirasib.cdx
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162520-00-5

>  <URL> (985)
htt

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csChFnd80/09262109422D

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htt

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htt

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htt

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htt

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M  END
>  <Mol_ID> (997)
997

>  <Formula> (997)
C22H27FN4O2

>  <MolWeight> (997)
398.4737832

>  <Cat> (997)
S7781

>  <Name> (997)
Sunitinib

>  <Synonyms> (997)
SU1

>  <Target> (997)
PDGFR

>  <Form> (997)
Free Base

>  <CAS> (997)
557795-19-4

>  <URL> (997)
htt

$$$$
Erlotinib free Base.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (998)
998

>  <Formula> (998)
C22H23N3O4

>  <MolWeight> (998)
393.43572

>  <Cat> (998)
S7786

>  <Name> (998)
Erlotinib

>  <Synonyms> (998)
CP3

>  <Target> (998)
EGFR

>  <Form> (998)
Free Base

>  <CAS> (998)
183321-74-6

>  <URL> (998)
htt

$$$$
CL-387785.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (999)
999

>  <Formula> (999)
C18H13BrN4O

>  <MolWeight> (999)
381.22602

>  <Cat> (999)
S7557

>  <Name> (999)
CL-387785 (E

>  <Synonyms> (999)
N/A

>  <Target> (999)
EGFR

>  <Form> (999)
Free Base

>  <CAS> (999)
194423-06-8

>  <URL> (999)
htt

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (1,000)
1000

>  <Formula> (1,000)
C24H30ClN7O2

>  <MolWeight> (1,000)
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>  <Cat> (1,000)
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>  <Name> (1,000)
PD 0332991 (

>  <Synonyms> (1,000)
N/A

>  <Target> (1,000)
CDK

>  <Form> (1,000)
Hydrochlo

>  <CAS> (1,000)
827022-32-2,

>  <URL> (1,000)
htt

$$$$
PF-00080665.cdx
csChFnd80/09262109422D

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M  END
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N/A

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Free Base

>  <CAS> (1,009)
1627503-67-6

>  <URL> (1,009)
htt

$$$$
Purvalanol A.cdx
csChFnd80/09262109422D

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1010

>  <Formula> (1,010)
C19H25ClN6O

>  <MolWeight> (1,010)
388.8944

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S7793

>  <Name> (1,010)
Purvalanol A

>  <Synonyms> (1,010)
N/A

>  <Target> (1,010)
CDK

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Free Base

>  <CAS> (1,010)
212844-53-6

>  <URL> (1,010)
htt

$$$$
AZD2932.cdx
csChFnd80/09262109422D

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1011

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PDGFR

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883986-34-3

>  <URL> (1,011)
htt

$$$$
Anisomycin.cdx
csChFnd80/09262109422D

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>  <MolWeight> (1,012)
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Fla

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JNK

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Free Base

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22862-76-6

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htt

$$$$
MHY1485.cdx
csChFnd80/09262109422D

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mTOR

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Free Base

>  <CAS> (1,013)
326914-06-1

>  <URL> (1,013)
htt

$$$$
ERK5-IN-1.cdx
csChFnd80/09262109422D

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htt

$$$$
AT7519 HCl.cdx
csChFnd80/09262109422D

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CDK

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Hydrochlo

>  <CAS> (1,018)
902135-91-5

>  <URL> (1,018)
htt

$$$$
ARRY-614.cdx
csChFnd80/09262109422D

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p38 MAPK

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Free Base

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945614-12-0

>  <URL> (1,019)
htt

$$$$
LY3009120.cdx
csChFnd80/09262109422D

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>  <Synonyms> (1,020)
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Raf

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>  <CAS> (1,020)
1454682-72-4

>  <URL> (1,020)
htt

$$$$
HTH-01-015.cdx
csChFnd80/09262109422D

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htt

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htt

$$$$
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htt

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htt

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M  END
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1061

>  <Formula> (1,061)
C42H88N14O36S3

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Dihydrostrep

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N/A

>  <Target> (1,061)
Antifection

>  <Form> (1,061)
1.5Sulfat

>  <CAS> (1,061)
5490-27-7

>  <URL> (1,061)
htt

$$$$
MRT68921.cdx
csChFnd80/09262109422D

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xHCl
M  END
>  <Mol_ID> (1,062)
1062

>  <Formula> (1,062)
C26H36N6O2R

>  <MolWeight> (1,062)
464.60304

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>  <Name> (1,062)
MRT67307 HCl

>  <Synonyms> (1,062)
N/A

>  <Target> (1,062)
I¦ÊB/IKK

>  <Form> (1,062)
hydrochlo

>  <CAS> (1,062)
1190378-57-4

>  <URL> (1,062)
htt

$$$$
MRT67307.cdx
csChFnd80/09262109422D

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XHCl
M  END
>  <Mol_ID> (1,063)
1063

>  <Formula> (1,063)
C25H34N6OR

>  <MolWeight> (1,063)
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>  <Cat> (1,063)
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>  <Name> (1,063)
MRT68921 HCl

>  <Synonyms> (1,063)
N/A

>  <Target> (1,063)
Autophagy

>  <Form> (1,063)
hydrochlo

>  <CAS> (1,063)
1190379-70-4

>  <URL> (1,063)
htt

$$$$
BI-78D3.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,069)
1069

>  <Formula> (1,069)
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>  <MolWeight> (1,069)
319.31082

>  <Cat> (1,069)
S8289

>  <Name> (1,069)
NQDI-1

>  <Synonyms> (1,069)
N/A

>  <Target> (1,069)
Caspase

>  <Form> (1,069)
Free Base

>  <CAS> (1,069)
175026-96-7

>  <URL> (1,069)
htt

$$$$
Kobe0065.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,070)
1070

>  <Formula> (1,070)
C15H11ClF3N5O4S

>  <MolWeight> (1,070)
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>  <Cat> (1,070)
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>  <Name> (1,070)
Kobe0065

>  <Synonyms> (1,070)
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>  <Target> (1,070)
Rho

>  <Form> (1,070)
Free Base

>  <CAS> (1,070)
436133-68-5

>  <URL> (1,070)
htt

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,071)
1071

>  <Formula> (1,071)
C26H26N6O2S

>  <MolWeight> (1,071)
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>  <Cat> (1,071)
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>  <Name> (1,071)
Olmutinib (H

>  <Synonyms> (1,071)
BI 

>  <Target> (1,071)
EGFR

>  <Form> (1,071)
Free Base

>  <CAS> (1,071)
1353550-13-6

>  <URL> (1,071)
htt

$$$$
5-Iodotubercidin.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,072)
1072

>  <Formula> (1,072)
C11H13IN4O4

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>  <Synonyms> (1,072)
NSC

>  <Target> (1,072)
Adenosine Receptor

>  <Form> (1,072)
Free Base

>  <CAS> (1,072)
24386-93-4

>  <URL> (1,072)
htt

$$$$
S4690 Vitamin E.cdx
csChFnd80/09262109422D

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>  <Synonyms> (1,078)
N/A

>  <Target> (1,078)
Caspase

>  <Form> (1,078)
Free Base

>  <CAS> (1,078)
1448428-04-3

>  <URL> (1,078)
htt

$$$$
LY333531.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (1,079)
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>  <Formula> (1,079)
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>  <Cat> (1,079)
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>  <Name> (1,079)
LY333531 HCl

>  <Synonyms> (1,079)
Rub

>  <Target> (1,079)
PKC

>  <Form> (1,079)
hydrochlo

>  <CAS> (1,079)
169939-93-9

>  <URL> (1,079)
htt

$$$$
FRAX486.cdx
csChFnd80/09262109422D

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>  <Name> (1,080)
FRAX486

>  <Synonyms> (1,080)
N/A

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PAK

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>  <CAS> (1,080)
1232030-35-1

>  <URL> (1,080)
htt

$$$$
VO-Ohpic.cdx
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>  <Mol_ID> (1,081)
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>  <Formula> (1,081)
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>  <Cat> (1,081)
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>  <Name> (1,081)
VO-Ohpic tri

>  <Synonyms> (1,081)
N/A

>  <Target> (1,081)
Others

>  <Form> (1,081)
trihydrat

>  <CAS> (1,081)
476310-60-8

>  <URL> (1,081)
htt

$$$$
EAI045.cdx
csChFnd80/09262109422D

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>  <Synonyms> (1,107)
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ACK

>  <Form> (1,107)
Free Base

>  <CAS> (1,107)
1345098-78-3

>  <URL> (1,107)
htt

$$$$
XMD8-87.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (1,108)
1108

>  <Formula> (1,108)
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>  <Name> (1,108)
XMD8-87

>  <Synonyms> (1,108)
N/A

>  <Target> (1,108)
ACK

>  <Form> (1,108)
Free Base

>  <CAS> (1,108)
1234480-46-6

>  <URL> (1,108)
htt

$$$$
JNJ-42756493 (Erdafitinib).cdx
csChFnd80/09262109422D

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>  <Mol_ID> (1,109)
1109

>  <Formula> (1,109)
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>  <MolWeight> (1,109)
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>  <Cat> (1,109)
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>  <Name> (1,109)
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>  <Synonyms> (1,109)
N/A

>  <Target> (1,109)
FGFR

>  <Form> (1,109)
Free Base

>  <CAS> (1,109)
1346242-81-6

>  <URL> (1,109)
htt

$$$$
Y-39983 HCl.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (1,110)
1110

>  <Formula> (1,110)
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>  <MolWeight> (1,110)
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>  <Cat> (1,110)
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>  <Name> (1,110)
Y-39983 HCl

>  <Synonyms> (1,110)
Y-3

>  <Target> (1,110)
ROCK

>  <Form> (1,110)
dihydroch

>  <CAS> (1,110)
173897-44-4

>  <URL> (1,110)
htt

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/09262109422D

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PI3K

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Free Base

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1254036-71-9

>  <URL> (1,115)
htt

$$$$
S4740 Ferulic acid (sodium).cdx
csChFnd80/09262109422D

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Fer

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Thrombin

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Sodium sa

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24276-84-4

>  <URL> (1,116)
htt

$$$$
S49076.cdx
csChFnd80/09262109422D

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1117

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C22H22N4O4S

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438.49948

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S8404

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>  <Synonyms> (1,117)
N/A

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c-Met  & FGFR

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Free Base

>  <CAS> (1,117)
1265965-22-7

>  <URL> (1,117)
htt

$$$$
GSK583.cdx
csChFnd80/09262109422D

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Free Base

>  <CAS> (1,118)
1346547-00-9

>  <URL> (1,118)
htt

$$$$
ARQ 092.cdx
csChFnd80/09262109422D

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>  <Synonyms> (1,119)
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>  <Target> (1,119)
Akt

>  <Form> (1,119)
hydrochlo

>  <CAS> (1,119)
1313883-00-9

>  <URL> (1,119)
htt

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/09262109422D

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htt

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htt

$$$$
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csChFnd80/09262109422D

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1338540-63-8

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htt

$$$$
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htt

$$$$
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csChFnd80/09262109422D

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htt

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htt

$$$$
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>  <URL> (1,138)
htt

$$$$
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$$$$
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csChFnd80/09262109422D

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TAK-117 (INK-1117,MLN-1117 ).cdx
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csChFnd80/09262109422D

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$$$$
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csChFnd80/09262109422D

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$$$$
Autophinib.cdx
csChFnd80/09262109422D

