AY-20590
csChFnd80/12302109272D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0955    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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   -1.2045   -1.4862    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
    2.7644   -0.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5149   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7748    1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0334    3.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8149    1.4759    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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 16 17  2  0  0  0  0
 19 20  2  0  0  0  0
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
csChFnd80/12302109272D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.5458    3.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9833    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    2.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    3.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10 14  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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  3  5  1  0  0  0  0
 13 10  2  0  0  0  0
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
csChFnd80/12302109272D

 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
   -3.3416   -2.2690    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  1  0  0  0  0
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  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
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 11 16  1  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
csChFnd80/12302109272D

 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
    7.9167   -7.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.5042   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7750   -4.8792    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 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
 28 21  1  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
 31 27  1  0  0  0  0
 32 28  2  0  0  0  0
 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
csChFnd80/12302109272D

 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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   15.1792   -4.9542    0.0000 C   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
 19 16  1  0  0  0  0
 20 15  2  0  0  0  0
 21 17  1  0  0  0  0
 22  6  2  0  0  0  0
 23 10  1  0  0  0  0
 24 14  1  0  0  0  0
 25 14  1  0  0  0  0
 26 18  1  0  0  0  0
 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
csChFnd80/12302109272D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 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
csChFnd80/12302109272D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 18 20  2  0  0  0  0
  8 11  1  0  0  0  0
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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
csChFnd80/12302109272D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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 10  1  1  0  0  0  0
 11  7  2  0  0  0  0
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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
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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
csChFnd80/12302109272D

 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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  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
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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
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
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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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 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
csChFnd80/12302109272D

 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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260428-61-3

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N/A

$$$$
WAY-300062
csChFnd80/12302109272D

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free base

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330990-68-6

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N/A

$$$$
WAY-302159
csChFnd80/12302109272D

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13

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VEGFR-2

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free base

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62802-77-1

>  <URL> (13)
N/A

$$$$
WAY-302713-A
csChFnd80/12302109272D

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M  END
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14

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>  <MolWeight> (14)
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>  <Synonyms> (14)
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>  <Target> (14)
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free base

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443747-52-2

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N/A

$$$$
WAY-302888
csChFnd80/12302109272D

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15

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others

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free base

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N/A

$$$$
WAY-303290
csChFnd80/12302109272D

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p56lck SH2 domain

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free base

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323176-64-3

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N/A

$$$$
WAY-303292
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (17)
17

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C13H11NO4S

>  <MolWeight> (17)
277.29574

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WAY-303292

>  <Synonyms> (17)
N/A

>  <Target> (17)
B-Raf

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free base

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333441-11-5

>  <URL> (17)
N/A

$$$$
WAY-304800-A
csChFnd80/12302109272D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C15H13N3O2S

>  <MolWeight> (18)
299.34762

>  <Cat> (18)
P3719

>  <Name> (18)
WAY-304800-A

>  <Synonyms> (18)
N/A

>  <Target> (18)
Casein kinase 1¦Ä

>  <Form> (18)
free base

>  <CAS> (18)
345616-08-2

>  <URL> (18)
N/A

$$$$
WAY-305025
csChFnd80/12302109272D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 11  7  2  0  0  0  0
 12  9  2  0  0  0  0
 13  3  1  0  0  0  0
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M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C9H8N2O3S

>  <MolWeight> (19)
224.23642

>  <Cat> (19)
P3680

>  <Name> (19)
WAY-305025

>  <Synonyms> (19)
N/A

>  <Target> (19)
Mnk

>  <Form> (19)
free base

>  <CAS> (19)
457911-10-3

>  <URL> (19)
N/A

$$$$
WAY-383487
csChFnd80/12302109272D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 11  4  1  0  0  0  0
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 13  9  2  0  0  0  0
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M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C16H20FNO3

>  <MolWeight> (20)
293.3333032

>  <Cat> (20)
P3718

>  <Name> (20)
WAY-383487

>  <Synonyms> (20)
N/A

>  <Target> (20)
CDK

>  <Form> (20)
free base

>  <CAS> (20)
748146-89-6

>  <URL> (20)
N/A

$$$$
WAY-232261
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  8  1  0  0  0  0
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 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
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 21 14  1  0  0  0  0
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 13 21  1  0  0  0  0
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M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C14H20N4O3

>  <MolWeight> (21)
292.3336

>  <Cat> (21)
P3717

>  <Name> (21)
WAY-232261

>  <Synonyms> (21)
N/A

>  <Target> (21)
 PI3K

>  <Form> (21)
free base

>  <CAS> (21)
332023-13-9

>  <URL> (21)
N/A

$$$$
WAY-340245
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
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 16  1  1  0  0  0  0
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M  END
>  <Mol_ID> (22)
22

>  <Formula> (22)
C13H12N2O4S

>  <MolWeight> (22)
292.31038

>  <Cat> (22)
P3716

>  <Name> (22)
WAY-340245

>  <Synonyms> (22)
N/A

>  <Target> (22)
ERK

>  <Form> (22)
free base

>  <CAS> (22)
350509-85-2

>  <URL> (22)
N/A

$$$$
WAY-340935
csChFnd80/12302109272D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 16  1  2  0  0  0  0
 17  7  2  0  0  0  0
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 19 18  2  0  0  0  0
 19 17  1  0  0  0  0
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M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C15H11BrN2O

>  <MolWeight> (23)
315.16464

>  <Cat> (23)
P3744

>  <Name> (23)
WAY-340935

>  <Synonyms> (23)
N/A

>  <Target> (23)
VEGFR2 kinase

>  <Form> (23)
free base

>  <CAS> (23)
737818-56-3

>  <URL> (23)
N/A

$$$$
WAY-346658
csChFnd80/12302109272D

 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
 13 11  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
  7  8  2  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (24)
25

>  <Formula> (24)
C13H11ClN2O2S

>  <MolWeight> (24)
294.75664

>  <Cat> (24)
P3715

>  <Name> (24)
WAY-346658

>  <Synonyms> (24)
N/A

>  <Target> (24)
c-Jun N-terminal kinase

>  <Form> (24)
free base

>  <CAS> (24)
381714-44-9

>  <URL> (24)
N/A

$$$$
WAY-350471
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
   10.5792   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167  -10.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8792  -10.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0667   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6417  -12.7000    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
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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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 18 10  1  0  0  0  0
 19  5  1  0  0  0  0
 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> (25)
26

>  <Formula> (25)
C14H18N4OS

>  <MolWeight> (25)
290.38392

>  <Cat> (25)
P3714

>  <Name> (25)
WAY-350471

>  <Synonyms> (25)
N/A

>  <Target> (25)
IRAK

>  <Form> (25)
free base

>  <CAS> (25)
785705-53-5

>  <URL> (25)
N/A

$$$$
WAY-352563
csChFnd80/12302109272D

 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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  2  1  2  0  0  0  0
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 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
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 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20 13  1  0  0  0  0
 21 22  2  0  0  0  0
 22 19  1  0  0  0  0
  5  4  1  0  0  0  0
 18 21  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (26)
27

>  <Formula> (26)
C18H14O4

>  <MolWeight> (26)
294.30136

>  <Cat> (26)
P3743

>  <Name> (26)
WAY-352563

>  <Synonyms> (26)
N/A

>  <Target> (26)
CDK

>  <Form> (26)
free base

>  <CAS> (26)
505051-04-7

>  <URL> (26)
N/A

$$$$
GI-505946
csChFnd80/12302109272D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.3889   -0.3184    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
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
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 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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 16 18  2  0  0  0  0
  7  8  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (27)
28

>  <Formula> (27)
C12H9Cl2N3O

>  <MolWeight> (27)
282.12536

>  <Cat> (27)
P3713

>  <Name> (27)
GI-505946

>  <Synonyms> (27)
N/A

>  <Target> (27)
p38

>  <Form> (27)
free base

>  <CAS> (27)
13142-47-7

>  <URL> (27)
N/A

$$$$
WAY-354896
csChFnd80/12302109272D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10 17  1  0  0  0  0
 11  1  1  0  0  0  0
 12  2  2  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15  4  1  0  0  0  0
 16  7  1  0  0  0  0
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 19 15  2  0  0  0  0
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 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (28)
29

>  <Formula> (28)
C18H16O5

>  <MolWeight> (28)
312.31664

>  <Cat> (28)
P3742

>  <Name> (28)
WAY-354896

>  <Synonyms> (28)
N/A

>  <Target> (28)
PKR,PERK

>  <Form> (28)
free base

>  <CAS> (28)
136498-37-8

>  <URL> (28)
N/A

$$$$
WAY-380496
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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N/A

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DAPK

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free base

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304000-05-3

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N/A

$$$$
WAY-381332
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (30)
31

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C13H10N2O2S2

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WAY-381332

>  <Synonyms> (30)
N/A

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CDK9 

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free base

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380163-63-3

>  <URL> (30)
N/A

$$$$
WAY-332656
csChFnd80/12302109272D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (31)
32

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WAY-332656

>  <Synonyms> (31)
N/A

>  <Target> (31)
Protein kinase C epsilon signaling

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free base

>  <CAS> (31)
904458-98-6

>  <URL> (31)
N/A

$$$$
WAY-601017
csChFnd80/12302109272D

 35 39  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (32)
33

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C25H22N6O3S

>  <MolWeight> (32)
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>  <Name> (32)
WAY-601017

>  <Synonyms> (32)
N/A

>  <Target> (32)
 PI3K

>  <Form> (32)
free base

>  <CAS> (32)
300375-81-9

>  <URL> (32)
N/A

$$$$
WAY-601035
csChFnd80/12302109272D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (33)
34

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>  <MolWeight> (33)
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>  <Name> (33)
WAY-601035

>  <Synonyms> (33)
N/A

>  <Target> (33)
 PI3K

>  <Form> (33)
free base

>  <CAS> (33)
304645-61-2

>  <URL> (33)
N/A

$$$$
WAY-614915
csChFnd80/12302109272D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (34)
35

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C14H14N4S

>  <MolWeight> (34)
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P3452

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WAY-614915

>  <Synonyms> (34)
N/A

>  <Target> (34)
Casein kinase 1¦Ä

>  <Form> (34)
free base

>  <CAS> (34)
450394-66-8

>  <URL> (34)
N/A

$$$$
WAY-615029
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
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 13  9  1  0  0  0  0
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 20  5  1  0  0  0  0
 21  6  1  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (35)
36

>  <Formula> (35)
C14H15N3O4S

>  <MolWeight> (35)
321.3516

>  <Cat> (35)
P3453

>  <Name> (35)
WAY-615029

>  <Synonyms> (35)
N/A

>  <Target> (35)
Kinase

>  <Form> (35)
free base

>  <CAS> (35)
730945-59-2

>  <URL> (35)
N/A

$$$$
WAY-632613
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
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 13  3  2  0  0  0  0
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 19  8  1  0  0  0  0
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 21 18  1  0  0  0  0
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 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (36)
37

>  <Formula> (36)
C15H14N2O3S

>  <MolWeight> (36)
302.34826

>  <Cat> (36)
P3476

>  <Name> (36)
WAY-632613

>  <Synonyms> (36)
N/A

>  <Target> (36)
p38

>  <Form> (36)
free base

>  <CAS> (36)
731816-85-6

>  <URL> (36)
N/A

$$$$
WAY-632896
csChFnd80/12302109272D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
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M  END
>  <Mol_ID> (37)
38

>  <Formula> (37)
C14H13N3OS

>  <MolWeight> (37)
271.33752

>  <Cat> (37)
P3477

>  <Name> (37)
WAY-632896

>  <Synonyms> (37)
N/A

>  <Target> (37)
CDK9,GSK-3

>  <Form> (37)
free base

>  <CAS> (37)
784170-07-6

>  <URL> (37)
N/A

$$$$
WAY-632963-A
csChFnd80/12302109272D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (38)
39

>  <Formula> (38)
C11H12ClN3O

>  <MolWeight> (38)
237.68548

>  <Cat> (38)
P3478

>  <Name> (38)
WAY-632963

>  <Synonyms> (38)
N/A

>  <Target> (38)
Aurora kinase A

>  <Form> (38)
free base

>  <CAS> (38)
900640-73-5

>  <URL> (38)
N/A

$$$$
WAY-633334
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  2  0  0  0  0
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 20  2  1  0  0  0  0
 21  5  1  0  0  0  0
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 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (39)
40

>  <Formula> (39)
C15H15N3O2S

>  <MolWeight> (39)
301.3635

>  <Cat> (39)
P3479

>  <Name> (39)
WAY-633334

>  <Synonyms> (39)
N/A

>  <Target> (39)
Casein kinase 1¦Ä

>  <Form> (39)
free base

>  <CAS> (39)
757224-44-5

>  <URL> (39)
N/A

$$$$
WAY-633877
csChFnd80/12302109272D

 29 34  0  0  0  0  0  0  0  0999 V2000
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    1.1792   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.1042    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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  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
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 17 15  2  0  0  0  0
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 24  2  1  0  0  0  0
 25 10  1  0  0  0  0
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 10  7  2  0  0  0  0
  8  5  1  0  0  0  0
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 18 16  2  0  0  0  0
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M  END
>  <Mol_ID> (40)
41

>  <Formula> (40)
C21H19N5O3

>  <MolWeight> (40)
389.40726

>  <Cat> (40)
P3480

>  <Name> (40)
WAY-633877

>  <Synonyms> (40)
N/A

>  <Target> (40)
Casein kinase 1¦Ä

>  <Form> (40)
free base

>  <CAS> (40)
782452-74-8

>  <URL> (40)
N/A

$$$$
WAY-652435
csChFnd80/12302109272D

 13 14  0  0  0  0  0  0  0  0999 V2000
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   -0.0958    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3292    0.9875    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  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> (41)
42

>  <Formula> (41)
C9H15N3O

>  <MolWeight> (41)
181.2349

>  <Cat> (41)
P3514

>  <Name> (41)
WAY-652435

>  <Synonyms> (41)
N/A

>  <Target> (41)
P2Y12,tankyrase,Aurora Kinase

>  <Form> (41)
free base

>  <CAS> (41)
173850-51-6

>  <URL> (41)
N/A

$$$$
WAY-652509
csChFnd80/12302109272D

 19 21  0  0  0  0  0  0  0  0999 V2000
    7.1555    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1431    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5745    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (42)
43

>  <Formula> (42)
C15H12ClN3

>  <MolWeight> (42)
269.72888

>  <Cat> (42)
P3515

>  <Name> (42)
WAY-652509

>  <Synonyms> (42)
N/A

>  <Target> (42)
quinone reductase 2,Casein kinase 1¦Ä

>  <Form> (42)
free base

>  <CAS> (42)
854355-54-7

>  <URL> (42)
N/A

$$$$
WAY-652641
csChFnd80/12302109272D

 14 14  0  0  0  0  0  0  0  0999 V2000
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    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> (43)
44

>  <Formula> (43)
C9H14N2O3

>  <MolWeight> (43)
198.21906

>  <Cat> (43)
P3516

>  <Name> (43)
WAY-652641

>  <Synonyms> (43)
N/A

>  <Target> (43)
CDK

>  <Form> (43)
free base

>  <CAS> (43)
852851-73-1

>  <URL> (43)
N/A

$$$$
WAY-652848
csChFnd80/12302109272D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  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> (44)
45

>  <Formula> (44)
C17H17F3N2O3

>  <MolWeight> (44)
354.3236896

>  <Cat> (44)
P3517

>  <Name> (44)
WAY-652848

>  <Synonyms> (44)
N/A

>  <Target> (44)
SRPK kinase 

>  <Form> (44)
free base

>  <CAS> (44)
848057-98-7

>  <URL> (44)
N/A

$$$$
WAY-653005
csChFnd80/12302109272D

 13 14  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  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  8  2  0  0  0  0
  7  4  2  0  0  0  0
  8  5  1  0  0  0  0
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 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 13 11  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
>  <Mol_ID> (45)
46

>  <Formula> (45)
C11H15NO

>  <MolWeight> (45)
177.2429

>  <Cat> (45)
P3518

>  <Name> (45)
WAY-653005

>  <Synonyms> (45)
N/A

>  <Target> (45)
others

>  <Form> (45)
free base

>  <CAS> (45)
74190-66-2

>  <URL> (45)
N/A

$$$$
WAY-271413
csChFnd80/12302109272D

 28 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (46)
47

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C20H15N3O4S

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WAY-271413

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N/A

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GSK-3¦Â

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free base

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536731-65-4

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N/A

$$$$
WAY-271999
csChFnd80/12302109272D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (47)
48

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C11H7ClN2O3

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WAY-271999

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N/A

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c-Met

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free base

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147920-34-1

>  <URL> (47)
N/A

$$$$
WAY-272077
csChFnd80/12302109272D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (48)
49

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C14H14N2O3S

>  <MolWeight> (48)
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WAY-272077

>  <Synonyms> (48)
N/A

>  <Target> (48)
sphingosine kinase

>  <Form> (48)
free base

>  <CAS> (48)
1415662-57-5

>  <URL> (48)
N/A

$$$$
WAY-272130
csChFnd80/12302109272D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (49)
50

>  <Formula> (49)
C18H12N2O5S

>  <MolWeight> (49)
368.36328

>  <Cat> (49)
P3285

>  <Name> (49)
WAY-272130

>  <Synonyms> (49)
N/A

>  <Target> (49)
FGFR1

>  <Form> (49)
free base

>  <CAS> (49)
442534-83-0

>  <URL> (49)
N/A

$$$$
WAY-272324
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (50)
51

>  <Formula> (50)
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>  <MolWeight> (50)
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>  <Cat> (50)
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>  <Name> (50)
WAY-272324

>  <Synonyms> (50)
N/A

>  <Target> (50)
 PI3K

>  <Form> (50)
free base

>  <CAS> (50)
900515-01-7

>  <URL> (50)
N/A

$$$$
WAY-272449
csChFnd80/12302109272D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (51)
52

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C17H11ClN2O3S

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358.79884

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P3287

>  <Name> (51)
WAY-272449

>  <Synonyms> (51)
N/A

>  <Target> (51)
FGFR1

>  <Form> (51)
free base

>  <CAS> (51)
670266-26-9

>  <URL> (51)
N/A

$$$$
WAY-272589
csChFnd80/12302109272D

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 12  7  2  0  0  0  0
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 14  8  2  0  0  0  0
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M  END
>  <Mol_ID> (52)
53

>  <Formula> (52)
C16H15N3O2S2

>  <MolWeight> (52)
345.4392

>  <Cat> (52)
P3288

>  <Name> (52)
WAY-272589

>  <Synonyms> (52)
N/A

>  <Target> (52)
pin1

>  <Form> (52)
free base

>  <CAS> (52)
637325-53-2

>  <URL> (52)
N/A

$$$$
WAY-320008
csChFnd80/12302109272D

 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> (53)
54

>  <Formula> (53)
C20H16N4

>  <MolWeight> (53)
312.36784

>  <Cat> (53)
P3322

>  <Name> (53)
WAY-320008

>  <Synonyms> (53)
N/A

>  <Target> (53)
tropomyosin-related kinase a

>  <Form> (53)
free base

>  <CAS> (53)
128889-33-8

>  <URL> (53)
N/A

$$$$
WAY-320426
csChFnd80/12302109272D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (54)
55

>  <Formula> (54)
C14H14ClN3O2

>  <MolWeight> (54)
291.73286

>  <Cat> (54)
P3326

>  <Name> (54)
WAY-320426

>  <Synonyms> (54)
N/A

>  <Target> (54)
Anti-infection

>  <Form> (54)
free base

>  <CAS> (54)
312601-47-1

>  <URL> (54)
N/A

$$$$
WAY-635767
csChFnd80/12302109272D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (55)
56

>  <Formula> (55)
C12H12ClN3O

>  <MolWeight> (55)
249.69618

>  <Cat> (55)
P3488

>  <Name> (55)
WAY-635767

>  <Synonyms> (55)
N/A

>  <Target> (55)
Aurora kinase A

>  <Form> (55)
free base

>  <CAS> (55)
790232-33-6

>  <URL> (55)
N/A

$$$$
CL-16859
csChFnd80/12302109272D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (56)
58

>  <Formula> (56)
C14H20N2O2

>  <MolWeight> (56)
248.3208

>  <Cat> (56)
P3254

>  <Name> (56)
CL-16859

>  <Synonyms> (56)
N/A

>  <Target> (56)
Anti-infection 

>  <Form> (56)
free base

>  <CAS> (56)
438025-86-6

>  <URL> (56)
N/A

$$$$
WAY-320706
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (57)
59

>  <Formula> (57)
C13H11ClN6OS2

>  <MolWeight> (57)
366.84904

>  <Cat> (57)
P3328

>  <Name> (57)
WAY-320706

>  <Synonyms> (57)
N/A

>  <Target> (57)
Anti-infection, ATOH-1

>  <Form> (57)
free base

>  <CAS> (57)
370092-42-5

>  <URL> (57)
N/A

$$$$
WAY-320774
csChFnd80/12302109272D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
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 16  5  1  0  0  0  0
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M  END
>  <Mol_ID> (58)
60

>  <Formula> (58)
C19H16N4O2S

>  <MolWeight> (58)
364.42094

>  <Cat> (58)
P3329

>  <Name> (58)
WAY-320774

>  <Synonyms> (58)
N/A

>  <Target> (58)
Kanamycin Resistance Enzyme Eis

>  <Form> (58)
free base

>  <CAS> (58)
425653-38-9

>  <URL> (58)
N/A

$$$$
WAY-320951
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  4  2  0  0  0  0
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  3  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 20 22  1  0  0  0  0
  7  8  2  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (59)
61

>  <Formula> (59)
C14H11N3O4S

>  <MolWeight> (59)
317.31984

>  <Cat> (59)
P3330

>  <Name> (59)
WAY-320951

>  <Synonyms> (59)
N/A

>  <Target> (59)
Anti-infection

>  <Form> (59)
free base

>  <CAS> (59)
430444-03-4

>  <URL> (59)
N/A

$$$$
WAY-321002
csChFnd80/12302109272D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (60)
62

>  <Formula> (60)
C20H16N4

>  <MolWeight> (60)
312.36784

>  <Cat> (60)
P3331

>  <Name> (60)
WAY-321002

>  <Synonyms> (60)
N/A

>  <Target> (60)
EGFR,PDE-5,TGF-¦Â,p38-¦Á,

>  <Form> (60)
free base

>  <CAS> (60)
166039-38-9

>  <URL> (60)
N/A

$$$$
WAY-321364
csChFnd80/12302109272D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
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 11 13  2  0  0  0  0
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 25 28  2  0  0  0  0
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 16 17  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (61)
63

>  <Formula> (61)
C21H17N3O4

>  <MolWeight> (61)
375.37738

>  <Cat> (61)
P3332

>  <Name> (61)
WAY-321364

>  <Synonyms> (61)
N/A

>  <Target> (61)
casein kinase 2

>  <Form> (61)
free base

>  <CAS> (61)
385389-39-9

>  <URL> (61)
N/A

$$$$
WAY-321366
csChFnd80/12302109272D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 11 13  2  0  0  0  0
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 15 18  1  0  0  0  0
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 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> (62)
64

>  <Formula> (62)
C20H14ClN3O3

>  <MolWeight> (62)
379.79646

>  <Cat> (62)
P3333

>  <Name> (62)
WAY-321366

>  <Synonyms> (62)
N/A

>  <Target> (62)
tyrosine kinase

>  <Form> (62)
free base

>  <CAS> (62)
370854-75-4

>  <URL> (62)
N/A

$$$$
WAY-321582-A
csChFnd80/12302109272D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 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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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (63)
65

>  <Formula> (63)
C13H11N3O

>  <MolWeight> (63)
225.24594

>  <Cat> (63)
P3334

>  <Name> (63)
WAY-321582-A

>  <Synonyms> (63)
N/A

>  <Target> (63)
casein kinase 2

>  <Form> (63)
free base

>  <CAS> (63)
34116-16-0

>  <URL> (63)
N/A

$$$$
WAY-321873
csChFnd80/12302109272D

 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
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  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
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  8  2  2  0  0  0  0
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 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
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 20 22  2  0  0  0  0
 21 18  2  0  0  0  0
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 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
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 25 23  2  0  0  0  0
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 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (64)
66

>  <Formula> (64)
C21H17N5O4S

>  <MolWeight> (64)
435.45578

>  <Cat> (64)
P3335

>  <Name> (64)
WAY-321873

>  <Synonyms> (64)
N/A

>  <Target> (64)
 GATA4-NKX2-5,AKT

>  <Form> (64)
free base

>  <CAS> (64)
547704-53-0

>  <URL> (64)
N/A

$$$$
WAY-321961
csChFnd80/12302109272D

 16 18  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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  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  8  2  0  0  0  0
 12  2  1  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 16 12  1  0  0  0  0
  6  4  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
>  <Mol_ID> (65)
67

>  <Formula> (65)
C12H11NO3

>  <MolWeight> (65)
217.22064

>  <Cat> (65)
P3336

>  <Name> (65)
WAY-321961

>  <Synonyms> (65)
N/A

>  <Target> (65)
protein kinase D

>  <Form> (65)
free base

>  <CAS> (65)
370586-05-3

>  <URL> (65)
N/A

$$$$
WAY-322545
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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 21 18  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (66)
68

>  <Formula> (66)
C17H19ClN2O3

>  <MolWeight> (66)
334.79736

>  <Cat> (66)
P3337

>  <Name> (66)
WAY-322545

>  <Synonyms> (66)
N/A

>  <Target> (66)
GSK-3¦Á/¦Â

>  <Form> (66)
free base

>  <CAS> (66)
451449-70-0

>  <URL> (66)
N/A

$$$$
WAY-322940
csChFnd80/12302109272D

 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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   13.5609    7.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7769    5.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6318   10.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1356    4.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  2  0  0  0  0
  9  6  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  5  1  0  0  0  0
 15 12  1  0  0  0  0
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 17  6  2  0  0  0  0
 18 14  2  0  0  0  0
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 21 13  1  0  0  0  0
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 31 24  1  0  0  0  0
  2  5  2  0  0  0  0
 13 18  1  0  0  0  0
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 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (67)
69

>  <Formula> (67)
C22H20N4O4S

>  <MolWeight> (67)
436.4836

>  <Cat> (67)
P3338

>  <Name> (67)
WAY-322940

>  <Synonyms> (67)
N/A

>  <Target> (67)
Rho 

>  <Form> (67)
free base

>  <CAS> (67)
445267-51-6

>  <URL> (67)
N/A

$$$$
WAY-604116
csChFnd80/12302109272D

 20 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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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (68)
70

>  <Formula> (68)
C17H22N2O

>  <MolWeight> (68)
270.36938

>  <Cat> (68)
P3436

>  <Name> (68)
WAY-604116

>  <Synonyms> (68)
N/A

>  <Target> (68)
sphingosine kinase,11¦Â-hydroxysteroid dehyd

>  <Form> (68)
free base

>  <CAS> (68)
121768-39-6

>  <URL> (68)
N/A

$$$$
WAY-299721
csChFnd80/12302109272D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    3.7931   -2.0207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4621   -1.0310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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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  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
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 22 25  2  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  5  9  2  0  0  0  0
 13 15  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (69)
71

>  <Formula> (69)
C18H15ClF3N5OS

>  <MolWeight> (69)
441.8578096

>  <Cat> (69)
P3306

>  <Name> (69)
WAY-299721

>  <Synonyms> (69)
N/A

>  <Target> (69)
SYK kinase

>  <Form> (69)
free base

>  <CAS> (69)
338427-78-4

>  <URL> (69)
N/A

$$$$
WAY-300385
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.8586    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
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  8 13  2  0  0  0  0
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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> (70)
72

>  <Formula> (70)
C13H15N3O2S2

>  <MolWeight> (70)
309.4071

>  <Cat> (70)
P3308

>  <Name> (70)
WAY-300385

>  <Synonyms> (70)
N/A

>  <Target> (70)
Anti-infection

>  <Form> (70)
free base

>  <CAS> (70)
500188-71-6

>  <URL> (70)
N/A

$$$$
WAY-300442
csChFnd80/12302109272D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.4034    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4034    1.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
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  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
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 15 20  1  0  0  0  0
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 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 18 22  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (71)
73

>  <Formula> (71)
C18H11BrN2O4

>  <MolWeight> (71)
399.19494

>  <Cat> (71)
P3309

>  <Name> (71)
WAY-300442

>  <Synonyms> (71)
N/A

>  <Target> (71)
ATP-kinase

>  <Form> (71)
free base

>  <CAS> (71)
333773-08-3

>  <URL> (71)
N/A

$$$$
WAY-384934
csChFnd80/12302109272D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.5125   -6.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  2  0  0  0  0
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M  END
>  <Mol_ID> (72)
74

>  <Formula> (72)
C24H22N4O2

>  <MolWeight> (72)
398.45708

>  <Cat> (72)
P3420

>  <Name> (72)
WAY-384934

>  <Synonyms> (72)
N/A

>  <Target> (72)
pyruvate kinase

>  <Form> (72)
free base

>  <CAS> (72)
498568-75-5

>  <URL> (72)
N/A

$$$$
WAY-388796
csChFnd80/12302109272D

 15 17  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
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 15 14  1  0  0  0  0
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 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (73)
75

>  <Formula> (73)
C11H11ClN2S

>  <MolWeight> (73)
238.73644

>  <Cat> (73)
P3421

>  <Name> (73)
WAY-388796

>  <Synonyms> (73)
N/A

>  <Target> (73)
PDE5,PARP-1,PDE4,LIMK1,c-Met

>  <Form> (73)
free base

>  <CAS> (73)
40106-58-9

>  <URL> (73)
N/A

$$$$
WAY-388798
csChFnd80/12302109272D

 12 13  0  0  0  0  0  0  0  0999 V2000
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    3.0310   -1.6586    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
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M  END
>  <Mol_ID> (74)
76

>  <Formula> (74)
C7H5ClN2OS

>  <MolWeight> (74)
200.6454

>  <Cat> (74)
P3422

>  <Name> (74)
WAY-388798

>  <Synonyms> (74)
N/A

>  <Target> (74)
GPR40,histone deacetylase,mGluR5 receptor

>  <Form> (74)
free base

>  <CAS> (74)
63417-81-2

>  <URL> (74)
N/A

$$$$
WAY-346940
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
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 13  6  2  0  0  0  0
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 19 12  1  0  0  0  0
 15 23  2  0  0  0  0
M  END
>  <Mol_ID> (75)
77

>  <Formula> (75)
C15H11ClN4O2S

>  <MolWeight> (75)
346.79144

>  <Cat> (75)
P3391

>  <Name> (75)
WAY-346940

>  <Synonyms> (75)
N/A

>  <Target> (75)
Rho

>  <Form> (75)
free base

>  <CAS> (75)
392246-66-1

>  <URL> (75)
N/A

$$$$
WAY-347243
csChFnd80/12302109272D

 15 16  0  0  0  0  0  0  0  0999 V2000
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   13.9167   -8.5250    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
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 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
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M  END
>  <Mol_ID> (76)
78

>  <Formula> (76)
C11H13N3S

>  <MolWeight> (76)
219.30602

>  <Cat> (76)
P3392

>  <Name> (76)
WAY-347243

>  <Synonyms> (76)
N/A

>  <Target> (76)
Anti-infection

>  <Form> (76)
free base

>  <CAS> (76)
422298-69-9

>  <URL> (76)
N/A

$$$$
WAY-347626
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   10.5375  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8417  -12.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8875   -7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  6  1  0  0  0  0
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 13  9  1  0  0  0  0
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  7 12  1  0  0  0  0
 11 16  2  0  0  0  0
M  END
>  <Mol_ID> (77)
79

>  <Formula> (77)
C17H15N3O3

>  <MolWeight> (77)
309.3193

>  <Cat> (77)
P3393

>  <Name> (77)
WAY-347626

>  <Synonyms> (77)
N/A

>  <Target> (77)
CDK2

>  <Form> (77)
free base

>  <CAS> (77)
756843-31-9

>  <URL> (77)
N/A

$$$$
WAY-347806
csChFnd80/12302109272D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
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M  END
>  <Mol_ID> (78)
80

>  <Formula> (78)
C17H13FN2O4S

>  <MolWeight> (78)
360.3595232

>  <Cat> (78)
P3394

>  <Name> (78)
WAY-347806

>  <Synonyms> (78)
N/A

>  <Target> (78)
CK2,GSK3¦Â

>  <Form> (78)
free base

>  <CAS> (78)
757198-76-8

>  <URL> (78)
N/A

$$$$
WAY-348144
csChFnd80/12302109272D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 11  7  2  0  0  0  0
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 14  6  1  0  0  0  0
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M  END
>  <Mol_ID> (79)
81

>  <Formula> (79)
C17H14N4O2S

>  <MolWeight> (79)
338.38366

>  <Cat> (79)
P3395

>  <Name> (79)
WAY-348144

>  <Synonyms> (79)
N/A

>  <Target> (79)
Casein kinase 1¦Ä

>  <Form> (79)
free base

>  <CAS> (79)
764694-25-9

>  <URL> (79)
N/A

$$$$
WAY-349807
csChFnd80/12302109272D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (80)
82

>  <Formula> (80)
C28H26ClN3O3

>  <MolWeight> (80)
487.97734

>  <Cat> (80)
P3397

>  <Name> (80)
WAY-349807

>  <Synonyms> (80)
N/A

>  <Target> (80)
Pim-1

>  <Form> (80)
free base

>  <CAS> (80)
544662-95-5

>  <URL> (80)
N/A

$$$$
WAY-349858
csChFnd80/12302109272D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (81)
83

>  <Formula> (81)
C15H16N2O4S

>  <MolWeight> (81)
320.36354

>  <Cat> (81)
P3398

>  <Name> (81)
WAY-349858

>  <Synonyms> (81)
N/A

>  <Target> (81)
c-Jun N-terminal kinase

>  <Form> (81)
free base

>  <CAS> (81)
771503-50-5

>  <URL> (81)
N/A

$$$$
WAY-350732
csChFnd80/12302109272D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  8  7  2  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (82)
84

>  <Formula> (82)
C13H11BrN2O2S

>  <MolWeight> (82)
339.20764

>  <Cat> (82)
P3399

>  <Name> (82)
WAY-350732

>  <Synonyms> (82)
N/A

>  <Target> (82)
c-Jun N-terminal kinase

>  <Form> (82)
free base

>  <CAS> (82)
438602-71-2

>  <URL> (82)
N/A

$$$$
WAY-351429
csChFnd80/12302109272D

 28 30  0  0  0  0  0  0  0  0999 V2000
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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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   14.1625   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4917   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15  8  2  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18  5  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 23 11  1  0  0  0  0
 24 14  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 27  1  0  0  0  0
  4  5  1  0  0  0  0
 20 21  2  0  0  0  0
 24 28  2  0  0  0  0
M  END
>  <Mol_ID> (83)
85

>  <Formula> (83)
C21H23N3O4

>  <MolWeight> (83)
381.42502

>  <Cat> (83)
P3400

>  <Name> (83)
WAY-351429

>  <Synonyms> (83)
N/A

>  <Target> (83)
choline kinase

>  <Form> (83)
free base

>  <CAS> (83)
451474-95-6

>  <URL> (83)
N/A

$$$$
WAY-351783
csChFnd80/12302109272D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.7667   -4.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -5.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0167   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2917  -10.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8042   -7.3792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.2167  -10.2167    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 18  1  0  0  0  0
  5  8  3  0  0  0  0
  6 20  1  0  0  0  0
  7 22  1  0  0  0  0
  8  6  1  0  0  0  0
  9 12  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12 17  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  4  1  0  0  0  0
 16  3  2  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  0  0  0  0
 19  4  2  0  0  0  0
 20 24  2  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23  9  1  0  0  0  0
 24 17  1  0  0  0  0
 25 16  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
  7 21  1  0  0  0  0
 30 28  2  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (84)
86

>  <Formula> (84)
C21H21ClN4O3S

>  <MolWeight> (84)
444.93444

>  <Cat> (84)
P3401

>  <Name> (84)
WAY-351783

>  <Synonyms> (84)
N/A

>  <Target> (84)
creatin kinase

>  <Form> (84)
free base

>  <CAS> (84)
460994-47-2

>  <URL> (84)
N/A

$$$$
WAY-351812
csChFnd80/12302109272D

 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
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   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
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   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
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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
 24 25  2  0  0  0  0
 25 22  1  0  0  0  0
  6  5  1  0  0  0  0
  9 23  2  0  0  0  0
M  END
>  <Mol_ID> (85)
87

>  <Formula> (85)
C15H14F3N3O3S

>  <MolWeight> (85)
373.3501696

>  <Cat> (85)
P3402

>  <Name> (85)
WAY-351812

>  <Synonyms> (85)
N/A

>  <Target> (85)
CDK8

>  <Form> (85)
free base

>  <CAS> (85)
471289-61-9

>  <URL> (85)
N/A

$$$$
WAY-352098
csChFnd80/12302109272D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   15.0875   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 13  1  0  0  0  0
 10  3  1  0  0  0  0
 11 15  1  0  0  0  0
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 13 20  1  0  0  0  0
 14 11  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  1  0  0  0  0
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 20 23  1  0  0  0  0
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 26 28  1  0  0  0  0
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M  END
>  <Mol_ID> (86)
88

>  <Formula> (86)
C17H12F3N5O2S

>  <MolWeight> (86)
407.3696896

>  <Cat> (86)
P3403

>  <Name> (86)
WAY-352098

>  <Synonyms> (86)
N/A

>  <Target> (86)
PDK1,CRTH2

>  <Form> (86)
free base

>  <CAS> (86)
482643-39-0

>  <URL> (86)
N/A

$$$$
WAY-352753
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (87)
89

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C14H10ClN3OS

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WAY-352753

>  <Synonyms> (87)
N/A

>  <Target> (87)
GSK-3

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free base

>  <CAS> (87)
478482-74-5

>  <URL> (87)
N/A

$$$$
WAY-353591
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (88)
90

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C16H12FN3S

>  <MolWeight> (88)
297.3499832

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>  <Name> (88)
WAY-353591

>  <Synonyms> (88)
N/A

>  <Target> (88)
Casein kinase 1d

>  <Form> (88)
free base

>  <CAS> (88)
454427-09-9

>  <URL> (88)
N/A

$$$$
WAY-353890
csChFnd80/12302109272D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (89)
91