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htt

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htt

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htt

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$$$$
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htt

$$$$
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1467057-23-3

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htt

$$$$
CCG-203971.cdx
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PKM2

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free base

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94164-88-2

>  <URL> (1,179)
htt

$$$$
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1093119-54-0

>  <URL> (1,180)
htt

$$$$
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M  END
>  <Mol_ID> (1,189)
1189

>  <Formula> (1,189)
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>  <MolWeight> (1,189)
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>  <Name> (1,189)
Creatine pho

>  <Synonyms> (1,189)
Pho

>  <Target> (1,189)
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disodium 

>  <CAS> (1,189)
922-32-7

>  <URL> (1,189)
htt

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,190)
1190

>  <Formula> (1,190)
C6H6Na3O9P

>  <MolWeight> (1,190)
322.049511

>  <Cat> (1,190)
S5115

>  <Name> (1,190)
Sodium L-asc

>  <Synonyms> (1,190)
Sod

>  <Target> (1,190)
Others

>  <Form> (1,190)
sodium sa

>  <CAS> (1,190)
66170-10-3

>  <URL> (1,190)
htt

$$$$
PF-06651600.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,191)
1191

>  <Formula> (1,191)
C15H19N5O

>  <MolWeight> (1,191)
285.34426

>  <Cat> (1,191)
S8538

>  <Name> (1,191)
PF-06651600

>  <Synonyms> (1,191)
N/A

>  <Target> (1,191)
JAK3 

>  <Form> (1,191)
free base

>  <CAS> (1,191)
1792180-81-4

>  <URL> (1,191)
htt

$$$$
2-D08.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,192)
1192

>  <Formula> (1,192)
C15H10O5

>  <MolWeight> (1,192)
270.2369

>  <Cat> (1,192)
S8696

>  <Name> (1,192)
2-D08
2-D08

>  <Synonyms> (1,192)
2',

>  <Target> (1,192)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (1,192)
free base

>  <CAS> (1,192)
144707-18-6

>  <URL> (1,192)
htt

$$$$
S5045 Nomilin.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (1,193)
1193

>  <Formula> (1,193)
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>  <MolWeight> (1,193)
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>  <Cat> (1,193)
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>  <Name> (1,193)
Nomilin

>  <Synonyms> (1,193)
N/A

>  <Target> (1,193)
Others

>  <Form> (1,193)
free base

>  <CAS> (1,193)
1063-77-0

>  <URL> (1,193)
htt

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/09262109422D

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htt

$$$$
Asciminib(ABL001).cdx
csChFnd80/09262109422D

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htt

$$$$
S5060 Metadoxine.cdx
csChFnd80/09262109422D

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salt

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74536-44-0

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htt

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/09262109422D

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18422-05-4

>  <URL> (1,207)
htt

$$$$
S5321 Y15.cdx
csChFnd80/09262109422D

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4506-66-5

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htt

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>  <URL> (1,209)
htt

$$$$
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htt

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>  <Target> (1,211)
ATM/ATR

>  <Form> (1,211)
free base

>  <CAS> (1,211)
2089288-03-7

>  <URL> (1,211)
htt

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (1,212)
1212

>  <Formula> (1,212)
C22H25Cl2FN4O3

>  <MolWeight> (1,212)
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>  <Cat> (1,212)
S5098

>  <Name> (1,212)
Gefitinib hy

>  <Synonyms> (1,212)
ZD1

>  <Target> (1,212)
EGFR

>  <Form> (1,212)
hydrochlo

>  <CAS> (1,212)
184475-55-6

>  <URL> (1,212)
htt

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (1,213)
1213

>  <Formula> (1,213)
C23H26ClN

>  <MolWeight> (1,213)
351.91224

>  <Cat> (1,213)
S5279

>  <Name> (1,213)
Fendiline hy

>  <Synonyms> (1,213)
N/A

>  <Target> (1,213)
Calcium Channel,Ras

>  <Form> (1,213)
hydrochlo

>  <CAS> (1,213)
13636-18-5

>  <URL> (1,213)
htt

$$$$
GSK'963.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (1,214)
1214

>  <Formula> (1,214)
C14H18N2O

>  <MolWeight> (1,214)
230.30552

>  <Cat> (1,214)
S8642

>  <Name> (1,214)
GSK'963

>  <Synonyms> (1,214)
N/A

>  <Target> (1,214)
NF-¦ÊB,TNF-alpha

>  <Form> (1,214)
free base

>  <CAS> (1,214)
2049868-46-2

>  <URL> (1,214)
htt

$$$$
bpV (HOpic).cdx
csChFnd80/09262109422D

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>  <Mol_ID> (1,215)
1215

>  <Formula> (1,215)
C6H4K2NO8V

>  <MolWeight> (1,215)
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>  <Cat> (1,215)
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>  <Name> (1,215)
bpV (HOpic)

>  <Synonyms> (1,215)
Bis

>  <Target> (1,215)
PTEN

>  <Form> (1,215)
potassium

>  <CAS> (1,215)
722494-26-0

>  <URL> (1,215)
htt

$$$$
Anlotinib (AL3818).cdx
csChFnd80/09262109422D

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htt

$$$$
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 1225278-16-

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htt

$$$$
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95975-55-6

>  <URL> (1,218)
htt

$$$$
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>  <URL> (1,219)
htt

$$$$
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M  END
>  <Mol_ID> (1,220)
1220

>  <Formula> (1,220)
C24H24F3N5O5S3

>  <MolWeight> (1,220)
615.6680696

>  <Cat> (1,220)
S5069

>  <Name> (1,220)
Dabrafenib M

>  <Synonyms> (1,220)
GSK

>  <Target> (1,220)
Raf

>  <Form> (1,220)
mesylate

>  <CAS> (1,220)
1195768-06-9

>  <URL> (1,220)
htt

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,221)
1221

>  <Formula> (1,221)
C33H39N5O7S

>  <MolWeight> (1,221)
649.75706

>  <Cat> (1,221)
S5234

>  <Name> (1,221)
Nintedanib E

>  <Synonyms> (1,221)
Int

>  <Target> (1,221)
VEGFR,FGFR,PDGFR

>  <Form> (1,221)
ethanesul

>  <CAS> (1,221)
656247-18-6

>  <URL> (1,221)
htt

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/09262109422D

 41 44  0  0  0  0  0  0  0  0999 V2000
   10.8290    3.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,222)
1222

>  <Formula> (1,222)
C29H31FN4O7

>  <MolWeight> (1,222)
566.5774432

>  <Cat> (1,222)
S5242

>  <Name> (1,222)
Cediranib Ma

>  <Synonyms> (1,222)
AZD

>  <Target> (1,222)
VEGFR

>  <Form> (1,222)
maleate

>  <CAS> (1,222)
 857036-77-2

>  <URL> (1,222)
htt

$$$$
S5383 Erucic acid.cdx
csChFnd80/09262109422D

 24 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,223)
1223

>  <Formula> (1,223)
C22H42O2

>  <MolWeight> (1,223)
338.56768

>  <Cat> (1,223)
S5383

>  <Name> (1,223)
Erucic acid

>  <Synonyms> (1,223)
cis

>  <Target> (1,223)
Others

>  <Form> (1,223)
free base

>  <CAS> (1,223)
112-86-7

>  <URL> (1,223)
htt

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,224)
1224

>  <Formula> (1,224)
C3H3BrO3

>  <MolWeight> (1,224)
166.95812

>  <Cat> (1,224)
S5426

>  <Name> (1,224)
Bromopyruvic

>  <Synonyms> (1,224)
3-B

>  <Target> (1,224)
Others

>  <Form> (1,224)
free base

>  <CAS> (1,224)
1113-59-3

>  <URL> (1,224)
htt

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/09262109422D

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  1  2  2  0  0  0  0
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  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,225)
1225

>  <Formula> (1,225)
C8H6BrN

>  <MolWeight> (1,225)
196.04394

>  <Cat> (1,225)
S5439

>  <Name> (1,225)
5-Bromoindol

>  <Synonyms> (1,225)
N/A

>  <Target> (1,225)
GSK-3

>  <Form> (1,225)
free base

>  <CAS> (1,225)
10075-50-0

>  <URL> (1,225)
htt

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/09262109422D

 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
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  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> (1,226)
1226

>  <Formula> (1,226)
C11H12O4

>  <MolWeight> (1,226)
208.21058

>  <Cat> (1,226)
S5451

>  <Name> (1,226)
Ferulic acid

>  <Synonyms> (1,226)
Met

>  <Target> (1,226)
Immunology & Inflammation related

>  <Form> (1,226)
free base

>  <CAS> (1,226)
149567

>  <URL> (1,226)
htt

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/09262109422D

 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
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    4.3157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8525    3.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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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
  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> (1,227)
1227

>  <Formula> (1,227)
C20H14ClNO4

>  <MolWeight> (1,227)
367.78246

>  <Cat> (1,227)
S5452

>  <Name> (1,227)
Sanguinarine

>  <Synonyms> (1,227)
N/A

>  <Target> (1,227)
phosphatase

>  <Form> (1,227)
chloride 

>  <CAS> (1,227)
5578-73-4

>  <URL> (1,227)
htt

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/09262109422D

 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
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    6.0491    4.1881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.8920    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   19.3735    6.1992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   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
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    2.4269    6.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5613    4.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8851    1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3074    5.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
 27 31  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
  4  7  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
  1  2  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
 31 36  1  0  0  0  0
 32 33  1  0  0  0  0
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 13 37  1  1  0  0  0
 16 20  1  0  0  0  0
  6 38  1  1  0  0  0
 19 17  1  0  0  0  0
  2 39  1  1  0  0  0
 17 18  1  0  0  0  0
  1 40  1  6  0  0  0
 19 20  1  0  0  0  0
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  1  6  1  0  0  0  0
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  9 43  1  6  0  0  0
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 10 44  1  6  0  0  0
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 19 51  1  1  0  0  0
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 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (1,228)
1228

>  <Formula> (1,228)
C42H68O13

>  <MolWeight> (1,228)
780.98152

>  <Cat> (1,228)
S5454

>  <Name> (1,228)
Saikosaponin

>  <Synonyms> (1,228)
N/A

>  <Target> (1,228)
ATPase

>  <Form> (1,228)
free base

>  <CAS> (1,228)
20874-52-6

>  <URL> (1,228)
htt

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/09262109422D

 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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Anti-infection

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free base

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20784-50-3

>  <URL> (1,229)
htt

$$$$
S5457 Curculigoside.cdx
csChFnd80/09262109422D

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Cur

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Immunology & Inflammation related

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free base

>  <CAS> (1,230)
85643-19-2

>  <URL> (1,230)
htt

$$$$
S5458 Verbascoside.cdx
csChFnd80/09262109422D

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Verbascoside

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Act

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Immunology & Inflammation related

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free base

>  <CAS> (1,231)
61276-17-3

>  <URL> (1,231)
htt

$$$$
S5464 Psoralidin.cdx
csChFnd80/09262109422D

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>  <Cat> (1,232)
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>  <Name> (1,232)
Psoralidin

>  <Synonyms> (1,232)
N/A

>  <Target> (1,232)
Estrogen/progestogen Receptor

>  <Form> (1,232)
free base

>  <CAS> (1,232)
18642-23-4

>  <URL> (1,232)
htt

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/09262109422D

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M  END
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1233