>  <Formula> (89)
C17H13FN4O

>  <MolWeight> (89)
308.3097232

>  <Cat> (89)
P3407

>  <Name> (89)
WAY-353890

>  <Synonyms> (89)
N/A

>  <Target> (89)
FGFR1

>  <Form> (89)
free base

>  <CAS> (89)
459137-97-4

>  <URL> (89)
N/A

$$$$
WAY-354189
csChFnd80/12302109272D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (90)
92

>  <Formula> (90)
C15H12Cl2N2O4S

>  <MolWeight> (90)
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>  <Cat> (90)
P3408

>  <Name> (90)
WAY-354189

>  <Synonyms> (90)
N/A

>  <Target> (90)
JAK-STAT

>  <Form> (90)
free base

>  <CAS> (90)
850019-35-1

>  <URL> (90)
N/A

$$$$
GI-570261
csChFnd80/12302109272D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (91)
93

>  <Formula> (91)
C22H19N5O3S

>  <MolWeight> (91)
433.48296

>  <Cat> (91)
P3261

>  <Name> (91)
GI-570261

>  <Synonyms> (91)
N/A

>  <Target> (91)
LRP5/6-sclerostin interaction,phosphatidylin

>  <Form> (91)
free base

>  <CAS> (91)
301357-76-6

>  <URL> (91)
N/A

$$$$
WAY-352835
csChFnd80/12302109272D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (92)
94

>  <Formula> (92)
C16H15N3OS

>  <MolWeight> (92)
297.3748

>  <Cat> (92)
P3405

>  <Name> (92)
WAY-352835

>  <Synonyms> (92)
N/A

>  <Target> (92)
tyrosine kinase

>  <Form> (92)
free base

>  <CAS> (92)
401638-52-6

>  <URL> (92)
N/A

$$$$
WAY-354831
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
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  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
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 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  2  0  0  0  0
 13  3  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16  9  1  0  0  0  0
 17 20  2  0  0  0  0
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 22 17  1  0  0  0  0
  6  2  1  0  0  0  0
 12 18  1  0  0  0  0
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M  END
>  <Mol_ID> (93)
95

>  <Formula> (93)
C15H10FN3O3

>  <MolWeight> (93)
299.2566032

>  <Cat> (93)
P3409

>  <Name> (93)
WAY-354831

>  <Synonyms> (93)
N/A

>  <Target> (93)
c-Met 

>  <Form> (93)
free base

>  <CAS> (93)
330572-32-2

>  <URL> (93)
N/A

$$$$
WAY-354890
csChFnd80/12302109272D

 22 25  0  0  0  0  0  0  0  0999 V2000
    9.8167   -9.3292    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  9  1  0  0  0  0
 12 18  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16 12  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
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 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
  4  5  2  0  0  0  0
  8  6  2  0  0  0  0
 21 22  1  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (94)
96

>  <Formula> (94)
C17H16FN3S

>  <MolWeight> (94)
313.3924432

>  <Cat> (94)
P3410

>  <Name> (94)
WAY-354890

>  <Synonyms> (94)
N/A

>  <Target> (94)
EGFR 

>  <Form> (94)
free base

>  <CAS> (94)
852407-49-9

>  <URL> (94)
N/A

$$$$
WAY-355772
csChFnd80/12302109272D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.5417   -1.8500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7 12  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  8  1  0  0  0  0
 12 19  1  0  0  0  0
 13  8  2  0  0  0  0
 14  5  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  1  0  0  0  0
 19 25  2  0  0  0  0
 20  3  2  0  0  0  0
 21  4  1  0  0  0  0
 22 18  1  0  0  0  0
 23 18  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26 21  2  0  0  0  0
 27 20  1  0  0  0  0
 28 27  2  0  0  0  0
 29 14  2  0  0  0  0
  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> (95)
97

>  <Formula> (95)
C19H13F3N2O4S

>  <MolWeight> (95)
422.3777296

>  <Cat> (95)
P3411

>  <Name> (95)
WAY-355772

>  <Synonyms> (95)
N/A

>  <Target> (95)
serine/threonine kinase

>  <Form> (95)
free base

>  <CAS> (95)
442658-33-5

>  <URL> (95)
N/A

$$$$
WAY-357919
csChFnd80/12302109272D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.6125    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1500    1.5000    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  1  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  3  1  0  0  0  0
 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
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 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> (96)
98

>  <Formula> (96)
C18H16N2O2S

>  <MolWeight> (96)
324.39684

>  <Cat> (96)
P3412

>  <Name> (96)
WAY-357919

>  <Synonyms> (96)
N/A

>  <Target> (96)
VEGFR

>  <Form> (96)
free base

>  <CAS> (96)
298207-77-9

>  <URL> (96)
N/A

$$$$
WAY-358024
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.7017    6.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7017    5.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  6  2  0  0  0  0
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 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (97)
99

>  <Formula> (97)
C15H11N3O3

>  <MolWeight> (97)
281.26614

>  <Cat> (97)
P3413

>  <Name> (97)
WAY-358024

>  <Synonyms> (97)
N/A

>  <Target> (97)
GSK-3b

>  <Form> (97)
free base

>  <CAS> (97)
70169-39-0

>  <URL> (97)
N/A

$$$$
WAY-358667-A
csChFnd80/12302109272D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (98)
100

>  <Formula> (98)
C12H8N2S2

>  <MolWeight> (98)
244.33532

>  <Cat> (98)
P3414

>  <Name> (98)
WAY-358667-A

>  <Synonyms> (98)
N/A

>  <Target> (98)
Human protein kinase CK2

>  <Form> (98)
free base

>  <CAS> (98)
182198-89-6

>  <URL> (98)
N/A

$$$$
WAY-358981
csChFnd80/12302109272D

 19 21  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  1  1  0  0  0  0
  5  2  1  0  0  0  0
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 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
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 15 11  1  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  2  0  0  0  0
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  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> (99)
101

>  <Formula> (99)
C14H12N4O

>  <MolWeight> (99)
252.27128

>  <Cat> (99)
P3415

>  <Name> (99)
WAY-358981

>  <Synonyms> (99)
N/A

>  <Target> (99)
sphingosine kinase

>  <Form> (99)
free base

>  <CAS> (99)
307322-32-3

>  <URL> (99)
N/A

$$$$
WAY-359594
csChFnd80/12302109272D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.6375   -2.3000    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> (100)
102

>  <Formula> (100)
C23H21N3O2

>  <MolWeight> (100)
371.43174

>  <Cat> (100)
P3416

>  <Name> (100)
WAY-359594

>  <Synonyms> (100)
N/A

>  <Target> (100)
G protein coupled receptor 6 kinase

>  <Form> (100)
free base

>  <CAS> (100)
33495-39-5

>  <URL> (100)
N/A

$$$$
WAY-381785
csChFnd80/12302109272D

 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
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 16  2  0  0  0  0
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 20 19  2  0  0  0  0
 21 10  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
 24 20  1  0  0  0  0
 10  9  2  0  0  0  0
  5  3  1  0  0  0  0
 13  7  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (101)
103

>  <Formula> (101)
C20H23N3O

>  <MolWeight> (101)
321.41612

>  <Cat> (101)
P3417

>  <Name> (101)
WAY-381785

>  <Synonyms> (101)
N/A

>  <Target> (101)
GSK3

>  <Form> (101)
free base

>  <CAS> (101)
511239-29-5

>  <URL> (101)
N/A

$$$$
WAY-313201
csChFnd80/12302109272D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.0448   -0.6552    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
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  6 10  2  0  0  0  0
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 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
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 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (102)
104

>  <Formula> (102)
C12H12N2O3S

>  <MolWeight> (102)
264.30028

>  <Cat> (102)
P3320

>  <Name> (102)
WAY-313201

>  <Synonyms> (102)
N/A

>  <Target> (102)
 GSK-3b

>  <Form> (102)
free base

>  <CAS> (102)
571904-77-3

>  <URL> (102)
N/A

$$$$
WAY-311972
csChFnd80/12302109272D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (103)
105

>  <Formula> (103)
C21H18BrN3O3

>  <MolWeight> (103)
440.28992

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P3315

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WAY-311972

>  <Synonyms> (103)
N/A

>  <Target> (103)
ATP-kinases

>  <Form> (103)
free base

>  <CAS> (103)
606948-76-9

>  <URL> (103)
N/A

$$$$
WAY-113178
csChFnd80/12302109272D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (104)
106

>  <Formula> (104)
C21H17N3O3S

>  <MolWeight> (104)
391.44298

>  <Cat> (104)
P3263

>  <Name> (104)
WAY-113178

>  <Synonyms> (104)
N/A

>  <Target> (104)
IkB kinase-beta 

>  <Form> (104)
free base

>  <CAS> (104)
638999-98-1

>  <URL> (104)
N/A

$$$$
WAY-225588
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
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 20 18  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (105)
107

>  <Formula> (105)
C17H15N3O

>  <MolWeight> (105)
277.3205

>  <Cat> (105)
P3267

>  <Name> (105)
WAY-225588

>  <Synonyms> (105)
N/A

>  <Target> (105)
GRK6

>  <Form> (105)
free base

>  <CAS> (105)
6765-52-2

>  <URL> (105)
N/A

$$$$
WAY-312602
csChFnd80/12302109272D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (106)
108

>  <Formula> (106)
C17H17N5O3

>  <MolWeight> (106)
339.34858

>  <Cat> (106)
P3318

>  <Name> (106)
WAY-312602

>  <Synonyms> (106)
N/A

>  <Target> (106)
maternal embryonic leucine zipper kinase

>  <Form> (106)
free base

>  <CAS> (106)
681266-13-7

>  <URL> (106)
N/A

$$$$
WAY-344977
csChFnd80/12302109272D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15 18  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
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 19  4  2  0  0  0  0
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 23 21  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
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 24 25  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (107)
109

>  <Formula> (107)
C17H17ClN4O2S

>  <MolWeight> (107)
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WAY-344977

>  <Synonyms> (107)
N/A

>  <Target> (107)
GSK-3

>  <Form> (107)
free base

>  <CAS> (107)
686743-57-7

>  <URL> (107)
N/A

$$$$
WAY-310507
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (108)
110

>  <Formula> (108)
C11H10N4O2S

>  <MolWeight> (108)
262.2877

>  <Cat> (108)
P3311

>  <Name> (108)
WAY-310507

>  <Synonyms> (108)
N/A

>  <Target> (108)
Anti-infection

>  <Form> (108)
free base

>  <CAS> (108)
686743-93-1

>  <URL> (108)
N/A

$$$$
WAY-310944
csChFnd80/12302109272D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (109)
111

>  <Formula> (109)
C11H10N2O2S2

>  <MolWeight> (109)
266.3393

>  <Cat> (109)
P3313

>  <Name> (109)
WAY-310944

>  <Synonyms> (109)
N/A

>  <Target> (109)
Anti-infection

>  <Form> (109)
free base

>  <CAS> (109)
688335-53-7

>  <URL> (109)
N/A

$$$$
WAY-310334
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (110)
112

>  <Formula> (110)
C14H16N2O2S2

>  <MolWeight> (110)
308.41904

>  <Cat> (110)
P3310

>  <Name> (110)
WAY-310334

>  <Synonyms> (110)
N/A

>  <Target> (110)
mPGES-1,human protein kinase CK2

>  <Form> (110)
free base

>  <CAS> (110)
688335-72-0

>  <URL> (110)
N/A

$$$$
WAY-310819
csChFnd80/12302109272D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (111)
113

>  <Formula> (111)
C15H14BrN5O3S

>  <MolWeight> (111)
424.27236

>  <Cat> (111)
P3312

>  <Name> (111)
WAY-310819

>  <Synonyms> (111)
N/A

>  <Target> (111)
B-Raf

>  <Form> (111)
free base

>  <CAS> (111)
326918-98-3

>  <URL> (111)
N/A

$$$$
CL-59089
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (112)
114

>  <Formula> (112)
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>  <MolWeight> (112)
199.27332

>  <Cat> (112)
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>  <Name> (112)
CL-59089

>  <Synonyms> (112)
N/A

>  <Target> (112)
sirtuin,Rho,CDK

>  <Form> (112)
free base

>  <CAS> (112)
3008-61-5

>  <URL> (112)
N/A

$$$$
WAY-616312
csChFnd80/12302109272D

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 19  3  1  0  0  0  0
 20 14  1  0  0  0  0
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M  END
>  <Mol_ID> (113)
115

>  <Formula> (113)
C18H16Cl2N4O4

>  <MolWeight> (113)
423.25004

>  <Cat> (113)
P3454

>  <Name> (113)
WAY-616312

>  <Synonyms> (113)
N/A

>  <Target> (113)
sirtuin,Rho,CDK

>  <Form> (113)
free base

>  <CAS> (113)
730946-98-2

>  <URL> (113)
N/A

$$$$
WAY-624687
csChFnd80/12302109272D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
 15 17  1  0  0  0  0
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M  END
>  <Mol_ID> (114)
116

>  <Formula> (114)
C13H9N5S2

>  <MolWeight> (114)
299.37406

>  <Cat> (114)
P3465

>  <Name> (114)
WAY-624687

>  <Synonyms> (114)
N/A

>  <Target> (114)
GSK3

>  <Form> (114)
free base

>  <CAS> (114)
753473-65-3

>  <URL> (114)
N/A

$$$$
WAY-330162
csChFnd80/12302109272D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  8  5  1  0  0  0  0
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 10 13  1  0  0  0  0
 11  3  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  2  0  0  0  0
 15  2  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18  6  2  0  0  0  0
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 22 20  1  0  0  0  0
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 24  5  1  0  0  0  0
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 28 22  1  0  0  0  0
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 30 25  1  0  0  0  0
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 29 23  2  0  0  0  0
M  END
>  <Mol_ID> (115)
117

>  <Formula> (115)
C22H26N2O5S

>  <MolWeight> (115)
430.51724

>  <Cat> (115)
P3377

>  <Name> (115)
WAY-330162

>  <Synonyms> (115)
N/A

>  <Target> (115)
Kinase

>  <Form> (115)
free base

>  <CAS> (115)
868963-46-6

>  <URL> (115)
N/A

$$$$
WAY-333883
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
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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
 14 13  2  0  0  0  0
 15  6  2  0  0  0  0
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 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (116)
118

>  <Formula> (116)
C16H16Cl2N4O

>  <MolWeight> (116)
351.23044

>  <Cat> (116)
P3382

>  <Name> (116)
WAY-333883

>  <Synonyms> (116)
N/A

>  <Target> (116)
pyruvate kinase

>  <Form> (116)
free base

>  <CAS> (116)
863448-35-5

>  <URL> (116)
N/A

$$$$
WAY-333875
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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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
 17 13  1  0  0  0  0
 18 22  1  0  0  0  0
 19 12  1  0  0  0  0
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 22 14  2  0  0  0  0
 23 13  1  0  0  0  0
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 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (117)
119

>  <Formula> (117)
C16H16ClFN4O

>  <MolWeight> (117)
334.7758432

>  <Cat> (117)
P3380

>  <Name> (117)
WAY-333875

>  <Synonyms> (117)
N/A

>  <Target> (117)
pyruvate kinase

>  <Form> (117)
free base

>  <CAS> (117)
863448-22-0

>  <URL> (117)
N/A

$$$$
WAY-333878
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (118)
120

>  <Formula> (118)
C18H22N4O

>  <MolWeight> (118)
310.39348

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P3381

>  <Name> (118)
WAY-333878

>  <Synonyms> (118)
N/A

>  <Target> (118)
pyruvate kinase

>  <Form> (118)
free base

>  <CAS> (118)
863448-25-3

>  <URL> (118)
N/A

$$$$
WAY-329412
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (119)
121

>  <Formula> (119)
C27H25N3O3

>  <MolWeight> (119)
439.5057

>  <Cat> (119)
P3365

>  <Name> (119)
WAY-329412

>  <Synonyms> (119)
N/A

>  <Target> (119)
Abl

>  <Form> (119)
free base

>  <CAS> (119)
943932-69-2

>  <URL> (119)
N/A

$$$$
WAY-329689
csChFnd80/12302109272D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (120)
122

>  <Formula> (120)
C29H29N3O4

>  <MolWeight> (120)
483.55826

>  <Cat> (120)
P3376

>  <Name> (120)
WAY-329689

>  <Synonyms> (120)
N/A

>  <Target> (120)
Abl

>  <Form> (120)
free base

>  <CAS> (120)
943934-76-7

>  <URL> (120)
N/A

$$$$
WAY-329424
csChFnd80/12302109272D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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 27 18  1  0  0  0  0
M  END
>  <Mol_ID> (121)
123

>  <Formula> (121)
C24H27N3O3

>  <MolWeight> (121)
405.48948

>  <Cat> (121)
P3367

>  <Name> (121)
WAY-329424

>  <Synonyms> (121)
N/A

>  <Target> (121)
Abl

>  <Form> (121)
free base

>  <CAS> (121)
943933-52-6

>  <URL> (121)
N/A

$$$$
WAY-329686
csChFnd80/12302109272D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
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124

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C25H29N3O3

>  <MolWeight> (122)
419.51606

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P3375

>  <Name> (122)
WAY-329686

>  <Synonyms> (122)
N/A

>  <Target> (122)
Abl

>  <Form> (122)
free base

>  <CAS> (122)
943934-31-4

>  <URL> (122)
N/A

$$$$
WAY-329410
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (123)
125

>  <Formula> (123)
C26H23N3O3

>  <MolWeight> (123)
425.47912

>  <Cat> (123)
P3364

>  <Name> (123)
WAY-329410

>  <Synonyms> (123)
N/A

>  <Target> (123)
Abl

>  <Form> (123)
free base

>  <CAS> (123)
943932-62-5

>  <URL> (123)
N/A

$$$$
WAY-329685
csChFnd80/12302109272D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (124)
126

>  <Formula> (124)
C28H27N3O4

>  <MolWeight> (124)
469.53168

>  <Cat> (124)
P3374

>  <Name> (124)
WAY-329685

>  <Synonyms> (124)
N/A

>  <Target> (124)
Abl

>  <Form> (124)
free base

>  <CAS> (124)
943934-25-6

>  <URL> (124)
N/A

$$$$
WAY-329423
csChFnd80/12302109272D

 29 32  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
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 13  5  2  0  0  0  0
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M  END
>  <Mol_ID> (125)
127

>  <Formula> (125)
C24H27N3O2

>  <MolWeight> (125)
389.49008

>  <Cat> (125)
P3366

>  <Name> (125)
WAY-329423

>  <Synonyms> (125)
N/A

>  <Target> (125)
Abl

>  <Form> (125)
free base

>  <CAS> (125)
943933-49-1

>  <URL> (125)
N/A

$$$$
WAY-329356
csChFnd80/12302109272D

 33 37  0  0  0  0  0  0  0  0999 V2000
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N/A

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Abl

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free base

>  <CAS> (126)
943932-17-0

>  <URL> (126)
N/A

$$$$
WAY-329341
csChFnd80/12302109272D

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>  <Mol_ID> (127)
129

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C28H27N3O3

>  <MolWeight> (127)
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WAY-329341

>  <Synonyms> (127)
N/A

>  <Target> (127)
Abl

>  <Form> (127)
free base

>  <CAS> (127)
943931-29-1

>  <URL> (127)
N/A

$$$$
WAY-329340
csChFnd80/12302109272D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (128)
130