>  <Formula> (1,233)
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>  <MolWeight> (1,233)
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>  <Cat> (1,233)
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>  <Name> (1,233)
Kaempferol-3

>  <Synonyms> (1,233)
Kae

>  <Target> (1,233)
Others

>  <Form> (1,233)
salt

>  <CAS> (1,233)
40437-72-7

>  <URL> (1,233)
htt

$$$$
S5516 Ellagic Acid, Dihydrate.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,234)
1234

>  <Formula> (1,234)
C14H8O9

>  <MolWeight> (1,234)
320.20792

>  <Cat> (1,234)
S5516

>  <Name> (1,234)
Ellagic Acid

>  <Synonyms> (1,234)
N/A

>  <Target> (1,234)
Casein Kinase

>  <Form> (1,234)
monohydra

>  <CAS> (1,234)
 314041-08-2

>  <URL> (1,234)
htt

$$$$
S5529 Galangin.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,235)
1235

>  <Formula> (1,235)
C15H10O5

>  <MolWeight> (1,235)
270.2369

>  <Cat> (1,235)
S5529

>  <Name> (1,235)
Galangin

>  <Synonyms> (1,235)
3,5

>  <Target> (1,235)
P450 (e.g. CYP17)

>  <Form> (1,235)
free base

>  <CAS> (1,235)
548-83-4

>  <URL> (1,235)
htt

$$$$
S5534 Cinchocaine.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,236)
1236

>  <Formula> (1,236)
C20H29N3O2

>  <MolWeight> (1,236)
343.46316

>  <Cat> (1,236)
S5534

>  <Name> (1,236)
Cinchocaine

>  <Synonyms> (1,236)
Dib

>  <Target> (1,236)
Others

>  <Form> (1,236)
free base

>  <CAS> (1,236)
85-79-0

>  <URL> (1,236)
htt

$$$$
S5545 DL-Serine.cdx
csChFnd80/09262109422D

  7  6  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,237)
1237

>  <Formula> (1,237)
C3H7NO3

>  <MolWeight> (1,237)
105.09258

>  <Cat> (1,237)
S5545

>  <Name> (1,237)
DL-Serine

>  <Synonyms> (1,237)
N/A

>  <Target> (1,237)
PKM

>  <CAS> (1,237)
302-84-1

>  <URL> (1,237)
htt

$$$$
S5554 Lanatoside C.cdx
csChFnd80/09262109422D

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Nilotinib hy

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AMN

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Bcr-Abl

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hydrochlo

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923288-95-3

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htt

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/09262109422D

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lenvatinib M

>  <Synonyms> (1,243)
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VEGFR

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>  <CAS> (1,243)
 857890-39-2

>  <URL> (1,243)
htt

$$$$
S5265 TBB.cdx
csChFnd80/09262109422D

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Casein Kinase

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17374-26-4

>  <URL> (1,244)
htt

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/09262109422D

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PDGFR¦Â

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phosphate

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874819-74-6

>  <URL> (1,245)
htt

$$$$
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>  <Target> (1,246)
BTK

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free base

>  <CAS> (1,246)
2095393-15-8

>  <URL> (1,246)
htt

$$$$
S5542 7-Nitroindazole.cdx
csChFnd80/09262109422D

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N/A

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neuronal?nitric oxide synthase

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free base

>  <CAS> (1,247)
2942-42-9

>  <URL> (1,247)
htt

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/09262109422D

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>  <Formula> (1,248)
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Lazertinib (

>  <Form> (1,248)
free base

>  <CAS> (1,248)
1903008-80-9

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/09262109422D

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1249

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C9H10O5

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Ethyl gallat

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N/A

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NF-¦ÊB

>  <CAS> (1,249)
831-61-8

>  <URL> (1,249)
htt

$$$$
S9361 Coumarin-3-carboxylic acid.cdx
csChFnd80/09262109422D

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>  <Formula> (1,250)
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>  <MolWeight> (1,250)
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>  <Cat> (1,250)
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free base

>  <CAS> (1,250)
531-81-7

$$$$
S9366 5'-Adenylic acid.cdx
csChFnd80/09262109422D

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S9366

>  <Name> (1,251)
5'-Adenylic 

>  <Form> (1,251)
free base

>  <CAS> (1,251)
61-19-8

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/09262109422D

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M  END
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>  <Cat> (1,252)
S9374

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2',5'-Dihydr

>  <CAS> (1,252)
490-78-8

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,253)
1253

>  <Formula> (1,253)
C15H24N2O2

>  <MolWeight> (1,253)
264.36326

>  <Cat> (1,253)
S9384

>  <Name> (1,253)
Sophocarpine

>  <Form> (1,253)
free base

>  <CAS> (1,253)
 145572-44-7

$$$$
S9393 (4S)-4-Hydroxy-L-isoleucine.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,254)
1254

>  <Formula> (1,254)
C6H13NO3

>  <MolWeight> (1,254)
147.17232

>  <Cat> (1,254)
S9393

>  <Name> (1,254)
(4S)-4-Hydro

>  <Form> (1,254)
free base

>  <CAS> (1,254)
55399-93-4

$$$$
S9406 Sauchinone.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (1,255)
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>  <Formula> (1,255)
C20H20O6

>  <MolWeight> (1,255)
356.3692

>  <Cat> (1,255)
S9406

>  <Name> (1,255)
Sauchinone

>  <CAS> (1,255)
177931-17-8

$$$$
S9414 Cyasterone.cdx
csChFnd80/09262109422D

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>  <Mol_ID> (1,256)
1256

>  <Formula> (1,256)
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>  <MolWeight> (1,256)
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>  <Cat> (1,256)
S9414

>  <Name> (1,256)
Cyasterone

>  <Form> (1,256)
free base

>  <CAS> (1,256)
17086-76-9

$$$$
S9417 Homoplantaginin.cdx
csChFnd80/09262109422D

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htt

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csChFnd80/09262109422D

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htt

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csChFnd80/09262109422D

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162359-55-9

$$$$

csChFnd80/09262109422D

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1221186-53-3

>  <URL> (1,265)
htt

$$$$

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>  <CAS> (1,270)
1234356-69-4

>  <URL> (1,270)
htt

$$$$

csChFnd80/09262109422D

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852391-15-2

>  <URL> (1,271)
htt

$$$$

csChFnd80/09262109422D

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AMPK

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Free Base

>  <CAS> (1,272)
1219739-36-2

>  <URL> (1,272)
htt

$$$$

csChFnd80/09262109422D

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>  <Synonyms> (1,273)
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BTK

>  <Form> (1,273)
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>  <CAS> (1,273)
2230724-66-8

>  <URL> (1,273)
htt

$$$$

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>  <Formula> (1,274)
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>  <Synonyms> (1,274)
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ALK

>  <Form> (1,274)
hydrochlo

>  <CAS> (1,274)
864374-00-5

>  <URL> (1,274)
htt

$$$$

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2138861-99-9

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htt

$$$$

csChFnd80/09262109422D

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CDK

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Free Base

>  <CAS> (1,276)
1414943-88-6

>  <URL> (1,276)
htt

$$$$

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ATM/ATR

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Free Base

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No CAS

>  <URL> (1,277)
htt

$$$$

csChFnd80/09262109422D

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N/A

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PI3K

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>  <CAS> (1,278)
1225037-39-7

>  <URL> (1,278)
htt

$$$$

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htt

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FGFR

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Free Base

>  <CAS> (1,283)
1612888-66-0

>  <URL> (1,283)
htt

$$$$

csChFnd80/09262109422D

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>  <Synonyms> (1,284)
N/A

>  <Target> (1,284)
c-Kit

>  <Form> (1,284)
Free Base

>  <CAS> (1,284)
1442472-39-0

>  <URL> (1,284)
htt

$$$$

csChFnd80/09262109422D

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>  <Synonyms> (1,285)
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Free Base

>  <CAS> (1,285)
1807988-47-1

>  <URL> (1,285)
htt

$$$$
S9023 20S-Ginsenoside Rh2.cdx
csChFnd80/09262109422D

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78214-33-2

$$$$
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csChFnd80/09262109422D

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478-61-5

$$$$
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>  <Cat> (1,304)
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>  <CAS> (1,304)
1816598

$$$$
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csChFnd80/09262109422D

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>  <MolWeight> (1,305)
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>  <Cat> (1,305)
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>  <Name> (1,305)
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>  <Form> (1,305)
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>  <CAS> (1,305)
96990-18-0

$$$$
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55481-88-4

$$$$
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free base

>  <CAS> (1,307)
6873-13-8

$$$$
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csChFnd80/09262109422D

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>  <MolWeight> (1,308)
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>  <Cat> (1,308)
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Forsythoside

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free base

>  <CAS> (1,308)
81525-13-5

$$$$
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csChFnd80/09262109422D

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114482-86-9

$$$$

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htt

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S9288 Casticin.cdx
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524-12-9

$$$$
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csChFnd80/09262109422D

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free base

>  <CAS> (1,325)
14197-60-5

$$$$
S9359 Anthraquinone-2-carboxylic Acid.cdx
csChFnd80/09262109422D

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>  <Cat> (1,326)
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Anthraquinon

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117-78-2

$$$$
S9376 Benzylacetone.cdx
csChFnd80/09262109422D

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2550-26-7

$$$$
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csChFnd80/09262109422D

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388082-78-8

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htt

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/09262109422D

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854001-07-3

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htt

$$$$
S5716 Abemaciclib.cdx
csChFnd80/09262109422D

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htt

$$$$
S5667 Fruquintinib.cdx
csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,331)
1331

>  <Formula> (1,331)
C21H19N3O5

>  <MolWeight> (1,331)
393.39266

>  <Cat> (1,331)
S5667

>  <Name> (1,331)
Fruquintinib

>  <Target> (1,331)
VEGFRs

>  <CAS> (1,331)
1194506-26-7

>  <URL> (1,331)
htt

$$$$

csChFnd80/09262109422D

 42 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,332)
1332

>  <Formula> (1,332)
C29H37N7O5S

>  <MolWeight> (1,332)
595.71298

>  <Cat> (1,332)
S5078

>  <Name> (1,332)
Osimertinib 

>  <Synonyms> (1,332)
AZD

>  <Target> (1,332)
EGFR

>  <Form> (1,332)
mesylate

>  <CAS> (1,332)
1421373-66-1

>  <URL> (1,332)
htt

$$$$

csChFnd80/09262109422D

 27 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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 11  8  1  0  0  0  0
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  3  4  1  0  0  0  0
 18 19  2  0  0  0  0
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 19 20  1  0  0  0  0
  9  6  1  0  0  0  0
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 11 12  2  0  0  0  0
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M  END
>  <Mol_ID> (1,333)
1333

>  <Formula> (1,333)
C19H17N4NaO2S

>  <MolWeight> (1,333)
388.41865

>  <Cat> (1,333)
S5502

>  <Name> (1,333)
Ilaprazole s

>  <Synonyms> (1,333)
IY-

>  <Target> (1,333)
Proton Pump

>  <Form> (1,333)
Sodium Sa

>  <CAS> (1,333)
172152-50-0

>  <URL> (1,333)
htt

$$$$

csChFnd80/09262109422D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,334)
1334

>  <Formula> (1,334)
C16H21Cl2N3

>  <MolWeight> (1,334)
326.26404

>  <Cat> (1,334)
S5670

>  <Name> (1,334)
Chloropyrami

>  <Synonyms> (1,334)
Hal

>  <Target> (1,334)
Histamine Receptor

>  <Form> (1,334)
hydrochlo

>  <CAS> (1,334)
6170-42-9

>  <URL> (1,334)
htt

$$$$

csChFnd80/09262109422D

 28 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,335)
1335

>  <Formula> (1,335)
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htt

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htt

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htt

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M  END
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1344

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>  <MolWeight> (1,344)
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>  <Cat> (1,344)
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>  <Synonyms> (1,344)
N/A

>  <Target> (1,344)
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>  <Form> (1,344)
Free Base

>  <CAS> (1,344)
55033-90-4

>  <URL> (1,344)
htt

$$$$

csChFnd80/09262109422D

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 11  1  1  0  0  0  0
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 12  3  2  0  0  0  0
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 20  4  1  0  0  0  0
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 10  6  1  0  0  0  0
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M  END
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1345

>  <Formula> (1,345)
C30H48O5

>  <MolWeight> (1,345)
488.69912

>  <Cat> (1,345)
S9514

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Rotundic aci

>  <Synonyms> (1,345)
Rut

>  <Target> (1,345)
Others

>  <Form> (1,345)
Free Base

>  <CAS> (1,345)
20137-37-5

>  <URL> (1,345)
htt

$$$$

csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
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1346

>  <Formula> (1,346)
C17H16O5

>  <MolWeight> (1,346)
300.30594

>  <Cat> (1,346)
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Farrerol

>  <Synonyms> (1,346)
N/A

>  <Target> (1,346)
Others

>  <Form> (1,346)
Free Base

>  <CAS> (1,346)
24211-30-1

>  <URL> (1,346)
htt

$$$$

csChFnd80/09262109422D

 12 12  0  0  0  0  0  0  0  0999 V2000
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1347

>  <Formula> (1,347)
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162.1852

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>  <Synonyms> (1,347)
N/A

>  <Target> (1,347)
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>  <Form> (1,347)
free base

>  <CAS> (1,347)
103-26-4

>  <URL> (1,347)
htt

$$$$

csChFnd80/09262109422D

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1348

>  <Formula> (1,348)
C7H9N5

>  <MolWeight> (1,348)
163.17986

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S6088

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N,N

>  <Target> (1,348)
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free base

>  <CAS> (1,348)
938-55-6

>  <URL> (1,348)
htt

$$$$

csChFnd80/09262109422D

 13 13  0  0  0  0  0  0  0  0999 V2000
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htt

$$$$

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2248003-60-1

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htt

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htt

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3895-92-9

>  <URL> (1,355)
htt

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872511-34-7

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htt

$$$$

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htt

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csChFnd80/09262109422D

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541550-19-0

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htt

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htt

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M  END
>  <Mol_ID> (1,374)
1374

>  <Formula> (1,374)
C27H29N5O3

>  <MolWeight> (1,374)
471.55086

>  <Cat> (1,374)
S8791

>  <Name> (1,374)
Zanubrutinib

>  <Synonyms> (1,374)
N/A

>  <Target> (1,374)
BTK

>  <Form> (1,374)
Free Base

>  <CAS> (1,374)
1691249-45-2

>  <URL> (1,374)
htt

$$$$

csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,375)
1375

>  <Formula> (1,375)
C22H16F4N4OS

>  <MolWeight> (1,375)
460.4472528

>  <Cat> (1,375)
S8793

>  <Name> (1,375)
ULK-101

>  <Synonyms> (1,375)
N/A

>  <Target> (1,375)
Autophagy

>  <Form> (1,375)
Free Base

>  <CAS> (1,375)
no cas

>  <URL> (1,375)
htt

$$$$

csChFnd80/09262109422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,376)
1376

>  <Formula> (1,376)
C14H14ClFN8

>  <MolWeight> (1,376)
348.7659632

>  <Cat> (1,376)
S2162

>  <Name> (1,376)
AZD1480

>  <Synonyms> (1,376)
N/A

>  <Target> (1,376)
JAK

>  <Form> (1,376)
free base

>  <CAS> (1,376)
935666-88-9

>  <URL> (1,376)
htt

$$$$

csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,377)
1377

>  <Formula> (1,377)
C26H21F3N4O4

>  <MolWeight> (1,377)
510.4645496

>  <Cat> (1,377)
S6412

>  <Name> (1,377)
Altiratinib

>  <Synonyms> (1,377)
DCC

>  <Target> (1,377)
Trk receptor

>  <Form> (1,377)
free base

>  <CAS> (1,377)
1345847-93-9

>  <URL> (1,377)
htt

$$$$

csChFnd80/09262109422D

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271576-80-8

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$$$$

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>  <Mol_ID> (1,388)
1388

>  <Formula> (1,388)
C25H25Cl2FN6O3

>  <MolWeight> (1,388)
547.4088032

>  <Cat> (1,388)
S6505

>  <Name> (1,388)
X-376

>  <Synonyms> (1,388)
N/A

>  <Target> (1,388)
ALK

>  <Form> (1,388)
free base

>  <CAS> (1,388)
1365267-27-1

>  <URL> (1,388)
htt

$$$$

csChFnd80/09262109422D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,389)
1389

>  <Formula> (1,389)
C16H15N3O2

>  <MolWeight> (1,389)
281.3092

>  <Cat> (1,389)
S6506

>  <Name> (1,389)
Compound 401

>  <Synonyms> (1,389)
N/A

>  <Target> (1,389)
DNA-PK

>  <Form> (1,389)
free base

>  <CAS> (1,389)
168425-64-7

>  <URL> (1,389)
htt

$$$$

csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,390)
1390

>  <Formula> (1,390)
C24H28ClN2O7PS

>  <MolWeight> (1,390)
554.980081

>  <Cat> (1,390)
S6507

>  <Name> (1,390)
KN-92 phosph

>  <Synonyms> (1,390)
N/A

>  <Target> (1,390)
Others

>  <Form> (1,390)
phosphate

>  <CAS> (1,390)
1135280-28-2

>  <URL> (1,390)
htt

$$$$

csChFnd80/09262109422D

 32 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,391)
1391

>  <Formula> (1,391)
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>  <MolWeight> (1,391)
450.55324

>  <Cat> (1,391)
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>  <Name> (1,391)
Mitapivat

>  <Synonyms> (1,391)
AG-

>  <Target> (1,391)
PKM

>  <Form> (1,391)
free base

>  <CAS> (1,391)
1260075-17-9

>  <URL> (1,391)
htt

$$$$

csChFnd80/09262109422D

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htt

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htt

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htt

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htt

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htt

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csChFnd80/09262109422D

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htt

$$$$

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htt

$$$$

csChFnd80/09262109422D

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htt

$$$$

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>  <CAS> (1,410)
413599-62-9

>  <URL> (1,410)
htt

$$$$

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free base

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1454585-06-8

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htt

$$$$

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1412

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N/A

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FAK

>  <Form> (1,412)
free base

>  <CAS> (1,412)
1227948-02-8

>  <URL> (1,412)
htt

$$$$

csChFnd80/09262109422D

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free base

>  <CAS> (1,413)
947914-18-3

>  <URL> (1,413)
htt

$$$$

csChFnd80/09262109422D

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>  <Synonyms> (1,414)
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Src

>  <Form> (1,414)
free base

>  <CAS> (1,414)
179248-59-0

>  <URL> (1,414)
htt

$$$$

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$$$$

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$$$$

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>  <URL> (1,418)
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$$$$

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2244904-70-7

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htt

$$$$

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$$$$

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htt

$$$$

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M  END
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1424

>  <Formula> (1,424)
C26H34N8O

>  <MolWeight> (1,424)
474.60116

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S8568

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G1T38

>  <Synonyms> (1,424)
Ler

>  <Target> (1,424)
CDK

>  <Form> (1,424)
free base

>  <CAS> (1,424)
1628256-23-4

>  <URL> (1,424)
htt

$$$$

csChFnd80/09262109422D

 40 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,425)
1425

>  <Formula> (1,425)
C26H29Cl4FN6O3

>  <MolWeight> (1,425)
634.3572632

>  <Cat> (1,425)
S2934

>  <Name> (1,425)
Ensartinib (

>  <Synonyms> (1,425)
N/A

>  <Target> (1,425)
ALK

>  <Form> (1,425)
Dihydroch

>  <CAS> (1,425)
2137030-98-7

>  <URL> (1,425)
htt

$$$$

csChFnd80/09262109422D

 30 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,426)
1426

>  <Formula> (1,426)
C21H16F3N3O3

>  <MolWeight> (1,426)
415.3652496

>  <Cat> (1,426)
S6526

>  <Name> (1,426)
SKLB 610

>  <Synonyms> (1,426)
N/A

>  <Target> (1,426)
VEGFR

>  <Form> (1,426)
Free Base

>  <CAS> (1,426)
1125780-41-7

>  <URL> (1,426)
htt

$$$$

csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,427)
1427

>  <Formula> (1,427)
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>  <MolWeight> (1,427)
374.23184

>  <Cat> (1,427)
S6530

>  <Name> (1,427)
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>  <Synonyms> (1,427)
N/A

>  <Target> (1,427)
Others

>  <Form> (1,427)
Free Base

>  <CAS> (1,427)
229476-53-3

>  <URL> (1,427)
htt

$$$$

csChFnd80/09262109422D

 25 27  0  0  0  0  0  0  0  0999 V2000
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189232-42-6

>  <URL> (1,428)
htt

$$$$

csChFnd80/09262109422D

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LRRK2

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Free Base

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1191911-27-9

>  <URL> (1,429)
htt

$$$$

csChFnd80/09262109422D

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FGFR

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1453208-66-6

>  <URL> (1,430)
htt

$$$$

csChFnd80/09262109422D

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212779-48-1

>  <URL> (1,431)
htt

$$$$

csChFnd80/09262109422D

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108237-91-8

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htt

$$$$

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htt

$$$$

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509093-47-4

>  <URL> (1,435)
htt

$$$$

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htt

$$$$

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Free Base

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1216665-49-4

>  <URL> (1,437)
htt

$$$$

csChFnd80/09262109422D

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htt

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2226517-76-4

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htt

$$$$

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23146-22-7

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htt

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1099644-42-4

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htt

$$$$

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200134-22-1

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htt

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>  <CAS> (1,443)
1874276-76-2

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htt

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330786-25-9

>  <URL> (1,444)
htt

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>  <URL> (1,445)
htt

$$$$

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>  <URL> (1,446)
htt

$$$$

csChFnd80/09262109422D

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950912-80-8

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htt

$$$$

csChFnd80/09262109422D

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JNK

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Free Base

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929007-72-7

>  <URL> (1,448)
htt

$$$$

csChFnd80/09262109422D

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1449

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38136-70-8

>  <URL> (1,449)
htt

$$$$

csChFnd80/09262109422D

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>  <Cat> (1,450)
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>  <Synonyms> (1,450)
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Rho

>  <Form> (1,450)
Free Base

>  <CAS> (1,450)
429653-73-6

>  <URL> (1,450)
htt

$$$$

csChFnd80/09262109422D

 30 34  0  0  0  0  0  0  0  0999 V2000
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>  <URL> (1,451)
htt

$$$$

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1800070-77-2

>  <URL> (1,452)
htt

$$$$

csChFnd80/09262109422D

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>  <CAS> (1,453)
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>  <URL> (1,453)
htt

$$$$

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 25 20  1  0  0  0  0
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 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (1,459)
1459