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>  <MolWeight> (128)
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>  <Synonyms> (128)
N/A

>  <Target> (128)
Abl

>  <Form> (128)
free base

>  <CAS> (128)
943931-23-5

>  <URL> (128)
N/A

$$$$
WAY-641918
csChFnd80/12302109272D

 30 33  0  0  0  0  0  0  0  0999 V2000
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131

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>  <MolWeight> (129)
400.46966

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>  <Name> (129)
WAY-641918

>  <Synonyms> (129)
N/A

>  <Target> (129)
TAO kinase

>  <Form> (129)
free base

>  <CAS> (129)
850467-77-5

>  <URL> (129)
N/A

$$$$
WAY-278459-A
csChFnd80/12302109272D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (130)
132

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>  <MolWeight> (130)
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>  <Cat> (130)
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>  <Name> (130)
WAY-278459-A

>  <Synonyms> (130)
N/A

>  <Target> (130)
Plasmodium falciparum Apical Membrane Antige

>  <Form> (130)
free base

>  <CAS> (130)
105512-88-7

>  <URL> (130)
N/A

$$$$
WAY-643895
csChFnd80/12302109272D

 16 17  0  0  0  0  0  0  0  0999 V2000
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   -1.1583    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1542    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4917   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -2.1042    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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  3  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  2  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  2  0  0  0  0
  8  9  2  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (131)
133

>  <Formula> (131)
C11H7N3OS

>  <MolWeight> (131)
229.25778

>  <Cat> (131)
P3503

>  <Name> (131)
WAY-643895

>  <Synonyms> (131)
N/A

>  <Target> (131)
Casein kinase 1¦Ä

>  <Form> (131)
free base

>  <CAS> (131)
851871-94-8

>  <URL> (131)
N/A

$$$$
WAY-278559-A
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.2421    1.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2421    0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1007    1.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9786   -2.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (132)
134

>  <Formula> (132)
C17H23N3O

>  <MolWeight> (132)
285.38402

>  <Cat> (132)
P3294

>  <Name> (132)
WAY-278559-A

>  <Synonyms> (132)
N/A

>  <Target> (132)
ethanolamine kinase

>  <Form> (132)
free base

>  <CAS> (132)
301330-81-4

>  <URL> (132)
N/A

$$$$
WAY-642481
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.4458   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1583   -2.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  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> (133)
135

>  <Formula> (133)
C17H16N2OS

>  <MolWeight> (133)
296.38674

>  <Cat> (133)
P3501

>  <Name> (133)
WAY-642481

>  <Synonyms> (133)
N/A

>  <Target> (133)
CDK

>  <Form> (133)
free base

>  <CAS> (133)
22312-45-4

>  <URL> (133)
N/A

$$$$
WAY-643632-A
csChFnd80/12302109272D

 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
    2.3625   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7917    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2167    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  2  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6  2  2  0  0  0  0
M  END
>  <Mol_ID> (134)
136

>  <Formula> (134)
C11H14N2O2

>  <MolWeight> (134)
206.24106

>  <Cat> (134)
P3502

>  <Name> (134)
WAY-643632-A

>  <Synonyms> (134)
N/A

>  <Target> (134)
SRC kinase,TTX-S channel

>  <Form> (134)
free base

>  <CAS> (134)
500356-88-7

>  <URL> (134)
N/A

$$$$
WAY-616763
csChFnd80/12302109272D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.5083    1.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    2.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  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> (135)
137

>  <Formula> (135)
C18H15Cl2N3O4S

>  <MolWeight> (135)
440.3004

>  <Cat> (135)
P3456

>  <Name> (135)
WAY-616763

>  <Synonyms> (135)
N/A

>  <Target> (135)
Anti-infection

>  <Form> (135)
free base

>  <CAS> (135)
735303-62-5

>  <URL> (135)
N/A

$$$$
WAY-641966
csChFnd80/12302109272D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.2667    0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  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
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 16  8  1  0  0  0  0
 17  8  2  0  0  0  0
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M  END
>  <Mol_ID> (136)
138

>  <Formula> (136)
C20H16N4

>  <MolWeight> (136)
312.36784

>  <Cat> (136)
P3499

>  <Name> (136)
WAY-641966

>  <Synonyms> (136)
N/A

>  <Target> (136)
TGF-¦Â,p38-¦Á

>  <Form> (136)
free base

>  <CAS> (136)
259870-32-1

>  <URL> (136)
N/A

$$$$
WAY-642424
csChFnd80/12302109272D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0  0  0  0
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 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
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 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
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 20 22  2  0  0  0  0
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M  END
>  <Mol_ID> (137)
139

>  <Formula> (137)
C19H14FN5OS

>  <MolWeight> (137)
379.4107632

>  <Cat> (137)
P3500

>  <Name> (137)
WAY-642424

>  <Synonyms> (137)
N/A

>  <Target> (137)
Casein kinase 1¦Ä

>  <Form> (137)
free base

>  <CAS> (137)
851396-73-1

>  <URL> (137)
N/A

$$$$
WAY-329592
csChFnd80/12302109272D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  0  0  0  0
 15 10  1  0  0  0  0
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 17 20  1  0  0  0  0
 18  8  2  0  0  0  0
 19 15  1  0  0  0  0
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 22  7  2  0  0  0  0
 23 10  2  0  0  0  0
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 27  6  1  0  0  0  0
 28  7  1  0  0  0  0
 29 17  1  0  0  0  0
 30 21  1  0  0  0  0
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 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (138)
140

>  <Formula> (138)
C22H25BrN2O4S

>  <MolWeight> (138)
493.4139

>  <Cat> (138)
P3368

>  <Name> (138)
WAY-329592

>  <Synonyms> (138)
N/A

>  <Target> (138)
tyrosine kinase

>  <Form> (138)
free base

>  <CAS> (138)
868963-53-5

>  <URL> (138)
N/A

$$$$
WAY-333939
csChFnd80/12302109272D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
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 21 14  1  0  0  0  0
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 20 18  2  0  0  0  0
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M  END
>  <Mol_ID> (139)
141

>  <Formula> (139)
C19H21N5O2

>  <MolWeight> (139)
351.40234

>  <Cat> (139)
P3384

>  <Name> (139)
WAY-333939

>  <Synonyms> (139)
N/A

>  <Target> (139)
Anti-infection

>  <Form> (139)
free base

>  <CAS> (139)
689268-14-2

>  <URL> (139)
N/A

$$$$
WAY-333908
csChFnd80/12302109272D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  2  0  0  0  0
 14 10  2  0  0  0  0
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 16 10  1  0  0  0  0
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  4  3  1  0  0  0  0
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 25 24  2  0  0  0  0
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M  END
>  <Mol_ID> (140)
142

>  <Formula> (140)
C17H12N6O2

>  <MolWeight> (140)
332.31618

>  <Cat> (140)
P3383

>  <Name> (140)
WAY-333908

>  <Synonyms> (140)
N/A

>  <Target> (140)
others

>  <Form> (140)
free base

>  <CAS> (140)
689269-24-7

>  <URL> (140)
N/A

$$$$
WAY-333945
csChFnd80/12302109272D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (141)
143

>  <Formula> (141)
C17H13N5O2S

>  <MolWeight> (141)
351.38242

>  <Cat> (141)
P3385

>  <Name> (141)
WAY-333945

>  <Synonyms> (141)
N/A

>  <Target> (141)
Anti-infection

>  <Form> (141)
free base

>  <CAS> (141)
689273-45-8

>  <URL> (141)
N/A

$$$$
WAY-616584
csChFnd80/12302109272D

 22 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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 22 21  1  0  0  0  0
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 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (142)
144

>  <Formula> (142)
C16H13N3O2S

>  <MolWeight> (142)
311.35832

>  <Cat> (142)
P3455

>  <Name> (142)
WAY-616584

>  <Synonyms> (142)
N/A

>  <Target> (142)
Casein kinase 1¦Ä

>  <Form> (142)
free base

>  <CAS> (142)
695223-53-1

>  <URL> (142)
N/A

$$$$
WAY-625530
csChFnd80/12302109272D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
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 14  3  2  0  0  0  0
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 16  7  1  0  0  0  0
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M  END
>  <Mol_ID> (143)
145

>  <Formula> (143)
C22H18ClFN2O3

>  <MolWeight> (143)
412.8413232

>  <Cat> (143)
P3466

>  <Name> (143)
WAY-625530

>  <Synonyms> (143)
N/A

>  <Target> (143)
FGFR1

>  <Form> (143)
free base

>  <CAS> (143)
956782-57-3

>  <URL> (143)
N/A

$$$$
WAY-625741
csChFnd80/12302109272D

 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> (144)
146

>  <Formula> (144)
C16H13N3O4S

>  <MolWeight> (144)
343.35712

>  <Cat> (144)
P3467

>  <Name> (144)
WAY-625741

>  <Synonyms> (144)
N/A

>  <Target> (144)
Casein kinase 1d

>  <Form> (144)
free base

>  <CAS> (144)
756857-71-3

>  <URL> (144)
N/A

$$$$
WAY-626116
csChFnd80/12302109272D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (145)
147

>  <Formula> (145)
C20H14FN3O4S2

>  <MolWeight> (145)
443.4712632

>  <Cat> (145)
P3468

>  <Name> (145)
WAY-626116

>  <Synonyms> (145)
N/A

>  <Target> (145)
Casein kinase 1d

>  <Form> (145)
free base

>  <CAS> (145)
753468-25-6

>  <URL> (145)
N/A

$$$$
WAY-273170
csChFnd80/12302109272D

 27 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (146)
148

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C19H13ClN4O2S

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WAY-273170

>  <Synonyms> (146)
N/A

>  <Target> (146)
Myt1

>  <Form> (146)
free base

>  <CAS> (146)
478247-52-8

>  <URL> (146)
N/A

$$$$
WAY-277054
csChFnd80/12302109272D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (147)
149

>  <Formula> (147)
C16H11ClFN3OS2

>  <MolWeight> (147)
379.8594432

>  <Cat> (147)
P3290

>  <Name> (147)
WAY-277054

>  <Synonyms> (147)
N/A

>  <Target> (147)
tyrosine kinase

>  <Form> (147)
free base

>  <CAS> (147)
753467-39-9?

>  <URL> (147)
N/A

$$$$
WAY-336715
csChFnd80/12302109272D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0  0  0  0
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M  END
>  <Mol_ID> (148)
150

>  <Formula> (148)
C21H20N4OS

>  <MolWeight> (148)
376.4747

>  <Cat> (148)
P3386

>  <Name> (148)
WAY-336715

>  <Synonyms> (148)
N/A

>  <Target> (148)
CDK8

>  <Form> (148)
free base

>  <CAS> (148)
451458-32-5

>  <URL> (148)
N/A

$$$$
WAY-337647
csChFnd80/12302109272D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 14  2  2  0  0  0  0
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M  END
>  <Mol_ID> (149)
151

>  <Formula> (149)
C15H12ClNO4

>  <MolWeight> (149)
305.71308

>  <Cat> (149)
P3387

>  <Name> (149)
WAY-337647

>  <Synonyms> (149)
N/A

>  <Target> (149)
f mitogen-activated protein kinase kinase 4

>  <Form> (149)
free base

>  <CAS> (149)
1402605-80-4

>  <URL> (149)
N/A

$$$$
WAY-612453
csChFnd80/12302109272D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (150)
152

>  <Formula> (150)
C9H8Cl2N4S

>  <MolWeight> (150)
275.15762

>  <Cat> (150)
P3446

>  <Name> (150)
WAY-612453

>  <Synonyms> (150)
N/A

>  <Target> (150)
Anti-infection

>  <Form> (150)
free base

>  <CAS> (150)
300809-10-3

>  <URL> (150)
N/A

$$$$
WAY-612622
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 14 12  2  0  0  0  0
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M  END
>  <Mol_ID> (151)
153

>  <Formula> (151)
C16H11FN2O2

>  <MolWeight> (151)
282.2691432

>  <Cat> (151)
P3447

>  <Name> (151)
WAY-612622

>  <Synonyms> (151)
N/A

>  <Target> (151)
CDK

>  <Form> (151)
free base

>  <CAS> (151)
288401-60-5

>  <URL> (151)
N/A

$$$$
WAY-612698
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15  6  1  0  0  0  0
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M  END
>  <Mol_ID> (152)
154

>  <Formula> (152)
C17H19NO4S

>  <MolWeight> (152)
333.40206

>  <Cat> (152)
P3448

>  <Name> (152)
WAY-612698

>  <Synonyms> (152)
N/A

>  <Target> (152)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (152)
free base

>  <CAS> (152)
565191-45-9

>  <URL> (152)
N/A

$$$$
WAY-612763
csChFnd80/12302109272D

 33 35  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 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
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 20  4  2  0  0  0  0
 21  9  2  0  0  0  0
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 27  1  1  0  0  0  0
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 30 24  2  0  0  0  0
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M  END
>  <Mol_ID> (153)
155

>  <Formula> (153)
C21H15ClF3N3O5

>  <MolWeight> (153)
481.8091096

>  <Cat> (153)
P3449

>  <Name> (153)
WAY-612763

>  <Synonyms> (153)
N/A

>  <Target> (153)
YycG histidine kinase

>  <Form> (153)
free base

>  <CAS> (153)
479060-67-8

>  <URL> (153)
N/A

$$$$
WAY-630308
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  8 11  1  0  0  0  0
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 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
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 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (154)
156

>  <Formula> (154)
C16H21N3O3

>  <MolWeight> (154)
303.35624

>  <Cat> (154)
P3469

>  <Name> (154)
WAY-630308

>  <Synonyms> (154)
N/A

>  <Target> (154)
Casein kinase 1¦Ä

>  <Form> (154)
free base

>  <CAS> (154)
326034-30-4

>  <URL> (154)
N/A

$$$$
WAY-630363
csChFnd80/12302109272D

 26 29  0  0  0  0  0  0  0  0999 V2000
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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
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  3  5  1  0  0  0  0
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 26 25  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (155)
157

>  <Formula> (155)
C19H15N3O3S

>  <MolWeight> (155)
365.4057

>  <Cat> (155)
P3470

>  <Name> (155)
WAY-630363

>  <Synonyms> (155)
N/A

>  <Target> (155)
Casein kinase 1¦Ä

>  <Form> (155)
free base

>  <CAS> (155)
729579-66-2

>  <URL> (155)
N/A

$$$$
WAY-647361
csChFnd80/12302109272D

 14 15  0  0  0  0  0  0  0  0999 V2000
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N/A

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 PI3K

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free base

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852399-94-1

>  <URL> (156)
N/A

$$$$
WAY-647636
csChFnd80/12302109272D

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N/A

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Casein kinase 1¦Ä

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free base

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556055-08-4

>  <URL> (157)
N/A

$$$$
WAY-647729
csChFnd80/12302109272D

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>  <Mol_ID> (158)
160

>  <Formula> (158)
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>  <MolWeight> (158)
293.34304

>  <Cat> (158)
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>  <Name> (158)
WAY-647729

>  <Synonyms> (158)
N/A

>  <Target> (158)
CDK

>  <Form> (158)
free base

>  <CAS> (158)
852678-17-2

>  <URL> (158)
N/A

$$$$
WAY-647766
csChFnd80/12302109272D

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>  <Mol_ID> (159)
161

>  <Formula> (159)
C16H12N6S

>  <MolWeight> (159)
320.37168

>  <Cat> (159)
P3507

>  <Name> (159)
WAY-647766

>  <Synonyms> (159)
N/A

>  <Target> (159)
Casein kinase 1¦Ä

>  <Form> (159)
free base

>  <CAS> (159)
851168-98-4

>  <URL> (159)
N/A

$$$$
WAY-647802
csChFnd80/12302109272D

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>  <Mol_ID> (160)
162

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>  <Name> (160)
WAY-647802

>  <Synonyms> (160)
N/A

>  <Target> (160)
EGFR,CDK4 and 6

>  <Form> (160)
free base

>  <CAS> (160)
852225-20-8

>  <URL> (160)
N/A

$$$$
WAY-648936
csChFnd80/12302109272D

 18 20  0  0  0  0  0  0  0  0999 V2000
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N/A

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free base

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801244-46-2

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N/A

$$$$
WL-300778
csChFnd80/12302109272D

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N/A

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WAY-333175
csChFnd80/12302109272D

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WAY-333184
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WAY-643018
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WAY-332616
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M  END
>  <Mol_ID> (167)
169

>  <Formula> (167)
C16H15NO3S

>  <MolWeight> (167)
301.3602

>  <Cat> (167)
P3708

>  <Name> (167)
WAY-332616

>  <Synonyms> (167)
N/A

>  <Target> (167)
pyruvate kinase

>  <Form> (167)
free base

>  <CAS> (167)
904457-46-1

>  <URL> (167)
N/A

$$$$
WAY-332647
csChFnd80/12302109272D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
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 13  5  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  2  0  0  0  0
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 10  7  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (168)
170

>  <Formula> (168)
C19H21NO3S

>  <MolWeight> (168)
343.43994

>  <Cat> (168)
P3767

>  <Name> (168)
WAY-332647

>  <Synonyms> (168)
N/A

>  <Target> (168)
pyruvate kinase

>  <Form> (168)
free base

>  <CAS> (168)
902516-53-4

>  <URL> (168)
N/A

$$$$
WAY-624704
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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 21  8  1  0  0  0  0
 22  8  2  0  0  0  0
 23 18  1  0  0  0  0
  6  3  2  0  0  0  0
 10 19  1  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (169)
171

>  <Formula> (169)
C17H15N3O2S

>  <MolWeight> (169)
325.3849

>  <Cat> (169)
P3766

>  <Name> (169)
WAY-624704

>  <Synonyms> (169)
N/A

>  <Target> (169)
ROCK

>  <Form> (169)
free base

>  <CAS> (169)
692869-38-8

>  <URL> (169)
N/A

$$$$
WAY-625135
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  2  0  0  0  0
 17 18  1  0  0  0  0
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 20 19  1  0  0  0  0
 15 14  2  0  0  0  0
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 17 12  2  0  0  0  0
M  END
>  <Mol_ID> (170)
172

>  <Formula> (170)
C14H12N2O3S

>  <MolWeight> (170)
288.32168

>  <Cat> (170)
P3707

>  <Name> (170)
WAY-625135

>  <Synonyms> (170)
N/A

>  <Target> (170)
Casein kinase 1¦Ä

>  <Form> (170)
free base

>  <CAS> (170)
756865-45-9

>  <URL> (170)
N/A

$$$$
WAY-626309
csChFnd80/12302109272D

 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> (171)
173

>  <Formula> (171)
C19H16N2O2S

>  <MolWeight> (171)
336.40754

>  <Cat> (171)
P3765

>  <Name> (171)
WAY-626309

>  <Synonyms> (171)
N/A

>  <Target> (171)
c-Jun N-terminal kinase

>  <Form> (171)
free base

>  <CAS> (171)
756849-36-2

>  <URL> (171)
N/A

$$$$
WAY-646458
csChFnd80/12302109272D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (172)
174

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C16H10N2O2

>  <MolWeight> (172)
262.2628

>  <Cat> (172)
P3706

>  <Name> (172)
WAY-646458

>  <Synonyms> (172)
N/A

>  <Target> (172)
Casein kinase 1d

>  <Form> (172)
free base

>  <CAS> (172)
852413-92-4

>  <URL> (172)
N/A

$$$$
WAY-313318
csChFnd80/12302109272D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (173)
175