>  <Formula> (1,459)
C29H34FN5O5

>  <MolWeight> (1,459)
551.6091632

>  <Cat> (1,459)
S8901

>  <Name> (1,459)
DS-6051b

>  <Synonyms> (1,459)
N/A

>  <Target> (1,459)
ROS

>  <Form> (1,459)
Free Base

>  <CAS> (1,459)
1505515-69-4

>  <URL> (1,459)
htt

$$$$

csChFnd80/09262109422D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 23 24  1  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
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 11 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,460)
1460

>  <Formula> (1,460)
C21H25N3O4

>  <MolWeight> (1,460)
383.4409

>  <Cat> (1,460)
S2184

>  <Name> (1,460)
WDR5-0103

>  <Synonyms> (1,460)
WD-

>  <Target> (1,460)
Histone Methyltransferase

>  <Form> (1,460)
Free Base

>  <CAS> (1,460)
890190-22-4

>  <URL> (1,460)
htt

$$$$

csChFnd80/09262109422D

 21 20  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (1,461)
1461

>  <Formula> (1,461)
C18H37NO2

>  <MolWeight> (1,461)
299.49188

>  <Cat> (1,461)
S2210

>  <Name> (1,461)
Sphingosine

>  <Synonyms> (1,461)
2-a

>  <Target> (1,461)
Others

>  <Form> (1,461)
Free Base

>  <CAS> (1,461)
123-78-4

>  <URL> (1,461)
htt

$$$$

csChFnd80/09262109422D

 28 32  0  0  0  0  0  0  0  0999 V2000
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 17 22  2  0  0  0  0
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M  END
>  <Mol_ID> (1,462)
1462

>  <Formula> (1,462)
C23H21N3O2

>  <MolWeight> (1,462)
371.43174

>  <Cat> (1,462)
S2212

>  <Name> (1,462)
AIM-100

>  <Synonyms> (1,462)
N/A

>  <Target> (1,462)
ACK

>  <Form> (1,462)
Free Base

>  <CAS> (1,462)
873305-35-2

>  <URL> (1,462)
htt

$$$$

csChFnd80/09262109422D

 37 41  0  0  0  0  0  0  0  0999 V2000
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334951-90-5

>  <URL> (1,463)
htt

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>  <CAS> (1,464)
1188296-52-7

>  <URL> (1,464)
htt

$$$$

csChFnd80/09262109422D

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VEGFR

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Free Base

>  <CAS> (1,465)
15966-93-5

>  <URL> (1,465)
htt

$$$$

csChFnd80/09262109422D

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>  <Cat> (1,466)
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>  <Synonyms> (1,466)
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Raf

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>  <CAS> (1,466)
1191385-19-9

>  <URL> (1,466)
htt

$$$$

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1922098-69-8

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htt

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1430723-35-5

>  <URL> (1,471)
htt

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1579965-12-0

>  <URL> (1,472)
htt

$$$$

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>  <URL> (1,473)
htt

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M  END
>  <Mol_ID> (1,474)
1474

>  <Formula> (1,474)
C42H66O14

>  <MolWeight> (1,474)
794.96504

>  <Cat> (1,474)
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>  <Name> (1,474)
Chikusetsusa

>  <Synonyms> (1,474)
Cal

>  <Target> (1,474)
Immunology & Inflammation related

>  <Form> (1,474)
Free Base

>  <CAS> (1,474)
51415-02-2

>  <URL> (1,474)
htt

$$$$

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>  <Mol_ID> (1,475)
1475

>  <Formula> (1,475)
C42H72O13

>  <MolWeight> (1,475)
785.01328

>  <Cat> (1,475)
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>  <Name> (1,475)
(20S)Ginseno

>  <Synonyms> (1,475)
N/A

>  <Target> (1,475)
Others

>  <Form> (1,475)
Free Base

>  <CAS> (1,475)
52286-74-5

>  <URL> (1,475)
htt

$$$$

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>  <URL> (1,476)
htt

$$$$

csChFnd80/09262109422D

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>  <Form> (1,477)
Free Base

>  <CAS> (1,477)
63902-38-5

>  <URL> (1,477)
htt

$$$$

csChFnd80/09262109422D

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>  <Form> (1,478)
Free Base

>  <CAS> (1,478)
882663-88-9

>  <URL> (1,478)
htt

$$$$

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htt

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htt

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152121-53-4

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htt

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1361951-15-6

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htt

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csChFnd80/09262109422D

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93718-83-3

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htt

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csChFnd80/09262109422D

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285986-31-4

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htt

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1888305-96-1

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htt

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>  <CAS> (1,492)
139298-40-1

>  <URL> (1,492)
htt

$$$$

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1784751-19-4

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htt

$$$$

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3476-86-6

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htt

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186611-04-1

>  <URL> (1,495)
htt

$$$$

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EGFR

>  <Form> (1,496)
Free Base

>  <CAS> (1,496)
1847461-43-1

>  <URL> (1,496)
htt

$$$$

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>  <Formula> (1,497)
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N/A

>  <Target> (1,497)
PROTAC

>  <Form> (1,497)
Free Base

>  <CAS> (1,497)
no cas

>  <URL> (1,497)
htt

$$$$

csChFnd80/09262109422D

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>  <Name> (1,498)
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>  <Synonyms> (1,498)
N/A

>  <Target> (1,498)
PCSK9

>  <Form> (1,498)
Free Base

>  <CAS> (1,498)
1629166-02-4

>  <URL> (1,498)
htt

$$$$

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M  END
>  <Mol_ID> (1,499)
1499

>  <Formula> (1,499)
C21H18F3N5O

>  <MolWeight> (1,499)
413.3957296

>  <Cat> (1,499)
S0360

>  <Name> (1,499)
EGFR?Inhibit

>  <Synonyms> (1,499)
N/A

>  <Target> (1,499)
EGFR

>  <Form> (1,499)
Free Base

>  <CAS> (1,499)
879127-07-8

>  <URL> (1,499)
htt

$$$$

csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,500)
1500

>  <Formula> (1,500)
C26H34N6O3S

>  <MolWeight> (1,500)
510.65156

>  <Cat> (1,500)
S0391

>  <Name> (1,500)
TG-89

>  <Synonyms> (1,500)
N/A

>  <Target> (1,500)
JAK

>  <Form> (1,500)
Free Base

>  <CAS> (1,500)
936091-56-4

>  <URL> (1,500)
htt

$$$$

csChFnd80/09262109422D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,501)
1501

>  <Formula> (1,501)
C24H28N6O3S

>  <MolWeight> (1,501)
480.58252

>  <Cat> (1,501)
S0487

>  <Name> (1,501)
Sulfatinib

>  <Synonyms> (1,501)
HMP

>  <Target> (1,501)
CSF-1R

>  <Form> (1,501)
Free Base

>  <CAS> (1,501)
1308672-74-3

>  <URL> (1,501)
htt

$$$$

csChFnd80/09262109422D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,502)
1502

>  <Formula> (1,502)
C20H25ClN6O3

>  <MolWeight> (1,502)
432.9039

>  <Cat> (1,502)
S0500

>  <Name> (1,502)
Purvalanol B

>  <Synonyms> (1,502)
NG 

>  <Target> (1,502)
CDK

>  <Form> (1,502)
Free Base

>  <CAS> (1,502)
212844-54-7

>  <URL> (1,502)
htt

$$$$

csChFnd80/09262109422D

 18 20  0  0  0  0  0  0  0  0999 V2000
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100874-08-6

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htt

$$$$

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LIM kinase

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2244678-29-1

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htt

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csChFnd80/09262109422D

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R-10015

>  <Synonyms> (1,505)
N/A

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LIM kinase

>  <Form> (1,505)
Free Base

>  <CAS> (1,505)
2097938-51-5

>  <URL> (1,505)
htt

$$$$

csChFnd80/09262109422D

 32 35  0  0  0  0  0  0  0  0999 V2000
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Free Base

>  <CAS> (1,506)
1013920-15-4

>  <URL> (1,506)
htt

$$$$

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htt

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82-08-6

>  <URL> (1,509)
htt

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>  <URL> (1,510)
htt

$$$$

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htt

$$$$

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2361493-16-3

>  <URL> (1,512)
htt

$$$$

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>  <URL> (1,513)
htt

$$$$

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htt

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csChFnd80/09262109422D

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487.4990864

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Pemigatinib 

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FGFR

>  <Form> (1,518)
free base

>  <CAS> (1,518)
1513857-77-6

>  <URL> (1,518)
htt

$$$$

csChFnd80/09262109422D

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1519

>  <Formula> (1,519)
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431.2870664

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S0185

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BMS-5

>  <Target> (1,519)
LIM kinase

>  <Form> (1,519)
free base

>  <CAS> (1,519)
1338247-35-0

>  <URL> (1,519)
htt

$$$$

csChFnd80/09262109422D

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>  <Mol_ID> (1,520)
1520

>  <Formula> (1,520)
C21H19N3O3

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361.39386

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S0268

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DMX-5084

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MAP4K

>  <Form> (1,520)
free base

>  <CAS> (1,520)
2306178-56-1

>  <URL> (1,520)
htt

$$$$

csChFnd80/09262109422D

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>  <Formula> (1,521)
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>  <Name> (1,521)
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VEGFR

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free base

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1055412-47-9

>  <URL> (1,521)
htt

$$$$

csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,522)
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VEGFR

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free base

>  <CAS> (1,522)
951151-97-6

>  <URL> (1,522)
htt

$$$$

csChFnd80/09262109422D

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M  END
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1523

>  <Formula> (1,523)
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335.4178832

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S0378

>  <Name> (1,523)
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>  <Target> (1,523)
PKG

>  <Form> (1,523)
free base

>  <CAS> (1,523)
188343-77-3

>  <URL> (1,523)
htt

$$$$

csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,524)
1524

>  <Formula> (1,524)
C14H10N4O3S

>  <MolWeight> (1,524)
314.3192

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S0458

>  <Name> (1,524)
KY1220

>  <Target> (1,524)
Wnt/beta-catenin

>  <Form> (1,524)
free base

>  <CAS> (1,524)
292168-79-7

>  <URL> (1,524)
htt

$$$$

csChFnd80/09262109422D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,525)
1525

>  <Formula> (1,525)
C19H11ClN3NaO2

>  <MolWeight> (1,525)
371.75231

>  <Cat> (1,525)
S0707

>  <Name> (1,525)
Silmitaserti

>  <Target> (1,525)
Casein Kinase

>  <Form> (1,525)
sodium

>  <CAS> (1,525)
1309357-15-0

>  <URL> (1,525)
htt

$$$$

csChFnd80/09262109422D

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 10  1  1  0  0  0  0
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M  END
>  <Mol_ID> (1,526)
1526