>  <Formula> (173)
C13H10Cl2N4

>  <MolWeight> (173)
293.1513

>  <Cat> (173)
P3734

>  <Name> (173)
WAY-313318

>  <Synonyms> (173)
N/A

>  <Target> (173)
RSK2

>  <Form> (173)
free base

>  <CAS> (173)
351993-88-9

>  <URL> (173)
N/A

$$$$
WAY-239448
csChFnd80/12302109272D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (174)
176

>  <Formula> (174)
C11H12N2S2

>  <MolWeight> (174)
236.35638

>  <Cat> (174)
P3683

>  <Name> (174)
WAY-239448

>  <Synonyms> (174)
N/A

>  <Target> (174)
CK2,Anti-infection

>  <Form> (174)
free base

>  <CAS> (174)
314260-78-1

>  <URL> (174)
N/A

$$$$
WAY-299562
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (175)
177

>  <Formula> (175)
C16H13NO3

>  <MolWeight> (175)
267.27932

>  <Cat> (175)
P3698

>  <Name> (175)
WAY-299562

>  <Synonyms> (175)
N/A

>  <Target> (175)
PKA,AKAP

>  <Form> (175)
free base

>  <CAS> (175)
299934-88-6

>  <URL> (175)
N/A

$$$$
WAY-300507
csChFnd80/12302109272D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
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 13  1  1  0  0  0  0
 14  9  2  0  0  0  0
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 16  7  2  0  0  0  0
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M  END
>  <Mol_ID> (176)
178

>  <Formula> (176)
C18H15NO3S2

>  <MolWeight> (176)
357.4466

>  <Cat> (176)
P3774

>  <Name> (176)
WAY-300507

>  <Synonyms> (176)
N/A

>  <Target> (176)
beta-catenin,MKK4

>  <Form> (176)
free base

>  <CAS> (176)
301688-74-4

>  <URL> (176)
N/A

$$$$
WAY-301524-A
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (177)
179

>  <Formula> (177)
C15H13N3O2S

>  <MolWeight> (177)
299.34762

>  <Cat> (177)
P3725

>  <Name> (177)
WAY-301524-A

>  <Synonyms> (177)
N/A

>  <Target> (177)
CK2

>  <Form> (177)
free base

>  <CAS> (177)
474263-21-3

>  <URL> (177)
N/A

$$$$
WAY-301527
csChFnd80/12302109272D

 22 25  0  0  0  0  0  0  0  0999 V2000
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N/A

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N/A

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WAY-310410
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N/A

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WAY-297152
csChFnd80/12302109272D

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N/A

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WAY-297674
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free base

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N/A

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WAY-298630
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M  END
>  <Mol_ID> (184)
186

>  <Formula> (184)
C17H15FN2O3S

>  <MolWeight> (184)
346.3760032

>  <Cat> (184)
P3754

>  <Name> (184)
WAY-298630

>  <Synonyms> (184)
N/A

>  <Target> (184)
PDK1

>  <Form> (184)
free base

>  <CAS> (184)
303134-93-2

>  <URL> (184)
N/A

$$$$
WAY-299017
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (185)
187

>  <Formula> (185)
C17H14N2O3

>  <MolWeight> (185)
294.30466

>  <Cat> (185)
P3730

>  <Name> (185)
WAY-299017

>  <Synonyms> (185)
N/A

>  <Target> (185)
PI3Ka

>  <Form> (185)
free base

>  <CAS> (185)
300803-79-6

>  <URL> (185)
N/A

$$$$
WAY-299359
csChFnd80/12302109272D

 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
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 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> (186)
188

>  <Formula> (186)
C14H18N2O3S

>  <MolWeight> (186)
294.36932

>  <Cat> (186)
P3729

>  <Name> (186)
WAY-299359

>  <Synonyms> (186)
N/A

>  <Target> (186)
FLT3, Tubulin

>  <Form> (186)
free base

>  <CAS> (186)
1005057-81-7

>  <URL> (186)
N/A

$$$$
WAY-117443
csChFnd80/12302109272D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
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 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
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 14  6  2  0  0  0  0
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  8 10  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (187)
189

>  <Formula> (187)
C19H18O5

>  <MolWeight> (187)
326.34322

>  <Cat> (187)
P3752

>  <Name> (187)
WAY-117443

>  <Synonyms> (187)
N/A

>  <Target> (187)
GRK6,DOPA decarboxylase

>  <Form> (187)
free base

>  <CAS> (187)
1164562-43-9

>  <URL> (187)
N/A

$$$$
WAY-304191
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (188)
190

>  <Formula> (188)
C18H25NO2

>  <MolWeight> (188)
287.3966

>  <Cat> (188)
P3745

>  <Name> (188)
WAY-304191

>  <Synonyms> (188)
N/A

>  <Target> (188)
FLT3 receptor

>  <Form> (188)
free base

>  <CAS> (188)
510724-22-8

>  <URL> (188)
N/A

$$$$
WAY-226683
csChFnd80/12302109272D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (189)
191

>  <Formula> (189)
C14H14N2O3

>  <MolWeight> (189)
258.27256

>  <Cat> (189)
P3697

>  <Name> (189)
WAY-226683

>  <Synonyms> (189)
N/A

>  <Target> (189)
Rho

>  <Form> (189)
free base

>  <CAS> (189)
309736-94-5

>  <URL> (189)
N/A

$$$$
WAY-306955
csChFnd80/12302109272D

 22 25  0  0  0  0  0  0  0  0999 V2000
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N/A

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WAY-312858
csChFnd80/12302109272D

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WAY-278705
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WAY-663387
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N/A

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WAY-644841
csChFnd80/12302109272D

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199

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IRAK4,AR

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free base

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850021-27-1

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N/A

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WAY-273339
csChFnd80/12302109272D

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>  <Mol_ID> (197)
200

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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> (197)
N/A

$$$$
WAY-277364
csChFnd80/12302109272D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (198)
201

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C20H17FN4O

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348.3735832

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P3764

>  <Name> (198)
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>  <Synonyms> (198)
N/A

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Akt

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free base

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771498-80-7

>  <URL> (198)
N/A

$$$$
WAY-337530
csChFnd80/12302109272D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 13  7  2  0  0  0  0
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 15  8  1  0  0  0  0
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>  <Mol_ID> (199)
202

>  <Formula> (199)
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>  <MolWeight> (199)
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>  <Cat> (199)
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>  <Name> (199)
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>  <Synonyms> (199)
N/A

>  <Target> (199)
CLK-1

>  <Form> (199)
free base

>  <CAS> (199)
332939-29-4

>  <URL> (199)
N/A

$$$$
WAY-337532
csChFnd80/12302109272D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (200)
203

>  <Formula> (200)
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>  <MolWeight> (200)
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>  <Cat> (200)
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>  <Name> (200)
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>  <Synonyms> (200)
N/A

>  <Target> (200)
CLK-1

>  <Form> (200)
free base

>  <CAS> (200)
332939-49-8

>  <URL> (200)
N/A

$$$$
WAY-628644
csChFnd80/12302109272D

 16 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (201)
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>  <Cat> (201)
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>  <Synonyms> (201)
N/A

>  <Target> (201)
p38

>  <Form> (201)
free base

>  <CAS> (201)
377760-40-2

>  <URL> (201)
N/A

$$$$
WAY-270250
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (202)
205

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C18H16N2O2

>  <MolWeight> (202)
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P3705

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WAY-270250

>  <Synonyms> (202)
N/A

>  <Target> (202)
IGF-1R,SRC

>  <Form> (202)
free base

>  <CAS> (202)
852367-46-5

>  <URL> (202)
N/A

$$$$
WAY-270252
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (203)
206

>  <Formula> (203)
C17H13ClN2O2

>  <MolWeight> (203)
312.75032

>  <Cat> (203)
P3738

>  <Name> (203)
WAY-270252

>  <Synonyms> (203)
N/A

>  <Target> (203)
IGF-1R,SRC

>  <Form> (203)
free base

>  <CAS> (203)
61-38-1

>  <URL> (203)
N/A

$$$$
WAY-271127
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (204)
207

>  <Formula> (204)
C16H16FN3O2

>  <MolWeight> (204)
301.3155432

>  <Cat> (204)
P3704

>  <Name> (204)
WAY-271127

>  <Synonyms> (204)
N/A

>  <Target> (204)
MtSk

>  <Form> (204)
free base

>  <CAS> (204)
500149-26-8

>  <URL> (204)
N/A

$$$$
WAY-615145
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (205)
208

>  <Formula> (205)
C16H18N2OS

>  <MolWeight> (205)
286.39192

>  <Cat> (205)
P3761

>  <Name> (205)
WAY-615145

>  <Synonyms> (205)
N/A

>  <Target> (205)
glucokinase

>  <Form> (205)
free base

>  <CAS> (205)
536736-95-5

>  <URL> (205)
N/A

$$$$
WAY-613982
csChFnd80/12302109272D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (206)
209

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>  <MolWeight> (206)
252.35578

>  <Cat> (206)
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>  <Name> (206)
WAY-613982

>  <Synonyms> (206)
N/A

>  <Target> (206)
CK2

>  <Form> (206)
free base

>  <CAS> (206)
330449-39-3

>  <URL> (206)
N/A

$$$$
WAY-650334
csChFnd80/12302109272D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (207)
210

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WAY-650334

>  <Synonyms> (207)
N/A

>  <Target> (207)
MAP2K4

>  <Form> (207)
free base

>  <CAS> (207)
847773-02-8

>  <URL> (207)
N/A

$$$$
GI-570482
csChFnd80/12302109272D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (208)
211

>  <Formula> (208)
C13H14N2O3S

>  <MolWeight> (208)
278.32686

>  <Cat> (208)
P3703

>  <Name> (208)
GI-570482

>  <Synonyms> (208)
N/A

>  <Target> (208)
ExoS ADPRT,MET,USP14

>  <Form> (208)
free base

>  <CAS> (208)
109164-47-8

>  <URL> (208)
N/A

$$$$
WAY-272160
csChFnd80/12302109272D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (209)
212

>  <Formula> (209)
C18H13ClN2O3

>  <MolWeight> (209)
340.76042

>  <Cat> (209)
P3737

>  <Name> (209)
WAY-272160

>  <Synonyms> (209)
N/A

>  <Target> (209)
 topoisomerase II,HER2

>  <Form> (209)
free base

>  <CAS> (209)
489413-54-9

>  <URL> (209)
N/A

$$$$
WAY-320461
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 10 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (210)
213

>  <Formula> (210)
C15H10BrN3O2S

>  <MolWeight> (210)
376.2278

>  <Cat> (210)
P3760

>  <Name> (210)
WAY-320461

>  <Synonyms> (210)
N/A

>  <Target> (210)
FAK

>  <Form> (210)
free base

>  <CAS> (210)
491839-65-7

>  <URL> (210)
N/A

$$$$
WAY-603392
csChFnd80/12302109272D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 11  8  1  0  0  0  0
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M  END
>  <Mol_ID> (211)
214

>  <Formula> (211)
C11H16N2O3S

>  <MolWeight> (211)
256.32134

>  <Cat> (211)
P3685

>  <Name> (211)
WAY-603392

>  <Synonyms> (211)
N/A

>  <Target> (211)
AKT(PKB) phosphorylation,ion channel

>  <Form> (211)
free base

>  <CAS> (211)
329906-01-6

>  <URL> (211)
N/A

$$$$
WAY-321341
csChFnd80/12302109272D

 29 33  0  0  0  0  0  0  0  0999 V2000
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 17  8  1  0  0  0  0
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M  END
>  <Mol_ID> (212)
215

>  <Formula> (212)
C24H22N4O

>  <MolWeight> (212)
382.45768

>  <Cat> (212)
P3759

>  <Name> (212)
WAY-321341

>  <Synonyms> (212)
N/A

>  <Target> (212)
SYK,Immunology & Inflammation related

>  <Form> (212)
free base

>  <CAS> (212)
314027-66-2

>  <URL> (212)
N/A

$$$$
WAY-322243
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (213)
216

>  <Formula> (213)
C18H18N2O2S

>  <MolWeight> (213)
326.41272

>  <Cat> (213)
P3736

>  <Name> (213)
WAY-322243

>  <Synonyms> (213)
N/A

>  <Target> (213)
CLK-1

>  <Form> (213)
free base

>  <CAS> (213)
332939-32-9

>  <URL> (213)
N/A

$$$$
WAY-322475
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (214)
217

>  <Formula> (214)
C15H15N5

>  <MolWeight> (214)
265.3131

>  <Cat> (214)
P3691

>  <Name> (214)
WAY-322475

>  <Synonyms> (214)
N/A

>  <Target> (214)
GRK6,SUMOylation

>  <Form> (214)
free base

>  <CAS> (214)
300731-73-1

>  <URL> (214)
N/A

$$$$
WAY-313218
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 13 15  2  0  0  0  0
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M  END
>  <Mol_ID> (215)
218

>  <Formula> (215)
C19H20FNO

>  <MolWeight> (215)
297.3666032

>  <Cat> (215)
P3321

>  <Name> (215)
WAY-313218

>  <Synonyms> (215)
N/A

>  <Target> (215)
11¦Â-HSD1 

>  <Form> (215)
free base

>  <CAS> (215)
260428-69-1

>  <URL> (215)
N/A

$$$$
WAY-313013
csChFnd80/12302109272D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (216)
219

>  <Formula> (216)
C12H14BrNO2

>  <MolWeight> (216)
284.14906

>  <Cat> (216)
P3319

>  <Name> (216)
WAY-313013

>  <Synonyms> (216)
N/A

>  <Target> (216)
p38,histamine-3 (H3) receptor

>  <Form> (216)
free base

>  <CAS> (216)
326898-76-4

>  <URL> (216)
N/A

$$$$
GI-560708
csChFnd80/12302109272D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (217)
220

>  <Formula> (217)
C20H18N4O2

>  <MolWeight> (217)
346.38252

>  <Cat> (217)
P3258

>  <Name> (217)
GI-560708

>  <Synonyms> (217)
N/A

>  <Target> (217)
BCR-ABL 

>  <Form> (217)
free base

>  <CAS> (217)
2362-25-6

>  <URL> (217)
N/A

$$$$
WAY-345438
csChFnd80/12302109272D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9 11  3  0  0  0  0
 10  3  2  0  0  0  0
 11 14  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14 22  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17  5  1  0  0  0  0
 18 20  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 16  2  0  0  0  0
 24 16  1  0  0  0  0
 25  6  1  0  0  0  0
 26 18  1  0  0  0  0
 27 26  1  0  0  0  0
 28 17  2  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
 18 19  2  0  0  0  0
  4  6  1  0  0  0  0
 29 25  2  0  0  0  0
 14 21  2  0  0  0  0
M  END
>  <Mol_ID> (218)
221

>  <Formula> (218)
C24H19N3O2S

>  <MolWeight> (218)
413.49156

>  <Cat> (218)
P3390

>  <Name> (218)
WAY-345438

>  <Synonyms> (218)
N/A

>  <Target> (218)
Casein kinase 1¦Ä

>  <Form> (218)
free base

>  <CAS> (218)
571174-12-4

>  <URL> (218)
N/A

$$$$
WAY-311066
csChFnd80/12302109272D

 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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    1.0552    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1897    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6345    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (219)
222

>  <Formula> (219)
C21H17N3O3

>  <MolWeight> (219)
359.37798

>  <Cat> (219)
P3314

>  <Name> (219)
WAY-311066

>  <Synonyms> (219)
N/A

>  <Target> (219)
Casein kinase 1¦Ä

>  <Form> (219)
free base

>  <CAS> (219)
332074-85-8

>  <URL> (219)
N/A

$$$$
WAY-312567
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.5101    0.2860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3688    0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0101    1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1895   -0.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3688    1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5101    1.7274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.0105   -1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    2.2519   -1.2933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (220)
223

>  <Formula> (220)
C16H20N2O2S

>  <MolWeight> (220)
304.4072

>  <Cat> (220)
P3317

>  <Name> (220)
WAY-312567

>  <Synonyms> (220)
N/A

>  <Target> (220)
Anti-infection

>  <Form> (220)
free base

>  <CAS> (220)
330955-59-4

>  <URL> (220)
N/A

$$$$
WAY-312157
csChFnd80/12302109272D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.7172    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2655    1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    0.5172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793    3.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    1.3345   -2.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -2.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -3.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    3.8034   -3.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (221)
224

>  <Formula> (221)
C14H18N2O2S

>  <MolWeight> (221)
278.36992

>  <Cat> (221)
P3316

>  <Name> (221)
WAY-312157

>  <Synonyms> (221)
N/A

>  <Target> (221)
ATP-utilizing enzyme

>  <Form> (221)
free base

>  <CAS> (221)
354544-70-0

>  <URL> (221)
N/A

$$$$
WAY-114228
csChFnd80/12302109272D

 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
    6.0722    2.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   12.1682    4.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3733    4.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5841    2.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5841    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  3  5  1  0  0  0  0
 13 14  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (222)
225

>  <Formula> (222)
C21H23NO

>  <MolWeight> (222)
305.41342

>  <Cat> (222)
P3264

>  <Name> (222)
WAY-114228

>  <Synonyms> (222)
N/A

>  <Target> (222)
MEK1

>  <Form> (222)
free base

>  <CAS> (222)
333325-96-5

>  <URL> (222)
N/A

$$$$
WAY-239320
csChFnd80/12302109272D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.0556    2.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0556    4.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    4.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    2.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    4.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    2.0834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8830    4.1745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8430    2.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8830    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2929    6.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8830    6.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0803    6.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1143    9.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6841    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  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
  8  6  2  0  0  0  0
  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
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M  END
>  <Mol_ID> (223)
226

>  <Formula> (223)
C22H21N3O4

>  <MolWeight> (223)
391.41984

>  <Cat> (223)
P3268

>  <Name> (223)
WAY-239320

>  <Synonyms> (223)
N/A

>  <Target> (223)
Chk1,Aurora kinase,Adenosine Kinase

>  <Form> (223)
free base

>  <CAS> (223)
378775-98-5

>  <URL> (223)
N/A

$$$$
WAY-248134
csChFnd80/12302109272D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (224)
227

>  <Formula> (224)
C10H11N3OS

>  <MolWeight> (224)
221.27884

>  <Cat> (224)
P3270

>  <Name> (224)
WAY-248134

>  <Synonyms> (224)
N/A

>  <Target> (224)
LIMK1£¬IKK¦Â

>  <Form> (224)
free base

>  <CAS> (224)
67795-42-0

>  <URL> (224)
N/A

$$$$
WAY-296817
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (225)
228

>  <Formula> (225)
C17H16N2O3S

>  <MolWeight> (225)
328.38554

>  <Cat> (225)
P3296

>  <Name> (225)
WAY-296817

>  <Synonyms> (225)
N/A

>  <Target> (225)
casein kinase 1

>  <Form> (225)
free base

>  <CAS> (225)
349438-74-0

>  <URL> (225)
N/A

$$$$
WAY-296818
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
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 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> (226)
229

>  <Formula> (226)
C17H16N2O2S

>  <MolWeight> (226)
312.38614

>  <Cat> (226)
P3297

>  <Name> (226)
WAY-296818

>  <Synonyms> (226)
N/A

>  <Target> (226)
casein kinase 1

>  <Form> (226)
free base

>  <CAS> (226)
349438-77-3

>  <URL> (226)
N/A

$$$$
WAY-635764
csChFnd80/12302109272D

 31 33  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
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 10  4  1  0  0  0  0
 11 25  1  0  0  0  0
 12  2  2  0  0  0  0
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 14  3  2  0  0  0  0
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 18 24  1  0  0  0  0
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 21  8  1  0  0  0  0
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 27  9  1  0  0  0  0
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 31 22  1  0  0  0  0
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 23  9  1  0  0  0  0
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M  END
>  <Mol_ID> (227)
230

>  <Formula> (227)
C23H31N3O5

>  <MolWeight> (227)
429.50934

>  <Cat> (227)
P3487

>  <Name> (227)
WAY-635764

>  <Synonyms> (227)
N/A

>  <Target> (227)
Aurora kinase A

>  <Form> (227)
free base

>  <CAS> (227)
790267-88-8

>  <URL> (227)
N/A

$$$$
WAY-271146
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
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 20  9  2  0  0  0  0
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M  END
>  <Mol_ID> (228)
231

>  <Formula> (228)
C16H9N3O3

>  <MolWeight> (228)
291.26096

>  <Cat> (228)
P3280

>  <Name> (228)
WAY-271146

>  <Synonyms> (228)
N/A

>  <Target> (228)
VEGFR

>  <Form> (228)
free base

>  <CAS> (228)
683235-33-8

>  <URL> (228)
N/A

$$$$
WAY-271147
csChFnd80/12302109272D

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232

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C17H12N2O4

>  <MolWeight> (229)
308.28818

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P3281

>  <Name> (229)
WAY-271147

>  <Synonyms> (229)
N/A

>  <Target> (229)
VEGFR

>  <Form> (229)
free base

>  <CAS> (229)
683235-34-9

>  <URL> (229)
N/A

$$$$
WAY-600632
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (230)
233

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C14H9N3O2S2

>  <MolWeight> (230)
315.37016

>  <Cat> (230)
P3423

>  <Name> (230)
WAY-600632

>  <Synonyms> (230)
N/A

>  <Target> (230)
Casein kinase 1¦Ä

>  <Form> (230)
free base

>  <CAS> (230)
438018-70-3

>  <URL> (230)
N/A

$$$$
WAY-601258
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 13  9  1  0  0  0  0
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (231)
234

>  <Formula> (231)
C13H12N4OS2

>  <MolWeight> (231)
304.39058

>  <Cat> (231)
P3428

>  <Name> (231)
WAY-601258

>  <Synonyms> (231)
N/A

>  <Target> (231)
Anti-infection

>  <Form> (231)
free base

>  <CAS> (231)
496023-52-0

>  <URL> (231)
N/A

$$$$
WAY-601323
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (232)
235

>  <Formula> (232)
C16H18N4O2

>  <MolWeight> (232)
298.33972

>  <Cat> (232)
P3429

>  <Name> (232)
WAY-601323

>  <Synonyms> (232)
N/A

>  <Target> (232)
CDK9 

>  <Form> (232)
free base

>  <CAS> (232)
324778-48-5

>  <URL> (232)
N/A

$$$$
WAY-600704-A
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
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 15  6  1  0  0  0  0
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M  END
>  <Mol_ID> (233)
236

>  <Formula> (233)
C17H22N2O

>  <MolWeight> (233)
270.36938

>  <Cat> (233)
P3424

>  <Name> (233)
WAY-600704

>  <Synonyms> (233)
N/A

>  <Target> (233)
ethanolamine kinase

>  <Form> (233)
free base

>  <CAS> (233)
301330-94-9

>  <URL> (233)
N/A

$$$$
WAY-600868
csChFnd80/12302109272D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (234)
237

>  <Formula> (234)
C13H9FN2S

>  <MolWeight> (234)
244.2873632

>  <Cat> (234)
P3425

>  <Name> (234)
WAY-600868

>  <Synonyms> (234)
N/A

>  <Target> (234)
FGFR3

>  <Form> (234)
free base

>  <CAS> (234)
348-45-8

>  <URL> (234)
N/A

$$$$
CL-104773
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  7  9  1  0  0  0  0
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (235)
238

>  <Formula> (235)
C17H14N2O

>  <MolWeight> (235)
262.30586

>  <Cat> (235)
P3253

>  <Name> (235)
CL-104773

>  <Synonyms> (235)
N/A

>  <Target> (235)
TLR, JAK2, fatty acid amide hydrolase

>  <Form> (235)
free base

>  <CAS> (235)
802980-92-3

>  <URL> (235)
N/A

$$$$
WAY-269040
csChFnd80/12302109272D

 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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 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> (236)
239

>  <Formula> (236)
C20H23N3OS

>  <MolWeight> (236)
353.48112

>  <Cat> (236)
P3271

>  <Name> (236)
WAY-269040

>  <Synonyms> (236)
N/A

>  <Target> (236)
Anti-infection

>  <Form> (236)
free base

>  <CAS> (236)
846065-09-6

>  <URL> (236)
N/A

$$$$
WAY-339696
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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 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
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  7  6  2  0  0  0  0
 22 21  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (237)
240

>  <Formula> (237)
C16H11BrN2O3

>  <MolWeight> (237)
359.17414

>  <Cat> (237)
P3388

>  <Name> (237)
WAY-339696

>  <Synonyms> (237)
N/A

>  <Target> (237)
 EGFR-T790M/L858R

>  <Form> (237)
free base

>  <CAS> (237)
333419-97-9

>  <URL> (237)
N/A

$$$$
WAY-349290
csChFnd80/12302109272D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
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 13 17  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (238)
241

>  <Formula> (238)
C12H7ClN2OS

>  <MolWeight> (238)
262.71478

>  <Cat> (238)
P3396

>  <Name> (238)
WAY-349290

>  <Synonyms> (238)
N/A

>  <Target> (238)
Pim,MCH receptor

>  <Form> (238)
free base

>  <CAS> (238)
215928-66-8

>  <URL> (238)
N/A

$$$$
WAY-613473
csChFnd80/12302109272D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.4520    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1687    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 26  2  0  0  0  0
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 26 28  1  0  0  0  0
  7  9  1  0  0  0  0
 18 21  1  0  0  0  0
 20 24  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (239)
242

>  <Formula> (239)
C20H16N4O3S

>  <MolWeight> (239)
392.43104

>  <Cat> (239)
P3450

>  <Name> (239)
WAY-613473

>  <Synonyms> (239)
N/A

>  <Target> (239)
HIV,JAK-2,PI3K

>  <Form> (239)
free base

>  <CAS> (239)
301357-74-4

>  <URL> (239)
N/A

$$$$
WAY-613991
csChFnd80/12302109272D

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.5917   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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243

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N/A

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Casein kinase 1d

>  <Form> (240)
free base

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565167-37-5

>  <URL> (240)
N/A

$$$$
WAY-630998
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (241)
244

>  <Formula> (241)
C21H22N4O

>  <MolWeight> (241)
346.42558

>  <Cat> (241)
P3471

>  <Name> (241)
WAY-630998

>  <Synonyms> (241)
N/A

>  <Target> (241)
p38a

>  <Form> (241)
free base

>  <CAS> (241)
251106-30-6

>  <URL> (241)
N/A

$$$$
WAY-631127
csChFnd80/12302109272D

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>  <Mol_ID> (242)
245

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C24H18ClN3O3

>  <MolWeight> (242)
431.87102

>  <Cat> (242)
P3472

>  <Name> (242)
WAY-631127

>  <Synonyms> (242)
N/A

>  <Target> (242)
Casein kinase 1¦Ä

>  <Form> (242)
free base

>  <CAS> (242)
756849-12-4

>  <URL> (242)
N/A

$$$$
WAY-631545
csChFnd80/12302109272D

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>  <Mol_ID> (243)
246

>  <Formula> (243)
C12H6ClFN2S

>  <MolWeight> (243)
264.7058432

>  <Cat> (243)
P3473

>  <Name> (243)
WAY-631545

>  <Synonyms> (243)
N/A

>  <Target> (243)
others

>  <Form> (243)
free base

>  <CAS> (243)
681260-56-0

>  <URL> (243)
N/A

$$$$
WAY-632021
csChFnd80/12302109272D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (244)
247

>  <Formula> (244)
C13H10ClN3S

>  <MolWeight> (244)
275.7566

>  <Cat> (244)
P3474

>  <Name> (244)
WAY-632021

>  <Synonyms> (244)
N/A

>  <Target> (244)
TIE-2,Raf,phosphodiesterase V

>  <Form> (244)
free base

>  <CAS> (244)
742094-64-0

>  <URL> (244)
N/A

$$$$
WAY-632323
csChFnd80/12302109272D

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248

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>  <Synonyms> (245)
N/A

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Casein kinase 1¦Ä

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free base

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782457-22-1

>  <URL> (245)
N/A

$$$$
WAY-650313
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (246)
249

>  <Formula> (246)
C23H18FN3O

>  <MolWeight> (246)
371.4069232

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P3511

>  <Name> (246)
WAY-650313

>  <Synonyms> (246)
N/A

>  <Target> (246)
Casein kinase 1¦Ä

>  <Form> (246)
free base

>  <CAS> (246)
847772-08-1

>  <URL> (246)
N/A

$$$$
WAY-650886
csChFnd80/12302109272D

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>  <Mol_ID> (247)
250

>  <Formula> (247)
C19H16N4O2

>  <MolWeight> (247)
332.35594

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P3512

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WAY-650886

>  <Synonyms> (247)
N/A

>  <Target> (247)
Casein kinase 1¦Ä

>  <Form> (247)
free base

>  <CAS> (247)
848066-61-5

>  <URL> (247)
N/A

$$$$
WAY-651445
csChFnd80/12302109272D

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>  <Mol_ID> (248)
251

>  <Formula> (248)
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>  <MolWeight> (248)
335.37972

>  <Cat> (248)
P3513

>  <Name> (248)
WAY-651445

>  <Synonyms> (248)
N/A

>  <Target> (248)
LIMK1£¬IkB

>  <Form> (248)
free base

>  <CAS> (248)
848289-47-4

>  <URL> (248)
N/A

$$$$
GI-555736
csChFnd80/12302109272D

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>  <Mol_ID> (249)
252

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>  <MolWeight> (249)
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>  <Cat> (249)
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>  <Name> (249)
GI-555736

>  <Synonyms> (249)
N/A

>  <Target> (249)
PDGFR

>  <Form> (249)
free base

>  <CAS> (249)
848342-16-5

>  <URL> (249)
N/A

$$$$
WAY-270318
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (250)
253

>  <Formula> (250)
C14H14N4OS

>  <MolWeight> (250)
286.35216

>  <Cat> (250)
P3272

>  <Name> (250)
WAY-270318

>  <Synonyms> (250)
N/A

>  <Target> (250)
protein kinase

>  <Form> (250)
free base

>  <CAS> (250)
721964-48-3

>  <URL> (250)
N/A

$$$$
WAY-270329
csChFnd80/12302109272D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11 17  1  0  0  0  0
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 13  7  1  0  0  0  0
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 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
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M  END
>  <Mol_ID> (251)
254

>  <Formula> (251)
C21H18FN5O2S

>  <MolWeight> (251)
423.4633232

>  <Cat> (251)
P3273

>  <Name> (251)
WAY-270329

>  <Synonyms> (251)
N/A

>  <Target> (251)
protein kinase

>  <Form> (251)
free base

>  <CAS> (251)
721964-51-8

>  <URL> (251)
N/A

$$$$
WAY-270444
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 11 15  1  0  0  0  0
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  6  9  1  0  0  0  0
 14 18  2  0  0  0  0
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M  END
>  <Mol_ID> (252)
256

>  <Formula> (252)
C17H16N2O3

>  <MolWeight> (252)
296.32054

>  <Cat> (252)
P3275

>  <Name> (252)
WAY-270444

>  <Synonyms> (252)
N/A

>  <Target> (252)
Hsp90,PDK4,PPAR

>  <Form> (252)
free base

>  <CAS> (252)
394237-61-7

>  <URL> (252)
N/A

$$$$
WAY-270599
csChFnd80/12302109272D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 11 15  1  0  0  0  0
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  7  9  1  0  0  0  0
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 10 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (253)
257

>  <Formula> (253)
C17H11ClN2O4S

>  <MolWeight> (253)
374.79824

>  <Cat> (253)
P3276

>  <Name> (253)
WAY-270599

>  <Synonyms> (253)
N/A

>  <Target> (253)
FGFR1,TNFa

>  <Form> (253)
free base

>  <CAS> (253)
397281-20-8

>  <URL> (253)
N/A

$$$$
WAY-270947
csChFnd80/12302109272D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
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 19  6  1  0  0  0  0
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 18 21  2  0  0  0  0
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M  END
>  <Mol_ID> (254)
258

>  <Formula> (254)
C17H14BrN7O

>  <MolWeight> (254)
412.24336

>  <Cat> (254)
P3277

>  <Name> (254)
WAY-270947

>  <Synonyms> (254)
N/A

>  <Target> (254)
ALK5

>  <Form> (254)
free base

>  <CAS> (254)
1198579-20-2

>  <URL> (254)
N/A

$$$$
WAY-270966
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (255)
259

>  <Formula> (255)
C16H14BrN3OS2

>  <MolWeight> (255)
408.33586

>  <Cat> (255)
P3278

>  <Name> (255)
WAY-270966

>  <Synonyms> (255)
N/A

>  <Target> (255)
p38

>  <Form> (255)
free base

>  <CAS> (255)
421578-44-1

>  <URL> (255)
N/A

$$$$
WAY-270968
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (256)
260

>  <Formula> (256)
C16H13FN2OS2

>  <MolWeight> (256)
332.4156232

>  <Cat> (256)
P3279

>  <Name> (256)
WAY-270968

>  <Synonyms> (256)
N/A

>  <Target> (256)
p38

>  <Form> (256)
free base

>  <CAS> (256)
421578-46-3

>  <URL> (256)
N/A

$$$$
WAY-320509
csChFnd80/12302109272D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (257)
261

>  <Formula> (257)
C18H17N3O2S

>  <MolWeight> (257)
339.41148

>  <Cat> (257)
P3327

>  <Name> (257)
WAY-320509

>  <Synonyms> (257)
N/A

>  <Target> (257)
Anti-infection,CDK8

>  <Form> (257)
free base

>  <CAS> (257)
314035-54-6

>  <URL> (257)
N/A

$$$$
WAY-320049
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (258)
262

>  <Formula> (258)
C13H17NO3S

>  <MolWeight> (258)
267.34398

>  <Cat> (258)
P3323

>  <Name> (258)
WAY-320049

>  <Synonyms> (258)
N/A

>  <Target> (258)
others

>  <Form> (258)
free base

>  <CAS> (258)
298193-11-0

>  <URL> (258)
N/A

$$$$
WAY-320080
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (259)
263

>  <Formula> (259)
C14H13N3O2S

>  <MolWeight> (259)
287.33692

>  <Cat> (259)
P3324

>  <Name> (259)
WAY-320080

>  <Synonyms> (259)
N/A

>  <Target> (259)
glucokinase,heat shock protein 90

>  <Form> (259)
free base

>  <CAS> (259)
349549-38-8

>  <URL> (259)
N/A

$$$$
WAY-320081
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    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> (260)
264

>  <Formula> (260)
C14H13N3O2S

>  <MolWeight> (260)
287.33692

>  <Cat> (260)
P3325

>  <Name> (260)
WAY-320081

>  <Synonyms> (260)
N/A

>  <Target> (260)
glucokinase,heat shock protein 90

>  <Form> (260)
free base

>  <CAS> (260)
66780-67-4

>  <URL> (260)
N/A

$$$$
WAY-602219
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14 12  2  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
  6  8  2  0  0  0  0
 11  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (261)
265

>  <Formula> (261)
C14H12N2O3S2

>  <MolWeight> (261)
320.38668

>  <Cat> (261)
P3430

>  <Name> (261)
WAY-602219

>  <Synonyms> (261)
N/A

>  <Target> (261)
Trypanosoma brucei hexokinase 

>  <Form> (261)
free base

>  <CAS> (261)
378197-09-2

>  <URL> (261)
N/A

$$$$
WAY-602746
csChFnd80/12302109272D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  6  2  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8 11  2  0  0  0  0
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 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 19  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  2  0  0  0  0
  2  4  1  0  0  0  0
 10  8  1  0  0  0  0
 24 23  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (262)
266

>  <Formula> (262)
C20H16N4O

>  <MolWeight> (262)
328.36724

>  <Cat> (262)
P3431

>  <Name> (262)
WAY-602746

>  <Synonyms> (262)
N/A

>  <Target> (262)
ROS 

>  <Form> (262)
free base

>  <CAS> (262)
370096-57-4

>  <URL> (262)
N/A

$$$$
WAY-603264
csChFnd80/12302109272D

 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
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 12  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
  5  6  2  0  0  0  0
 11  7  1  0  0  0  0
M  END
>  <Mol_ID> (263)
267

>  <Formula> (263)
C8H12N2OS

>  <MolWeight> (263)
184.25868

>  <Cat> (263)
P3432

>  <Name> (263)
WAY-603264

>  <Synonyms> (263)
N/A

>  <Target> (263)
adenosine kinase

>  <Form> (263)
free base

>  <CAS> (263)
58350-40-6

>  <URL> (263)
N/A

$$$$
WAY-603359
csChFnd80/12302109272D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  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> (264)
268

>  <Formula> (264)
C10H12ClN3O2

>  <MolWeight> (264)
241.67418

>  <Cat> (264)
P3433

>  <Name> (264)
WAY-603359

>  <Synonyms> (264)
N/A

>  <Target> (264)
p38

>  <Form> (264)
free base

>  <CAS> (264)
329268-90-8

>  <URL> (264)
N/A

$$$$
WAY-634931
csChFnd80/12302109272D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.2653   -1.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0362   -3.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (265)
269

>  <Formula> (265)
C10H14O2

>  <MolWeight> (265)
166.21696

>  <Cat> (265)
P3482

>  <Name> (265)
WAY-634931

>  <Synonyms> (265)
N/A

>  <Target> (265)
GSK3,ROR gamma,CETP,metabotropic glutamate r

>  <Form> (265)
free base

>  <CAS> (265)
82683-51-0

>  <URL> (265)
N/A

$$$$
WAY-634964
csChFnd80/12302109272D

 14 15  0  0  0  0  0  0  0  0999 V2000
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   -0.1083    1.8333    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  4  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  2  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  2  0  0  0  0
  4  5  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (266)
270

>  <Formula> (266)
C9H7N3O2

>  <MolWeight> (266)
189.17078

>  <Cat> (266)
P3483

>  <Name> (266)
WAY-634964

>  <Synonyms> (266)
N/A

>  <Target> (266)
tyrosine kinase

>  <Form> (266)
free base

>  <CAS> (266)
157842-34-7

>  <URL> (266)
N/A

$$$$
WAY-634704
csChFnd80/12302109272D

 22 23  0  0  0  0  0  0  0  0999 V2000
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Aurora kinase A