>  <Formula> (1,526)
C23H40N2O3

>  <MolWeight> (1,526)
392.5753

>  <Cat> (1,526)
S0752

>  <Name> (1,526)
AUDA

>  <Target> (1,526)
Epoxide Hydrolase

>  <Form> (1,526)
free base

>  <CAS> (1,526)
479413-70-2

>  <URL> (1,526)
htt

$$$$

csChFnd80/09262109422D

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htt

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htt

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htt

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465-39-4

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htt

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csChFnd80/09262109422D

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Akt

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htt

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free base

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119425-90-0

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htt

$$$$

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free base

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17650-84-9

>  <URL> (1,539)
htt

$$$$

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ERK

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free base

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94596-28-8

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htt

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csChFnd80/09262109422D

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free base

>  <CAS> (1,542)
32602-81-6

>  <URL> (1,542)
htt

$$$$

csChFnd80/09262109422D

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free base

>  <CAS> (1,543)
33464-71-0

>  <URL> (1,543)
htt

$$$$

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>  <URL> (1,544)
htt

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Falcarindiol

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NOS

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free base

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225110-25-8

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htt

$$$$

csChFnd80/09262109422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
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1546

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S3294

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Demethyl-Coc

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Adrenergic Receptor

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free base

>  <CAS> (1,546)
5843-65-2

>  <URL> (1,546)
htt

$$$$

csChFnd80/09262109422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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1547

>  <Formula> (1,547)
C16H12O6

>  <MolWeight> (1,547)
300.26288

>  <Cat> (1,547)
S3296

>  <Name> (1,547)
Hispidulin

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Pim

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free base

>  <CAS> (1,547)
1447-88-7

>  <URL> (1,547)
htt

$$$$

csChFnd80/09262109422D

 17 19  0  0  0  0  0  0  0  0999 V2000
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>  <MolWeight> (1,548)
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S3298

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Caulophyllin

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AChR

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free base

>  <CAS> (1,548)
486-86-2 (63

>  <URL> (1,548)
htt

$$$$

csChFnd80/09262109422D

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1549

>  <Formula> (1,549)
C19H18NO4+

>  <MolWeight> (1,549)
324.35052

>  <Cat> (1,549)
S3299

>  <Name> (1,549)
Demethyleneb

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Peroxidases

>  <Form> (1,549)
free base

>  <CAS> (1,549)
25459-91-0

>  <URL> (1,549)
htt

$$$$

csChFnd80/09262109422D

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htt

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htt

$$$$

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EGFR

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mesylate

>  <CAS> (1,555)
1869057-83-9

>  <URL> (1,555)
htt

$$$$

csChFnd80/09262109422D

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free base

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1394820-69-9

>  <URL> (1,556)
htt

$$$$

csChFnd80/09262109422D

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565-73-1

>  <URL> (1,557)
htt

$$$$

csChFnd80/09262109422D

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free base

>  <CAS> (1,558)
2095704-43-9

>  <URL> (1,558)
htt

$$$$

csChFnd80/09262109422D

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$$$$

csChFnd80/09262109422D

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free base

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1421693-22-2

>  <URL> (1,560)
htt

$$$$

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free base

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htt

$$$$

csChFnd80/09262109422D

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M  END
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>  <Formula> (1,562)
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free base

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$$$$

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free base

>  <CAS> (1,576)
1787294-07-8

>  <URL> (1,576)
htt

$$$$

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>  <Formula> (1,577)
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>  <Cat> (1,577)
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>  <Form> (1,577)
free base

>  <CAS> (1,577)
1429881-91-3

>  <URL> (1,577)
htt

$$$$

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PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

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Free Base

>  <CAS> (1,580)
62996-74-1

>  <URL> (1,580)
htt

$$$$

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1581

>  <Formula> (1,581)
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>  <MolWeight> (1,581)
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others

>  <Form> (1,581)
Free Base

>  <CAS> (1,581)
13190-97-1

>  <URL> (1,581)
htt

$$$$

csChFnd80/09262109422D

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>  <Mol_ID> (1,582)
1582

>  <Formula> (1,582)
C21H18N2O

>  <MolWeight> (1,582)
314.38042

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S0765

>  <Name> (1,582)
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N/A

>  <Target> (1,582)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (1,582)
Free Base

>  <CAS> (1,582)
163655-37-6

>  <URL> (1,582)
htt

$$$$

csChFnd80/09262109422D

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others

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htt

$$$$

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65497-07-6

>  <URL> (1,584)
htt

$$$$

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>  <Synonyms> (1,585)
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>  <Form> (1,585)
Free Base

>  <CAS> (1,585)
5928-25-6

>  <URL> (1,585)
htt

$$$$

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Platycodin D

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N/A

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Immunology & Inflammation related

>  <Form> (1,586)
Free Base

>  <CAS> (1,586)
58479-68-8

>  <URL> (1,586)
htt

$$$$

csChFnd80/09262109422D

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1587

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382.45284

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N/A

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ERK

>  <Form> (1,587)
Free Base

>  <CAS> (1,587)
630-94-4

>  <URL> (1,587)
htt

$$$$

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>  <Formula> (1,588)
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>  <MolWeight> (1,588)
1034.18812

>  <Cat> (1,588)
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>  <Name> (1,588)
Tomatine

>  <Synonyms> (1,588)
lyc

>  <Target> (1,588)
Anti-infection

>  <Form> (1,588)
Free Base

>  <CAS> (1,588)
17406-45-0

>  <URL> (1,588)
htt

$$$$

csChFnd80/09262109422D

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>  <Mol_ID> (1,589)
1589

>  <Formula> (1,589)
C21H21Cl2N5OS

>  <MolWeight> (1,589)
462.39534

>  <Cat> (1,589)
S0015

>  <Name> (1,589)
WNK-IN-11

>  <Synonyms> (1,589)
N/A

>  <Target> (1,589)
Serine/threonin kinase

>  <Form> (1,589)
Free Base

>  <CAS> (1,589)
2123489-30-3

>  <URL> (1,589)
htt

$$$$

csChFnd80/09262109422D

 39 44  0  0  0  0  0  0  0  0999 V2000
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1590

>  <Formula> (1,590)
C30H37N7O2

>  <MolWeight> (1,590)
527.66048

>  <Cat> (1,590)
S0051

>  <Name> (1,590)
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>  <Synonyms> (1,590)
N/A

>  <Target> (1,590)
SIK

>  <Form> (1,590)
Free Base

>  <CAS> (1,590)
2172617-15-9

>  <URL> (1,590)
htt

$$$$

csChFnd80/09262109422D

 31 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,591)
1591

>  <Formula> (1,591)
C23H21N7O

>  <MolWeight> (1,591)
411.45914

>  <Cat> (1,591)
S0067

>  <Name> (1,591)
GS-444217

>  <Synonyms> (1,591)
ASK

>  <Target> (1,591)
ASK

>  <Form> (1,591)
Free Base

>  <CAS> (1,591)
1262041-49-5

>  <URL> (1,591)
htt

$$$$

csChFnd80/09262109422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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htt

$$$$

csChFnd80/09262109422D

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>  <CAS> (1,593)
189290-58-2

>  <URL> (1,593)
htt

$$$$

csChFnd80/09262109422D

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1594

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N/A

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TGF-beta/Smad

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Free Base

>  <CAS> (1,594)
425613-09-8

>  <URL> (1,594)
htt

$$$$

csChFnd80/09262109422D

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Ephrin receptor

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Free Base

>  <CAS> (1,595)
861249-59-4

>  <URL> (1,595)
htt

$$$$

csChFnd80/09262109422D

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VEGFR. HER2

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186611-11-0

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htt

$$$$

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M  END
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1597

>  <Formula> (1,597)
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>  <MolWeight> (1,597)
246.26186

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Antineoplast

>  <Synonyms> (1,597)
N/A

>  <Target> (1,597)
Ras

>  <Form> (1,597)
Free Base

>  <CAS> (1,597)
91531-30-5

>  <URL> (1,597)
htt

$$$$

csChFnd80/09262109422D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,598)
1598

>  <Formula> (1,598)
C16H11N3O3

>  <MolWeight> (1,598)
293.27684

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S0354

>  <Name> (1,598)
Alsterpaullo

>  <Synonyms> (1,598)
Alp

>  <Target> (1,598)
CDK. GSK-3. apoptosis related. Caspase

>  <Form> (1,598)
Free Base

>  <CAS> (1,598)
237430-03-4

>  <URL> (1,598)
htt

$$$$

csChFnd80/09262109422D

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>  <Mol_ID> (1,599)
1599

>  <Formula> (1,599)
C31H29FN4O5

>  <MolWeight> (1,599)
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>  <Cat> (1,599)
S0361

>  <Name> (1,599)
AMG-1

>  <Synonyms> (1,599)
c-M

>  <Target> (1,599)
c-Met

>  <Form> (1,599)
Free Base

>  <CAS> (1,599)
913376-84-8

>  <URL> (1,599)
htt

$$$$

csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,600)
1600

>  <Formula> (1,600)
C17H16FN5

>  <MolWeight> (1,600)
309.3408432

>  <Cat> (1,600)
S0373

>  <Name> (1,600)
CZC-8004

>  <Synonyms> (1,600)
CZC

>  <Target> (1,600)
Bcr-Abl

>  <Form> (1,600)
Free Base

>  <CAS> (1,600)
916603-07-1

>  <URL> (1,600)
htt

$$$$

csChFnd80/09262109422D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,601)
1601

>  <Formula> (1,601)
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>  <MolWeight> (1,601)
389.23866

>  <Cat> (1,601)
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>  <Name> (1,601)
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>  <Synonyms> (1,601)
CS-

>  <Target> (1,601)
JAK

>  <Form> (1,601)
Free Base

>  <CAS> (1,601)
1258296-60-4

>  <URL> (1,601)
htt

$$$$

csChFnd80/09262109422D

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>  <Mol_ID> (1,602)
1602

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S6K-18

>  <Synonyms> (1,602)
N/A

>  <Target> (1,602)
S6 Kinase

>  <Form> (1,602)
Free Base

>  <CAS> (1,602)
1265789-88-5

>  <URL> (1,602)
htt

$$$$

csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,603)
1603

>  <Formula> (1,603)
C16H10F2N6O

>  <MolWeight> (1,603)
340.2870064

>  <Cat> (1,603)
S0411

>  <Name> (1,603)
BAM 15

>  <Synonyms> (1,603)
N/A

>  <Target> (1,603)
AMPK. apoptosis related

>  <Form> (1,603)
Free Base

>  <CAS> (1,603)
210302-17-3

>  <URL> (1,603)
htt

$$$$

csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,604)
1604

>  <Formula> (1,604)
C22H19N3O2S

>  <MolWeight> (1,604)
389.47016

>  <Cat> (1,604)
S0431

>  <Name> (1,604)
ML281

>  <Synonyms> (1,604)
N/A

>  <Target> (1,604)
Serine/threonin kinase

>  <Form> (1,604)
Free Base

>  <CAS> (1,604)
1404437-62-2

>  <URL> (1,604)
htt

$$$$

csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,605)
1605

>  <Formula> (1,605)
C15H12Cl2N4O

>  <MolWeight> (1,605)
335.18798

>  <Cat> (1,605)
S0454

>  <Name> (1,605)
Adjudin

>  <Synonyms> (1,605)
AF-

>  <Target> (1,605)
Chloride Channel. NF-¦ÊB. ERK

>  <Form> (1,605)
Free Base

>  <CAS> (1,605)
252025-52-8

>  <URL> (1,605)
htt

$$$$

csChFnd80/09262109422D

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>  <Mol_ID> (1,606)
1606

>  <Formula> (1,606)
C22H16N2O2

>  <MolWeight> (1,606)
340.37464

>  <Cat> (1,606)
S0775

>  <Name> (1,606)
IRAK4-IN-4

>  <Synonyms> (1,606)
N/A

>  <Target> (1,606)
IRAK, cGAS

>  <Form> (1,606)
Free Base

>  <CAS> (1,606)
1850276-58-2

>  <URL> (1,606)
htt

$$$$

csChFnd80/09262109422D

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    7.3282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8530    2.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
  3 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 12 13  1  0  0  0  0
  1 12  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,607)
1607