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free base

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781619-26-9

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N/A

$$$$
WAY-635109
csChFnd80/12302109272D

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N/A

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B-Raf

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free base

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781622-25-1

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N/A

$$$$
WAY-635114
csChFnd80/12302109272D

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N/A

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B-Raf

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free base

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781622-52-4

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N/A

$$$$
WAY-635319
csChFnd80/12302109272D

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CDK

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free base

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763098-07-3

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N/A

$$$$
WAY-311677
csChFnd80/12302109272D

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275

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WAY-311677

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N/A

>  <Target> (271)
FAK

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free base

>  <CAS> (271)
19948-85-7

>  <URL> (271)
N/A

$$$$
CL-243214
csChFnd80/12302109272D

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>  <Name> (272)
CL-243214

>  <Synonyms> (272)
N/A

>  <Target> (272)
others

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free base

>  <CAS> (272)
333785-55-0

>  <URL> (272)
N/A

$$$$
WAY-312187
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
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N/A

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Pim-1

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free base

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1609385-99-0

>  <URL> (273)
N/A

$$$$
WAY-230563
csChFnd80/12302109272D

 22 25  0  0  0  0  0  0  0  0999 V2000
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278

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C17H12N2O2S

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WAY-230563

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N/A

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serine/threonine kinase

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free base

>  <CAS> (274)
93326-70-6

>  <URL> (274)
N/A

$$$$
WAY-235142
csChFnd80/12302109272D

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>  <Mol_ID> (275)
279

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C17H18N2O

>  <MolWeight> (275)
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>  <Cat> (275)
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>  <Name> (275)
WAY-235142

>  <Synonyms> (275)
N/A

>  <Target> (275)
MtSk

>  <Form> (275)
free base

>  <CAS> (275)
380550-28-7

>  <URL> (275)
N/A

$$$$
WAY-311747
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (276)
280

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>  <MolWeight> (276)
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WAY-311747

>  <Synonyms> (276)
N/A

>  <Target> (276)
MtSk

>  <Form> (276)
free base

>  <CAS> (276)
381671-40-5

>  <URL> (276)
N/A

$$$$
WAY-312484
csChFnd80/12302109272D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
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281

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>  <MolWeight> (277)
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WAY-312484

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N/A

>  <Target> (277)
EGFR

>  <Form> (277)
free base

>  <CAS> (277)
91769-08-3

>  <URL> (277)
N/A

$$$$
WAY-311753-A
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (278)
282

>  <Formula> (278)
C16H15N3OS

>  <MolWeight> (278)
297.3748

>  <Cat> (278)
P3757

>  <Name> (278)
WAY-311753-A

>  <Synonyms> (278)
N/A

>  <Target> (278)
tyrosine kinase

>  <Form> (278)
free base

>  <CAS> (278)
345615-74-9

>  <URL> (278)
N/A

$$$$
WAY-310586-A
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (279)
283

>  <Formula> (279)
C16H16N4OS2

>  <MolWeight> (279)
344.45444

>  <Cat> (279)
P3777

>  <Name> (279)
WAY-310586-A

>  <Synonyms> (279)
N/A

>  <Target> (279)
TAOK2

>  <Form> (279)
free base

>  <CAS> (279)
315705-95-4

>  <URL> (279)
N/A

$$$$
WAY-297848
csChFnd80/12302109272D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 18  5  1  0  0  0  0
 19  5  1  0  0  0  0
 10  8  2  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (280)
285

>  <Formula> (280)
C13H13ClN2O2S

>  <MolWeight> (280)
296.77252

>  <Cat> (280)
P3755

>  <Name> (280)
WAY-297848

>  <Synonyms> (280)
N/A

>  <Target> (280)
glucokinase

>  <Form> (280)
free base

>  <CAS> (280)
404360-27-6

>  <URL> (280)
N/A

$$$$
GI-568769
csChFnd80/12302109272D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (281)
286

>  <Formula> (281)
C13H11ClN4

>  <MolWeight> (281)
258.70624

>  <Cat> (281)
P3689

>  <Name> (281)
GI-568769

>  <Synonyms> (281)
N/A

>  <Target> (281)
p90 Ribosomal S6 Protein Kinase 2

>  <Form> (281)
free base

>  <CAS> (281)
62001-32-5

>  <URL> (281)
N/A

$$$$
WAY-298129
csChFnd80/12302109272D

 17 18  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  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
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M  END
>  <Mol_ID> (282)
287

>  <Formula> (282)
C13H15NO2S

>  <MolWeight> (282)
249.3287

>  <Cat> (282)
P3688

>  <Name> (282)
WAY-298129

>  <Synonyms> (282)
N/A

>  <Target> (282)
CLK1,DYRK,CLK,CK1,RB,kinase,ENT1,CK1,DYRK1A,

>  <Form> (282)
free base

>  <CAS> (282)
719277-26-6

>  <URL> (282)
N/A

$$$$
WAY-299338
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
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M  END
>  <Mol_ID> (283)
288

>  <Formula> (283)
C17H16N2O3S

>  <MolWeight> (283)
328.38554

>  <Cat> (283)
P3775

>  <Name> (283)
WAY-299338

>  <Synonyms> (283)
N/A

>  <Target> (283)
PDK1

>  <Form> (283)
free base

>  <CAS> (283)
1005044-23-4

>  <URL> (283)
N/A

$$$$
WAY-322454
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (284)
289

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C17H20N4O2

>  <MolWeight> (284)
312.3663

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>  <Name> (284)
WAY-322454

>  <Synonyms> (284)
N/A

>  <Target> (284)
GRK6

>  <Form> (284)
free base

>  <CAS> (284)
1008244-02-7

>  <URL> (284)
N/A

$$$$
WAY-119064
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (285)
290

>  <Formula> (285)
C13H18N2O3S

>  <MolWeight> (285)
282.35862

>  <Cat> (285)
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>  <Name> (285)
WAY-119064

>  <Synonyms> (285)
N/A

>  <Target> (285)
INK4C

>  <Form> (285)
free base

>  <CAS> (285)
1198098-03-1

>  <URL> (285)
N/A

$$$$
WAY-215718
csChFnd80/12302109272D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (286)
291

>  <Formula> (286)
C14H19N3

>  <MolWeight> (286)
229.32076

>  <Cat> (286)
P3684

>  <Name> (286)
WAY-215718

>  <Synonyms> (286)
N/A

>  <Target> (286)
5-HT Receptor,pp6othersc-Src tyrosine kinase

>  <Form> (286)
free base

>  <CAS> (286)
128175-06-4

>  <URL> (286)
N/A

$$$$
WAY-300046
csChFnd80/12302109272D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  2  5  2  0  0  0  0
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 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (287)
292

>  <Formula> (287)
C12H13N3O2

>  <MolWeight> (287)
231.25052

>  <Cat> (287)
P3682

>  <Name> (287)
WAY-300046

>  <Synonyms> (287)
N/A

>  <Target> (287)
LtaS,herpes simplex viruses thymidine kinase

>  <Form> (287)
free base

>  <CAS> (287)
41648-10-6

>  <URL> (287)
N/A

$$$$
WAY-300063
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 20 22  1  0  0  0  0
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 11 13  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (288)
293

>  <Formula> (288)
C16H13N3O3

>  <MolWeight> (288)
295.29272

>  <Cat> (288)
P3727

>  <Name> (288)
WAY-300063

>  <Synonyms> (288)
N/A

>  <Target> (288)
Tropomyosin-Related Kinase A,ATP-binding cas

>  <Form> (288)
free base

>  <CAS> (288)
296888-45-4

>  <URL> (288)
N/A

$$$$
WAY-299819
csChFnd80/12302109272D

 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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  3  6  2  0  0  0  0
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 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (289)
294

>  <Formula> (289)
C12H10ClNOS

>  <MolWeight> (289)
251.7319

>  <Cat> (289)
P3687

>  <Name> (289)
WAY-299819

>  <Synonyms> (289)
N/A

>  <Target> (289)
p38 MAPK,c-Jun-N-Terminal Kinase

>  <Form> (289)
free base

>  <CAS> (289)
346663-56-7

>  <URL> (289)
N/A

$$$$
WAY-300700
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 13 15  2  0  0  0  0
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 18 20  1  0  0  0  0
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 22 23  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (290)
295

>  <Formula> (290)
C19H22N2O2

>  <MolWeight> (290)
310.39018

>  <Cat> (290)
P3751

>  <Name> (290)
WAY-300700

>  <Synonyms> (290)
N/A

>  <Target> (290)
HIV-1

>  <Form> (290)
free base

>  <CAS> (290)
428853-17-2

>  <URL> (290)
N/A

$$$$
WAY-300744
csChFnd80/12302109272D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2241   -0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517   -0.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9483    0.7598    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4069    0.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6931    0.8977    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 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
 20 21  1  0  0  0  0
  5  8  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (291)
296

>  <Formula> (291)
C14H12Cl2N2O2S

>  <MolWeight> (291)
343.22828

>  <Cat> (291)
P3773

>  <Name> (291)
WAY-300744

>  <Synonyms> (291)
N/A

>  <Target> (291)
kinase

>  <Form> (291)
free base

>  <CAS> (291)
314284-06-5

>  <URL> (291)
N/A

$$$$
WAY-301205
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.4103   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103   -2.0448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103   -2.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0517   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793    2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0517    2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (292)
297

>  <Formula> (292)
C16H20N2O2S2

>  <MolWeight> (292)
336.4722

>  <Cat> (292)
P3772

>  <Name> (292)
WAY-301205

>  <Synonyms> (292)
N/A

>  <Target> (292)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (292)
free base

>  <CAS> (292)
330181-93-6

>  <URL> (292)
N/A

$$$$
WAY-301300
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.4931    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207    0.8552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4828   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    0.4517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3828    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241   -0.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -0.3759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5379    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655    0.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586    1.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655   -1.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690   -0.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828   -2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966   -2.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  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
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  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> (293)
298

>  <Formula> (293)
C16H17NO4

>  <MolWeight> (293)
287.31048

>  <Cat> (293)
P3726

>  <Name> (293)
WAY-301300

>  <Synonyms> (293)
N/A

>  <Target> (293)
Rho kinase,bacterial DNA adenine methyltrans

>  <Form> (293)
free base

>  <CAS> (293)
935279-95-1

>  <URL> (293)
N/A

$$$$
WAY-301398
csChFnd80/12302109272D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.1345    0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3414    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3517   -1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276    2.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5483    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483    2.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5586   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655   -3.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5828   -3.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7241    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9310    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9207   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1379    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1379   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3448   -1.5966    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  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
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
 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> (294)
299

>  <Formula> (294)
C16H13FO4

>  <MolWeight> (294)
288.2704232

>  <Cat> (294)
P3750

>  <Name> (294)
WAY-301398

>  <Synonyms> (294)
N/A

>  <Target> (294)
arylamine Nacetyltransferase,Protein Kinase 

>  <Form> (294)
free base

>  <CAS> (294)
312607-68-4

>  <URL> (294)
N/A

$$$$
WAY-301464
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.6698    0.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6008    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698    1.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2613    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6008   -0.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5387    0.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2613    2.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6008    2.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2613   -0.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5387   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4698    1.2575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2613    3.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6008    3.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698    3.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1130   -0.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -2.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0268   -2.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9544   -3.0805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  3  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  9 10  2  0  0  0  0
 14 16  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (295)
300

>  <Formula> (295)
C18H13N3O

>  <MolWeight> (295)
287.31532

>  <Cat> (295)
P3749

>  <Name> (295)
WAY-301464

>  <Synonyms> (295)
N/A

>  <Target> (295)
Pim-1

>  <Form> (295)
free base

>  <CAS> (295)
79492-49-2

>  <URL> (295)
N/A

$$$$
WAY-301503
csChFnd80/12302109272D

 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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CDK2

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free base

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313530-30-2

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N/A

$$$$
WAY-118985
csChFnd80/12302109272D

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free base

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315704-83-7

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N/A

$$$$
WAY-603610
csChFnd80/12302109272D

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303

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WAY-603610

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N/A

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GSK3

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free base

>  <CAS> (298)
380450-97-5

>  <URL> (298)
N/A

$$$$
WAY-603814
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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WAY-603814

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N/A

>  <Target> (299)
FGFR1, HSP 90 

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free base

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308298-51-3

>  <URL> (299)
N/A

$$$$
WAY-636900
csChFnd80/12302109272D

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305

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>  <MolWeight> (300)
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>  <Cat> (300)
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>  <Name> (300)
WAY-636900

>  <Synonyms> (300)
N/A

>  <Target> (300)
Aurora kinase A

>  <Form> (300)
free base

>  <CAS> (300)
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>  <URL> (300)
N/A

$$$$
WAY-636982
csChFnd80/12302109272D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (301)
306

>  <Formula> (301)
C10H14N2O4

>  <MolWeight> (301)
226.22916

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P3490

>  <Name> (301)
WAY-636982

>  <Synonyms> (301)
N/A

>  <Target> (301)
Aurora kinase A

>  <Form> (301)
free base

>  <CAS> (301)
834-45-7

>  <URL> (301)
N/A

$$$$
WAY-637081
csChFnd80/12302109272D

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 13  6  1  0  0  0  0
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 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 19  1  0  0  0  0
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 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (302)
307

>  <Formula> (302)
C17H11ClN4O2

>  <MolWeight> (302)
338.74784

>  <Cat> (302)
P3491

>  <Name> (302)
WAY-637081

>  <Synonyms> (302)
N/A

>  <Target> (302)
VEGFR2,Casein kinase 1d

>  <Form> (302)
free base

>  <CAS> (302)
793722-88-0

>  <URL> (302)
N/A

$$$$
WAY-637493
csChFnd80/12302109272D

 25 29  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0  0  0  0
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 13 10  1  0  0  0  0
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 16  2  1  0  0  0  0
 17  6  2  0  0  0  0
 18 14  1  0  0  0  0
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 20  9  1  0  0  0  0
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M  END
>  <Mol_ID> (303)
308

>  <Formula> (303)
C18H14N4O3

>  <MolWeight> (303)
334.32876

>  <Cat> (303)
P3492

>  <Name> (303)
WAY-637493

>  <Synonyms> (303)
N/A

>  <Target> (303)
Fyn

>  <Form> (303)
free base

>  <CAS> (303)
791600-64-1

>  <URL> (303)
N/A

$$$$
WAY-637845
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (304)
309

>  <Formula> (304)
C10H10INO

>  <MolWeight> (304)
287.09697

>  <Cat> (304)
P3493

>  <Name> (304)
WAY-637845

>  <Synonyms> (304)
N/A

>  <Target> (304)
others

>  <Form> (304)
free base

>  <CAS> (304)
794539-14-3

>  <URL> (304)
N/A

$$$$
WAY-655860
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (305)
310

>  <Formula> (305)
C13H11N3S

>  <MolWeight> (305)
241.31154

>  <Cat> (305)
P3520

>  <Name> (305)
WAY-655860

>  <Synonyms> (305)
N/A

>  <Target> (305)
B-Raf

>  <Form> (305)
free base

>  <CAS> (305)
63895-45-4

>  <URL> (305)
N/A

$$$$
WAY-655978
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (306)
311

>  <Formula> (306)
C16H12ClN3OS

>  <MolWeight> (306)
329.80398

>  <Cat> (306)
P3521

>  <Name> (306)
WAY-655978

>  <Synonyms> (306)
N/A

>  <Target> (306)
ROCK, ERK, GSK, and AGC

>  <Form> (306)
free base

>  <CAS> (306)
692869-98-0

>  <URL> (306)
N/A

$$$$
WAY-656283
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (307)
312

>  <Formula> (307)
C12H11NO3S

>  <MolWeight> (307)
249.28564

>  <Cat> (307)
P3522

>  <Name> (307)
WAY-656283

>  <Synonyms> (307)
N/A

>  <Target> (307)
p38

>  <Form> (307)
free base

>  <CAS> (307)
263270-62-8

>  <URL> (307)
N/A

$$$$
WAY-656935
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
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 11  6  2  0  0  0  0
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 13  8  2  0  0  0  0
 14 13  1  0  0  0  0
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 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
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M  END
>  <Mol_ID> (308)
313

>  <Formula> (308)
C17H15N3O2S

>  <MolWeight> (308)
325.3849

>  <Cat> (308)
P3523

>  <Name> (308)
WAY-656935

>  <Synonyms> (308)
N/A

>  <Target> (308)
 ROCK, ERK, GSK, and AGC 

>  <Form> (308)
free base

>  <CAS> (308)
852902-81-9

>  <URL> (308)
N/A

$$$$
WAY-657460
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
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 10 18  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 12  2  0  0  0  0
 20  8  2  0  0  0  0
 21  8  1  0  0  0  0
 22 16  2  0  0  0  0
 23 15  1  0  0  0  0
  6  3  2  0  0  0  0
 10 17  2  0  0  0  0
 22 14  1  0  0  0  0
M  END
>  <Mol_ID> (309)
314

>  <Formula> (309)
C17H15N3O2S

>  <MolWeight> (309)
325.3849

>  <Cat> (309)
P3524

>  <Name> (309)
WAY-657460

>  <Synonyms> (309)
N/A

>  <Target> (309)
 ROCK, ERK, GSK, and AGC 

>  <Form> (309)
free base

>  <CAS> (309)
853325-19-6

>  <URL> (309)
N/A

$$$$
WAY-323534
csChFnd80/12302109272D

 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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  4  2  1  0  0  0  0
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 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  1  0  0  0  0
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 15 17  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19  8  1  0  0  0  0
 20 15  1  0  0  0  0
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 23 21  1  0  0  0  0
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 25 24  1  0  0  0  0
  7  9  2  0  0  0  0
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 15 18  1  0  0  0  0
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M  END
>  <Mol_ID> (310)
315

>  <Formula> (310)
C20H16ClN3O

>  <MolWeight> (310)
349.81354

>  <Cat> (310)
P3339

>  <Name> (310)
WAY-323534

>  <Synonyms> (310)
N/A

>  <Target> (310)
PASK

>  <Form> (310)
free base

>  <CAS> (310)
854040-96-3

>  <URL> (310)
N/A

$$$$
WAY-323878-A
csChFnd80/12302109272D

 19 21  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  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14  3  1  0  0  0  0
 15 13  2  0  0  0  0
 16  4  2  0  0  0  0
 17  5  2  0  0  0  0
 18 16  1  0  0  0  0
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 19 18  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (311)
316

>  <Formula> (311)
C16H14N2O

>  <MolWeight> (311)
250.29516

>  <Cat> (311)
P3340

>  <Name> (311)
WAY-323878-A

>  <Synonyms> (311)
N/A

>  <Target> (311)
CDK

>  <Form> (311)
free base

>  <CAS> (311)
1185726-51-5

>  <URL> (311)
N/A

$$$$
WAY-323879
csChFnd80/12302109272D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (312)
317

>  <Formula> (312)
C15H14N2O

>  <MolWeight> (312)
238.28446

>  <Cat> (312)
P3341

>  <Name> (312)
WAY-323879

>  <Synonyms> (312)
N/A

>  <Target> (312)
CDK

>  <Form> (312)
free base

>  <CAS> (312)
685097-43-2

>  <URL> (312)
N/A

$$$$
WAY-324418
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (313)
318

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C11H10N4O2S

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262.2877

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WAY-324418

>  <Synonyms> (313)
N/A

>  <Target> (313)
Anti-infection

>  <Form> (313)
free base

>  <CAS> (313)
681838-49-3

>  <URL> (313)
N/A

$$$$
WAY-324420
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (314)
319

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C12H12N4O2S

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276.31428

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>  <Name> (314)
WAY-324420

>  <Synonyms> (314)
N/A

>  <Target> (314)
Anti-infection

>  <Form> (314)
free base

>  <CAS> (314)
681838-50-6

>  <URL> (314)
N/A

$$$$
WAY-324709
csChFnd80/12302109272D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (315)
320