>  <Formula> (1,607)
C16H12ClNO

>  <MolWeight> (1,607)
269.72558

>  <Cat> (1,607)
S0780

>  <Name> (1,607)
Oncrasin-1

>  <Synonyms> (1,607)
N/A

>  <Target> (1,607)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (1,607)
Free Base

>  <CAS> (1,607)
75629-57-1

>  <URL> (1,607)
htt

$$$$

csChFnd80/09262109422D

 26 30  0  0  0  0  0  0  0  0999 V2000
    8.0935    5.3677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9408    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6068    7.7431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7285    1.2462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7442    4.0460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7220    5.0866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2671    1.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    1.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0903    2.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9527    3.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2797    3.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8299    0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5336    2.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    1.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2695    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4861    8.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8773    8.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1583    6.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3 22  2  0  0  0  0
  4  8  2  0  0  0  0
  4 14  1  0  0  0  0
  5 10  2  0  0  0  0
  5 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  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
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,608)
1608

>  <Formula> (1,608)
C20H11N3O3

>  <MolWeight> (1,608)
341.31964

>  <Cat> (1,608)
S0781

>  <Name> (1,608)
IQ 3

>  <Synonyms> (1,608)
N/A

>  <Target> (1,608)
JNK. NF-¦ÊB. TNF-¦Á. IL-6

>  <Form> (1,608)
Free Base

>  <CAS> (1,608)
312538-03-7

>  <URL> (1,608)
htt

$$$$

csChFnd80/09262109422D

 24 26  0  0  0  0  0  0  0  0999 V2000
   13.5967    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4726    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5269    3.8274    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1469    7.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414    5.6630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4083    4.9150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0497    3.5702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2938    5.7278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8015    4.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4991    3.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8992    3.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7991    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6463    6.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2200    4.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5993    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4991    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2083    3.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 24  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  2  0  0  0  0
  5 18  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 17 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> (1,609)
1609

>  <Formula> (1,609)
C16H11Cl2N3O2S

>  <MolWeight> (1,609)
380.24844

>  <Cat> (1,609)
S0795

>  <Name> (1,609)
O-304

>  <Synonyms> (1,609)
O-3

>  <Target> (1,609)
AMPK

>  <Form> (1,609)
Free Base

>  <CAS> (1,609)
1261289-04-6

>  <URL> (1,609)
htt

$$$$

csChFnd80/09262109422D

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3369    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  2  0  0  0  0
  2 17  2  0  0  0  0
  3 18  2  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 16  1  0  0  0  0
  7 19  1  0  0  0  0
  8 17  1  0  0  0  0
  8 20  1  0  0  0  0
  9 18  1  0  0  0  0
  9 21  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 18  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,610)
1610

>  <Formula> (1,610)
C15H21N3O6

>  <MolWeight> (1,610)
339.34374

>  <Cat> (1,610)
S0827

>  <Name> (1,610)
LM22A-4

>  <Synonyms> (1,610)
LM 

>  <Target> (1,610)
Trk receptor

>  <Form> (1,610)
Free Base

>  <CAS> (1,610)
37988-18-4

>  <URL> (1,610)
htt

$$$$

csChFnd80/09262109422D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2195    0.2653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9040    1.5205    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7401    3.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1893    3.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 24  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  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> (1,611)
1611

>  <Formula> (1,611)
C18H13F2NO3

>  <MolWeight> (1,611)
329.2975264

>  <Cat> (1,611)
S0881

>  <Name> (1,611)
Mitochonic a

>  <Synonyms> (1,611)
MA-

>  <Target> (1,611)
Mitophagy. MAPK. ERK. Yap

>  <Form> (1,611)
Free Base

>  <CAS> (1,611)
1354707-41-7

>  <URL> (1,611)
htt

$$$$

csChFnd80/09262109422D

 19 20  0  0  0  0  0  0  0  0999 V2000
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   12.1165    3.5067    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    9.6936    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4831    4.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2691    2.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6936    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4773    1.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0589    4.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4285    2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,616)
1616

>  <Formula> (1,616)
C29H30O13

>  <MolWeight> (1,616)
586.5407

>  <Cat> (1,616)
S1273

>  <Name> (1,616)
Amarogentin

>  <Synonyms> (1,616)
AG

>  <Target> (1,616)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (1,616)
Free Base

>  <CAS> (1,616)
21018-84-8

>  <URL> (1,616)
htt

$$$$

csChFnd80/09262109422D

 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> (1,617)
1617

>  <Formula> (1,617)
C13H8O3

>  <MolWeight> (1,617)
212.20082

>  <Cat> (1,617)
S1321

>  <Name> (1,617)
Urolithin B

>  <Synonyms> (1,617)
N/A

>  <Target> (1,617)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (1,617)
Free Base

>  <CAS> (1,617)
1139-83-9

>  <URL> (1,617)
htt

$$$$

csChFnd80/09262109422D

 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> (1,618)
1618

>  <Formula> (1,618)
C16H12O3

>  <MolWeight> (1,618)
252.26468

>  <Cat> (1,618)
S1323

>  <Name> (1,618)
7-Methoxyiso

>  <Synonyms> (1,618)
MIF

>  <Target> (1,618)
AMPK

>  <Form> (1,618)
Free Base

>  <CAS> (1,618)
1621-56-3

>  <URL> (1,618)
htt

$$$$

csChFnd80/09262109422D

 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> (1,619)
1619

>  <Formula> (1,619)
C5H6Na2O5

>  <MolWeight> (1,619)
192.07768

>  <Cat> (1,619)
S1325

>  <Name> (1,619)
L-2-Hydroxyg

>  <Synonyms> (1,619)
(S)

>  <Target> (1,619)
Histone Demethylase

>  <Form> (1,619)
Disodium

>  <CAS> (1,619)
63512-50-5

>  <URL> (1,619)
htt

$$$$

csChFnd80/09262109422D

 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> (1,620)
1620

>  <Formula> (1,620)
C30H36Br2N4O2

>  <MolWeight> (1,620)
644.44044

>  <Cat> (1,620)
S2942

>  <Name> (1,620)
EB-3D

>  <Synonyms> (1,620)
N/A

>  <Target> (1,620)
Choline kinase. AMPK. Apoptosis related

>  <Form> (1,620)
Free Base

>  <CAS> (1,620)
1839150-63-8

>  <URL> (1,620)
htt

$$$$

csChFnd80/09262109422D

 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> (1,621)
1621

>  <Formula> (1,621)
C13H17Cl2N3O2S

>  <MolWeight> (1,621)
350.26398

>  <Cat> (1,621)
S2964

>  <Name> (1,621)
HA-100 dihyd

>  <Synonyms> (1,621)
N/A

>  <Target> (1,621)
PKG, PKA, PKC, MLCK

>  <Form> (1,621)
Dihydroch

>  <CAS> (1,621)
210297-47-5

>  <URL> (1,621)
htt

$$$$

csChFnd80/09262109422D

 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> (1,622)
1622

>  <Formula> (1,622)
C12H14N2O2

>  <MolWeight> (1,622)
218.25176

>  <Cat> (1,622)
S2985

>  <Name> (1,622)
N-Acetyl-5-h

>  <Synonyms> (1,622)
NAS

>  <Target> (1,622)
Trk receptor

>  <Form> (1,622)
Free Base

>  <CAS> (1,622)
1210-83-9

>  <URL> (1,622)
htt

$$$$

csChFnd80/09262109422D

  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> (1,623)
1623

>  <Formula> (1,623)
C3H4O3

>  <MolWeight> (1,623)
88.06206

>  <Cat> (1,623)
S3143

>  <Name> (1,623)
Pyruvic acid

>  <Synonyms> (1,623)
Ace

>  <Target> (1,623)
LDH. Casein Kinase. ATPase.

>  <Form> (1,623)
Free Base

>  <CAS> (1,623)
127-17-3

>  <URL> (1,623)
htt

$$$$

csChFnd80/09262109422D

 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
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    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4913    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9161    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1286    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3410    9.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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M  END
>  <Mol_ID> (1,624)
1624

>  <Formula> (1,624)
C16H30O2

>  <MolWeight> (1,624)
254.4082

>  <Cat> (1,624)
S3341

>  <Name> (1,624)
Palmitoleic 

>  <Synonyms> (1,624)
POA

>  <Target> (1,624)
AMPK

>  <Form> (1,624)
Free Base

>  <CAS> (1,624)
373-49-9

>  <URL> (1,624)
htt

$$$$

csChFnd80/09262109422D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    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
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,625)
1625

>  <Formula> (1,625)
C7H7NO3

>  <MolWeight> (1,625)
153.13538

>  <Cat> (1,625)
S3355

>  <Name> (1,625)
3-Hydroxyant

>  <Synonyms> (1,625)
3-H

>  <Target> (1,625)
PI3K, Akt, mTOR, NF-¦ÊB

>  <Form> (1,625)
Free Base

>  <CAS> (1,625)
548-93-6

>  <URL> (1,625)
htt

$$$$

csChFnd80/09262109422D

 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
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    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
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    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> (1,626)
1626

>  <Formula> (1,626)
C17H20N6O2S

>  <MolWeight> (1,626)
372.4447

>  <Cat> (1,626)
S6517

>  <Name> (1,626)
GNE-493

>  <Synonyms> (1,626)
N/A

>  <Target> (1,626)
PI3K. mTOR.

>  <Form> (1,626)
Free Base

>  <CAS> (1,626)
1033735-94-2

>  <URL> (1,626)
htt

$$$$

csChFnd80/09262109422D

 35 39  0  0  0  0  0  0  0  0999 V2000
    4.8413   10.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.3878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   10.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    4.1951    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 15 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 15  1  0  0  0  0
 11 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 31 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,627)
1627

>  <Formula> (1,627)
C26H24IN7O

>  <MolWeight> (1,627)
577.41953

>  <Cat> (1,627)
S6912

>  <Name> (1,627)
Vacuolin-1

>  <Synonyms> (1,627)
N/A

>  <Target> (1,627)
PIKfyve. Autophagy

>  <Form> (1,627)
Free Base

>  <CAS> (1,627)
351986-85-1

>  <URL> (1,627)
htt

$$$$

csChFnd80/09262109422D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    1.2124    0.0000    0.0000 F   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    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,628)
1628

>  <Formula> (1,628)
C21H19F2NO3

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S6920

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>  <Synonyms> (1,628)
N/A

>  <Target> (1,628)
Calcium Channel. Sodium Channel. ERK. p38 MA

>  <Form> (1,628)
Free Base

>  <CAS> (1,628)
223104-29-8

>  <URL> (1,628)
htt

$$$$

csChFnd80/09262109422D

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1629

>  <Formula> (1,629)
C22H27ClN4O5

>  <MolWeight> (1,629)
462.92658

>  <Cat> (1,629)
S6921

>  <Name> (1,629)
Dorzagliatin

>  <Synonyms> (1,629)
HMS

>  <Target> (1,629)
Carbohydrate Metabolism

>  <Form> (1,629)
Free Base

>  <CAS> (1,629)
1191995-00-2

>  <URL> (1,629)
htt

$$$$

csChFnd80/09262109422D

  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> (1,630)
1630

>  <Formula> (1,630)
R

>  <Cat> (1,630)
S6955

>  <Name> (1,630)
Insulin (hum

>  <Synonyms> (1,630)
Ins

>  <Target> (1,630)
IGF-1R

>  <Form> (1,630)
Free Base

>  <CAS> (1,630)
11061-68-0

>  <URL> (1,630)
htt

$$$$

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>  <Mol_ID> (1,631)
1631

>  <Formula> (1,631)
C40H52N8O10S2

>  <MolWeight> (1,631)
869.01848

>  <Cat> (1,631)
S8979

>  <Name> (1,631)
THAL-SNS-032

>  <Synonyms> (1,631)
N/A

>  <Target> (1,631)
CDK. PROTAC. E3 Ligase

>  <Form> (1,631)
Free Base

>  <CAS> (1,631)
2139287-33-3

>  <URL> (1,631)
htt

$$$$

csChFnd80/09262109422D

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unknown

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htt

$$$$

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168682-53-9

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htt

$$$$

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>  <CAS> (1,634)
unknown

>  <URL> (1,634)
htt

$$$$

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2160546-07-4

>  <URL> (1,635)
htt

$$$$

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2414572-47-5

>  <URL> (1,640)
htt

$$$$

csChFnd80/09262109422D

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CI-

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EGFR

>  <Form> (1,641)
Dihydroch

>  <CAS> (1,641)
289499-45-2

>  <URL> (1,641)
htt

$$$$

csChFnd80/09262109422D

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Ibr

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CDK

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Free Base

>  <CAS> (1,642)
571190-30-2

>  <URL> (1,642)
htt

$$$$

csChFnd80/09262109422D

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608512-97-6

>  <URL> (1,643)
htt

$$$$

csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,648)
1648

>  <Formula> (1,648)
C21H22F2N6O2

>  <MolWeight> (1,648)
428.4351864

>  <Cat> (1,648)
S5860

>  <Name> (1,648)
Larotrectini

>  <Synonyms> (1,648)
Vit

>  <Target> (1,648)
Trk receptor

>  <Form> (1,648)
Free Base

>  <CAS> (1,648)
1223403-58-4

>  <URL> (1,648)
htt

$$$$

csChFnd80/09262109422D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  7 10  1  0  0  0  0
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 10 14  1  0  0  0  0
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 11 15  1  0  0  0  0
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 21 25  1  0  0  0  0
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M  END
>  <Mol_ID> (1,649)
1649

>  <Formula> (1,649)
C21H19NO5

>  <MolWeight> (1,649)
365.37926

>  <Cat> (1,649)
S0235

>  <Name> (1,649)
Lavendustin 

>  <Synonyms> (1,649)
N/A

>  <Target> (1,649)
Integrase

>  <Form> (1,649)
Free Base

>  <CAS> (1,649)
125697-91-8

>  <URL> (1,649)
htt

$$$$

csChFnd80/09262109422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,650)
1650

>  <Formula> (1,650)
C16H13Cl2N3O2

>  <MolWeight> (1,650)
350.19932

>  <Cat> (1,650)
S0374

>  <Name> (1,650)
GDC046

>  <Synonyms> (1,650)
N/A

>  <Target> (1,650)
JAK

>  <Form> (1,650)
Free Base

>  <CAS> (1,650)
1258292-64-6

>  <URL> (1,650)
htt

$$$$

csChFnd80/09262109422D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 11 13  2  0  0  0  0
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  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> (1,651)
1651

>  <Formula> (1,651)
C19H18FN3O2

>  <MolWeight> (1,651)
339.3635232

>  <Cat> (1,651)
S0995

>  <Name> (1,651)
BioE-1115

>  <Synonyms> (1,651)
N/A

>  <Target> (1,651)
Serine/threonin kinase

>  <Form> (1,651)
Free Base

>  <CAS> (1,651)
1268863-35-9

>  <URL> (1,651)
htt

$$$$

csChFnd80/09262109422D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2 17  2  0  0  0  0
  3 13  1  0  0  0  0
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 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
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  9 10  1  0  0  0  0
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  9 14  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 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
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 20 22  1  0  0  0  0
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 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,652)
1652

>  <Formula> (1,652)
C20H19ClN6O

>  <MolWeight> (1,652)
394.85746

>  <Cat> (1,652)
S8988

>  <Name> (1,652)
Rhosin hydro

>  <Synonyms> (1,652)
G04

>  <Target> (1,652)
Rho

>  <Form> (1,652)
Hydrochlo

>  <CAS> (1,652)
1281870-42-5

>  <URL> (1,652)
htt

$$$$

csChFnd80/09262109422D

 40 43  0  0  0  0  0  0  0  0999 V2000
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htt

$$$$

csChFnd80/09262109422D

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ALK

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1380575-43-8

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htt

$$$$

csChFnd80/09262109422D

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1415560-69-8

>  <URL> (1,655)
htt

$$$$

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AMPK

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657-24-9

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htt

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Free Base

>  <CAS> (1,662)
80573-04-2

>  <URL> (1,662)
htt

$$$$

csChFnd80/09262109422D

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Sti

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VEGFR

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Hydrochlo

>  <CAS> (1,663)
835621-07-3

>  <URL> (1,663)
htt

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JAK

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892686-59-8

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htt

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M  END
>  <Mol_ID> (1,665)
1665

>  <Formula> (1,665)
C23H36FN6Na2O15P

>  <MolWeight> (1,665)
732.5148442

>  <Cat> (1,665)
S4944

>  <Name> (1,665)
Fostamatinib

>  <Synonyms> (1,665)
Tav

>  <Target> (1,665)
Syk

>  <Form> (1,665)
Disodium 

>  <CAS> (1,665)
914295-16-2

>  <URL> (1,665)
htt

$$$$

csChFnd80/09262109422D

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M  END
>  <Mol_ID> (1,666)
1666

>  <Formula> (1,666)
C28H25ClF3N7O2

>  <MolWeight> (1,666)
583.9920096

>  <Cat> (1,666)
S4895

>  <Name> (1,666)
Nilotinib hy

>  <Synonyms> (1,666)
Tas

>  <Target> (1,666)
Bcr-Abl

>  <Form> (1,666)
Hydrochlo

>  <CAS> (1,666)
923288-90-8

>  <URL> (1,666)
htt

$$$$

csChFnd80/09262109422D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0  0  0  0
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 23  8  1  0  0  0  0
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 14  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,667)
1667

>  <Formula> (1,667)
C22H28Cl2O4

>  <MolWeight> (1,667)
427.36132

>  <Cat> (1,667)
E0001

>  <Name> (1,667)
DCPIB

>  <Synonyms> (1,667)
N/A

>  <Target> (1,667)
Potassium Channel

>  <Form> (1,667)
Free Base

>  <CAS> (1,667)
82749-70-0

>  <URL> (1,667)
htt

$$$$

csChFnd80/09262109422D

 35 37  0  0  0  0  0  0  0  0999 V2000
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728-61-0

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htt

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>  <Form> (1,673)
Free Base

>  <CAS> (1,673)
1617-70-5

>  <URL> (1,673)
htt

$$$$

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AMPK

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945619-74-9

>  <URL> (1,674)
htt

$$$$

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>  <Mol_ID> (1,675)
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>  <Formula> (1,675)
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>  <MolWeight> (1,675)
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>  <Cat> (1,675)
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>  <Name> (1,675)
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>  <Synonyms> (1,675)
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>  <Target> (1,675)
PKM

>  <Form> (1,675)
Free Base

>  <CAS> (1,675)
863987-12-6

>  <URL> (1,675)
htt

$$$$

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htt

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csChFnd80/09262109422D

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htt

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htt

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 18 20  1  0  0  0  0
  4 11  1  0  0  0  0
  3 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,685)
1685

>  <Formula> (1,685)
C19H20N6OS

>  <MolWeight> (1,685)
380.4667

>  <Cat> (1,685)
S6060

>  <Name> (1,685)
HPK1-IN-2

>  <Synonyms> (1,685)
N/A

>  <Target> (1,685)
Serine/threonin kinase

>  <Form> (1,685)
Free Base

>  <CAS> (1,685)
2056122-11-1

>  <URL> (1,685)
htt

$$$$

csChFnd80/09262109422D

 18 18  0  0  0  0  0  0  0  0999 V2000
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  2 15  1  0  0  0  0
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  4  7  1  0  0  0  0
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  7  8  1  0  0  0  0
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 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,686)
1686

>  <Formula> (1,686)
C12H22ClN3OS

>  <MolWeight> (1,686)
291.84058

>  <Cat> (1,686)
S6078

>  <Name> (1,686)
ICCB-19 hydr

>  <Synonyms> (1,686)
N/A

>  <Target> (1,686)
RIP kinase

>  <Form> (1,686)
Hydrochlo

>  <CAS> (1,686)
1803605-68-6

>  <URL> (1,686)
htt

$$$$

csChFnd80/09262109422D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    3.1800    4.9841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
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  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4 24  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
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  9 16  2  0  0  0  0
 10 13  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,687)
1687

>  <Formula> (1,687)
C17H11Cl2N3O2

>  <MolWeight> (1,687)
360.19414

>  <Cat> (1,687)
S6085

>  <Name> (1,687)
KY19382 (A30

>  <Synonyms> (1,687)
N/A

>  <Target> (1,687)
GSK-3

>  <Form> (1,687)
Free Base

>  <CAS> (1,687)
2226664-93-1

>  <URL> (1,687)
htt

$$$$

csChFnd80/09262109422D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.4000   12.0673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 22  2  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
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 18 22  1  0  0  0  0
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 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,688)
1688

>  <Formula> (1,688)
C16H23Cl2N3O2S

>  <MolWeight> (1,688)
392.34372

>  <Cat> (1,688)
S6214

>  <Name> (1,688)
H-1152 dihyd

>  <Synonyms> (1,688)
H-1

>  <Target> (1,688)
Aurora Kinase

>  <Form> (1,688)
Dihydroch

>  <CAS> (1,688)
871543-07-6

>  <URL> (1,688)
htt

$$$$

csChFnd80/09262109422D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
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  3  7  2  0  0  0  0
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  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
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 13 14  1  0  0  0  0
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 20 24  1  0  0  0  0
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M  END
>  <Mol_ID> (1,689)
1689

>  <Formula> (1,689)
C20H21N5

>  <MolWeight> (1,689)
331.41424

>  <Cat> (1,689)
S6383

>  <Name> (1,689)
1-NM-PP1

>  <Synonyms> (1,689)
PP1

>  <Target> (1,689)
Src

>  <Form> (1,689)
Free Base

>  <CAS> (1,689)
221244-14-0

>  <URL> (1,689)
htt

$$$$

csChFnd80/09262109422D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,690)
1690

>  <Formula> (1,690)
C14H21N3O

>  <MolWeight> (1,690)
247.33604

>  <Cat> (1,690)
S6390

>  <Name> (1,690)
Y-27632

>  <Synonyms> (1,690)
N/A

>  <Target> (1,690)
ROCK

>  <Form> (1,690)
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htt

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htt

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2222094-18-8

>  <URL> (1,701)
htt

$$$$

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>  <Mol_ID> (1,702)
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>  <CAS> (1,702)
2229974-83-6

>  <URL> (1,702)
htt

$$$$