>  <Formula> (315)
C15H9FN2O3

>  <MolWeight> (315)
284.2419632

>  <Cat> (315)
P3344

>  <Name> (315)
WAY-324709

>  <Synonyms> (315)
N/A

>  <Target> (315)
ATP-kinase

>  <Form> (315)
free base

>  <CAS> (315)
69785-85-9

>  <URL> (315)
N/A

$$$$
WAY-325065
csChFnd80/12302109272D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (316)
321

>  <Formula> (316)
C16H17N7S

>  <MolWeight> (316)
339.41808

>  <Cat> (316)
P3345

>  <Name> (316)
WAY-325065

>  <Synonyms> (316)
N/A

>  <Target> (316)
MtSk

>  <Form> (316)
free base

>  <CAS> (316)
689762-76-3

>  <URL> (316)
N/A

$$$$
WAY-325185
csChFnd80/12302109272D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (317)
322

>  <Formula> (317)
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>  <MolWeight> (317)
343.38034

>  <Cat> (317)
P3346

>  <Name> (317)
WAY-325185

>  <Synonyms> (317)
N/A

>  <Target> (317)
VEGFR

>  <Form> (317)
free base

>  <CAS> (317)
342785-98-2

>  <URL> (317)
N/A

$$$$
WAY-325484
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (318)
323

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C16H18N4

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266.34092

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WAY-325484

>  <Synonyms> (318)
N/A

>  <Target> (318)
CDK8

>  <Form> (318)
free base

>  <CAS> (318)
642002-74-2

>  <URL> (318)
N/A

$$$$
WAY-325485
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (319)
324

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C17H13N3O

>  <MolWeight> (319)
275.30462

>  <Cat> (319)
P3348

>  <Name> (319)
WAY-325485

>  <Synonyms> (319)
N/A

>  <Target> (319)
Others

>  <Form> (319)
free base

>  <CAS> (319)
177937-81-4

>  <URL> (319)
N/A

$$$$
WAY-325487
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (320)
325

>  <Formula> (320)
C17H12FN3O

>  <MolWeight> (320)
293.2950832

>  <Cat> (320)
P3349

>  <Name> (320)
WAY-325487

>  <Synonyms> (320)
N/A

>  <Target> (320)
Others

>  <Form> (320)
free base

>  <CAS> (320)
575471-15-7

>  <URL> (320)
N/A

$$$$
WAY-325490
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (321)
326

>  <Formula> (321)
C16H10ClN3O

>  <MolWeight> (321)
295.7231

>  <Cat> (321)
P3350

>  <Name> (321)
WAY-325490

>  <Synonyms> (321)
N/A

>  <Target> (321)
mitogen activated protein kinase-activated p

>  <Form> (321)
free base

>  <CAS> (321)
77607-70-6

>  <URL> (321)
N/A

$$$$
WAY-606344
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (322)
327

>  <Formula> (322)
C14H8ClN3O2

>  <MolWeight> (322)
285.68522

>  <Cat> (322)
P3437

>  <Name> (322)
WAY-606344

>  <Synonyms> (322)
N/A

>  <Target> (322)
Casein kinase 1d

>  <Form> (322)
free base

>  <CAS> (322)
380423-28-9

>  <URL> (322)
N/A

$$$$
WAY-606954
csChFnd80/12302109272D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (323)
328

>  <Formula> (323)
C18H20N4O

>  <MolWeight> (323)
308.3776

>  <Cat> (323)
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>  <Name> (323)
WAY-606954

>  <Synonyms> (323)
N/A

>  <Target> (323)
GSK3

>  <Form> (323)
free base

>  <CAS> (323)
748145-12-2

>  <URL> (323)
N/A

$$$$
WAY-606956
csChFnd80/12302109272D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (324)
329

>  <Formula> (324)
C18H20N4O

>  <MolWeight> (324)
308.3776

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P3439

>  <Name> (324)
WAY-606956

>  <Synonyms> (324)
N/A

>  <Target> (324)
GSK3

>  <Form> (324)
free base

>  <CAS> (324)
748145-19-9

>  <URL> (324)
N/A

$$$$
WAY-606957
csChFnd80/12302109272D

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 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (325)
330

>  <Formula> (325)
C18H20N4O

>  <MolWeight> (325)
308.3776

>  <Cat> (325)
P3440

>  <Name> (325)
WAY-606957

>  <Synonyms> (325)
N/A

>  <Target> (325)
GSK3

>  <Form> (325)
free base

>  <CAS> (325)
1062138-03-7

>  <URL> (325)
N/A

$$$$
WAY-606958
csChFnd80/12302109272D

 29 33  0  0  0  0  0  0  0  0999 V2000
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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 12  2  0  0  0  0
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 15  5  1  0  0  0  0
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M  END
>  <Mol_ID> (326)
331

>  <Formula> (326)
C23H23N5O

>  <MolWeight> (326)
385.46162

>  <Cat> (326)
P3441

>  <Name> (326)
WAY-606958

>  <Synonyms> (326)
N/A

>  <Target> (326)
Casein kinase 1¦Ä

>  <Form> (326)
free base

>  <CAS> (326)
882220-11-3

>  <URL> (326)
N/A

$$$$
WAY-297342
csChFnd80/12302109272D

 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  6  1  0  0  0  0
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M  END
>  <Mol_ID> (327)
332

>  <Formula> (327)
C15H15N3O2S

>  <MolWeight> (327)
301.3635

>  <Cat> (327)
P3298

>  <Name> (327)
WAY-297342

>  <Synonyms> (327)
N/A

>  <Target> (327)
Anti-infection,FLT3,SirT1,ATP-utilizing enzy

>  <Form> (327)
free base

>  <CAS> (327)
298207-49-5

>  <URL> (327)
N/A

$$$$
WAY-297629
csChFnd80/12302109272D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (328)
333

>  <Formula> (328)
C21H18N2O3

>  <MolWeight> (328)
346.37922

>  <Cat> (328)
P3299

>  <Name> (328)
WAY-297629

>  <Synonyms> (328)
N/A

>  <Target> (328)
VEGFR2

>  <Form> (328)
free base

>  <CAS> (328)
371213-22-8

>  <URL> (328)
N/A

$$$$
GI-569525
csChFnd80/12302109272D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.3625    1.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4763    1.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168    0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4763   -0.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3625   -0.4358    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5038   -0.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5030   -3.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2694   -2.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3341   -3.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
 12 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (329)
334

>  <Formula> (329)
C18H17NO4S

>  <MolWeight> (329)
343.39688

>  <Cat> (329)
P3260

>  <Name> (329)
GI-569525

>  <Synonyms> (329)
N/A

>  <Target> (329)
Anti-infection

>  <Form> (329)
free base

>  <CAS> (329)
96334-43-9

>  <URL> (329)
N/A

$$$$
WAY-298041
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0586   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172    0.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5310    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5207   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (330)
335

>  <Formula> (330)
C17H15N3O2

>  <MolWeight> (330)
293.3199

>  <Cat> (330)
P3300

>  <Name> (330)
WAY-298041

>  <Synonyms> (330)
N/A

>  <Target> (330)
c-Met

>  <Form> (330)
free base

>  <CAS> (330)
299405-67-7

>  <URL> (330)
N/A

$$$$
WAY-298350
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.5005   -5.8010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0735   -4.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9200   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3310   -5.8010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7420   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5005   -7.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620   -7.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9200   -3.3665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5890   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1450   -9.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1695   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7420   -8.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5640   -8.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675   -8.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1450  -10.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400   -7.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
  6  9  1  0  0  0  0
 20 21  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (331)
336

>  <Formula> (331)
C17H17NO3

>  <MolWeight> (331)
283.32178

>  <Cat> (331)
P3301

>  <Name> (331)
WAY-298350

>  <Synonyms> (331)
N/A

>  <Target> (331)
A kinase anchor protein/protein kinase A int

>  <Form> (331)
free base

>  <CAS> (331)
304888-67-3

>  <URL> (331)
N/A

$$$$
WAY-298516
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.0297    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9262    1.2942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2703    0.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3193   -0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055    1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5331    2.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7910   -0.7232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9428    1.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1779   -1.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434   -1.4507    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0848    1.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4124    3.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0634   -1.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0572   -2.9266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6048   -1.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  7  9  1  0  0  0  0
 12 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (332)
337

>  <Formula> (332)
C14H13ClN2O3

>  <MolWeight> (332)
292.71762

>  <Cat> (332)
P3302

>  <Name> (332)
WAY-298516

>  <Synonyms> (332)
N/A

>  <Target> (332)
Androgen Receptor,RAD51,GSK-3

>  <Form> (332)
free base

>  <CAS> (332)
103056-35-5

>  <URL> (332)
N/A

$$$$
WAY-298668
csChFnd80/12302109272D

 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
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   -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
   -2.5483   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  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> (333)
338

>  <Formula> (333)
C22H23N5O3

>  <MolWeight> (333)
405.44972

>  <Cat> (333)
P3303

>  <Name> (333)
WAY-298668

>  <Synonyms> (333)
N/A

>  <Target> (333)
Aurora-A,JAMM protease

>  <Form> (333)
free base

>  <CAS> (333)
371224-09-8

>  <URL> (333)
N/A

$$$$
WAY-607324
csChFnd80/12302109272D

 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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 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (334)
339

>  <Formula> (334)
C13H8N2O2S2

>  <MolWeight> (334)
288.34482

>  <Cat> (334)
P3442

>  <Name> (334)
WAY-607324

>  <Synonyms> (334)
N/A

>  <Target> (334)
Mcl-1,ASK1

>  <Form> (334)
free base

>  <CAS> (334)
1427537-92-5

>  <URL> (334)
N/A

$$$$
WAY-607500
csChFnd80/12302109272D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 13 15  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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 11 21  1  0  0  0  0
M  END
>  <Mol_ID> (335)
340

>  <Formula> (335)
C19H18N2O2

>  <MolWeight> (335)
306.35842

>  <Cat> (335)
P3443

>  <Name> (335)
WAY-607500

>  <Synonyms> (335)
N/A

>  <Target> (335)
VEGFR

>  <Form> (335)
free base

>  <CAS> (335)
186610-88-8

>  <URL> (335)
N/A

$$$$
WAY-607738
csChFnd80/12302109272D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
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  6  2  1  0  0  0  0
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 10  7  1  0  0  0  0
 11 19  1  0  0  0  0
 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  2  0  0  0  0
 15 14  1  0  0  0  0
 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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 21 13  2  0  0  0  0
 22 12  1  0  0  0  0
 23 11  2  0  0  0  0
 24 18  1  0  0  0  0
 25 21  1  0  0  0  0
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 28  2  1  0  0  0  0
 29 14  1  0  0  0  0
 30 15  1  0  0  0  0
 31 29  2  0  0  0  0
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  6  5  1  0  0  0  0
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 32 30  2  0  0  0  0
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M  END
>  <Mol_ID> (336)
341

>  <Formula> (336)
C22H18N4O6

>  <MolWeight> (336)
434.40152

>  <Cat> (336)
P3444

>  <Name> (336)
WAY-607738

>  <Synonyms> (336)
N/A

>  <Target> (336)
Mcl-1,mitogen-activated protein kinase phosp

>  <Form> (336)
free base

>  <CAS> (336)
522624-94-8

>  <URL> (336)
N/A

$$$$
WAY-607777
csChFnd80/12302109272D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
 13 20  2  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17  5  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
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 21 18  2  0  0  0  0
 22 11  1  0  0  0  0
 23 17  2  0  0  0  0
 24 23  1  0  0  0  0
 12 14  2  0  0  0  0
 13 21  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (337)
342

>  <Formula> (337)
C16H12ClN3O2S2

>  <MolWeight> (337)
377.86838

>  <Cat> (337)
P3445

>  <Name> (337)
WAY-607777

>  <Synonyms> (337)
N/A

>  <Target> (337)
Casein kinase 1d

>  <Form> (337)
free base

>  <CAS> (337)
522626-08-0

>  <URL> (337)
N/A

$$$$
WAY-619275
csChFnd80/12302109272D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  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
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 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
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 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
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 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (338)
343

>  <Formula> (338)
C12H11N5O

>  <MolWeight> (338)
241.24864

>  <Cat> (338)
P3457

>  <Name> (338)
WAY-619275

>  <Synonyms> (338)
N/A

>  <Target> (338)
Plk1 kinase,EphB2

>  <Form> (338)
free base

>  <CAS> (338)
73663-97-5

>  <URL> (338)
N/A

$$$$
WAY-619999
csChFnd80/12302109272D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  5  1  1  0  0  0  0
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  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
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 30 22  1  0  0  0  0
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 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> (339)
344

>  <Formula> (339)
C22H19Cl2N3O4

>  <MolWeight> (339)
460.30996

>  <Cat> (339)
P3458

>  <Name> (339)
WAY-619999

>  <Synonyms> (339)
N/A

>  <Target> (339)
CK2,GSK3¦Â

>  <Form> (339)
free base

>  <CAS> (339)
736932-33-5

>  <URL> (339)
N/A

$$$$
WAY-620099
csChFnd80/12302109272D

 20 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
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 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
  9  8  2  0  0  0  0
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 20 19  1  0  0  0  0
 11 17  2  0  0  0  0
M  END
>  <Mol_ID> (340)
345

>  <Formula> (340)
C15H12ClN3S

>  <MolWeight> (340)
301.79388

>  <Cat> (340)
P3459

>  <Name> (340)
WAY-620099

>  <Synonyms> (340)
N/A

>  <Target> (340)
tyrosine kinase,PI3K,phosphodiesterase V

>  <Form> (340)
free base

>  <CAS> (340)
128277-24-7

>  <URL> (340)
N/A

$$$$
WAY-620147
csChFnd80/12302109272D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  7  8  2  0  0  0  0
  4  5  1  0  0  0  0
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  2  3  1  0  0  0  0
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  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
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  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  3  4  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  3 18  1  0  0  0  0
M  END
>  <Mol_ID> (341)
346

>  <Formula> (341)
C12H16BrN3O2

>  <MolWeight> (341)
314.17834

>  <Cat> (341)
P3460

>  <Name> (341)
WAY-620147

>  <Synonyms> (341)
N/A

>  <Target> (341)
monoamine oxidase a

>  <Form> (341)
free base

>  <CAS> (341)
515866-67-8

>  <URL> (341)
N/A

$$$$
WAY-638641
csChFnd80/12302109272D

 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
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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
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 10 21  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18  4  1  0  0  0  0
 19  8  2  0  0  0  0
 20  4  1  0  0  0  0
 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> (342)
347

>  <Formula> (342)
C16H17N3O5S

>  <MolWeight> (342)
363.38828

>  <Cat> (342)
P3494

>  <Name> (342)
WAY-638641

>  <Synonyms> (342)
N/A

>  <Target> (342)
Aurora kinase A

>  <Form> (342)
free base

>  <CAS> (342)
796068-62-7

>  <URL> (342)
N/A

$$$$
WAY-638796
csChFnd80/12302109272D

 19 22  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 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> (343)
348

>  <Formula> (343)
C14H10ClN3S

>  <MolWeight> (343)
287.7673

>  <Cat> (343)
P3495

>  <Name> (343)
WAY-638796

>  <Synonyms> (343)
N/A

>  <Target> (343)
tyrosine kinase

>  <Form> (343)
free base

>  <CAS> (343)
796067-64-6

>  <URL> (343)
N/A

$$$$
WAY-639405
csChFnd80/12302109272D

 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
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    1.7792    0.6000    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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  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 17  1  0  0  0  0
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 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
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 21 11  1  0  0  0  0
 22 10  2  0  0  0  0
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 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> (344)
349

>  <Formula> (344)
C21H18N4O2S

>  <MolWeight> (344)
390.45822

>  <Cat> (344)
P3496

>  <Name> (344)
WAY-639405

>  <Synonyms> (344)
N/A

>  <Target> (344)
tyrosine kinase,phosphodiesterase V

>  <Form> (344)
free base

>  <CAS> (344)
796052-04-5

>  <URL> (344)
N/A

$$$$
WAY-658341
csChFnd80/12302109272D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10 12  2  0  0  0  0
 11  3  1  0  0  0  0
 12 16  1  0  0  0  0
 13  2  1  0  0  0  0
 14 11  2  0  0  0  0
 15  9  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19  9  1  0  0  0  0
 20 15  1  0  0  0  0
 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> (345)
350

>  <Formula> (345)
C18H15BrN6O2S

>  <MolWeight> (345)
459.3197

>  <Cat> (345)
P3525

>  <Name> (345)
WAY-658341

>  <Synonyms> (345)
N/A

>  <Target> (345)
Casein kinase 1d

>  <Form> (345)
free base

>  <CAS> (345)
849012-74-4

>  <URL> (345)
N/A

$$$$
WAY-658513
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0083    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3625    3.0833    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  9  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  3  1  0  0  0  0
 13  7  2  0  0  0  0
 14 21  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17 18  2  0  0  0  0
 18 11  1  0  0  0  0
 19 10  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  2  0  0  0  0
  8  3  2  0  0  0  0
 14 20  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (346)
351

>  <Formula> (346)
C16H11ClFN3OS

>  <MolWeight> (346)
347.7944432

>  <Cat> (346)
P3526

>  <Name> (346)
WAY-658513

>  <Synonyms> (346)
N/A

>  <Target> (346)
ROCK, ERK, GSK, and AGC

>  <Form> (346)
free base

>  <CAS> (346)
692870-25-0

>  <URL> (346)
N/A

$$$$
WAY-326250
csChFnd80/12302109272D

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.0667   -6.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8167   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1167   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1167  -10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 19 11  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 18  1  0  0  0  0
  8  4  1  0  0  0  0
  7  9  1  0  0  0  0
 16 14  2  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (347)
352

>  <Formula> (347)
C15H13N5OS

>  <MolWeight> (347)
311.36162

>  <Cat> (347)
P3351

>  <Name> (347)
WAY-326250

>  <Synonyms> (347)
N/A

>  <Target> (347)
shikimate kinase

>  <Form> (347)
free base

>  <CAS> (347)
869872-13-9

>  <URL> (347)
N/A

$$$$
WAY-326542
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
   11.6667   -7.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042  -10.3792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.6667   -9.5417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2042   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3250   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042  -12.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292  -11.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7917  -10.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3167   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15  1  1  0  0  0  0
 16  8  1  0  0  0  0
 17  5  2  0  0  0  0
 18  7  2  0  0  0  0
 19  9  1  0  0  0  0
 20 21  2  0  0  0  0
 21 18  1  0  0  0  0
  5  2  1  0  0  0  0
 13 11  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (348)
353

>  <Formula> (348)
C16H15NO3S

>  <MolWeight> (348)
301.3602

>  <Cat> (348)
P3352

>  <Name> (348)
WAY-326542

>  <Synonyms> (348)
N/A

>  <Target> (348)
CDK5/p25

>  <Form> (348)
free base

>  <CAS> (348)
870983-04-3

>  <URL> (348)
N/A

$$$$
WAY-326578
csChFnd80/12302109272D

 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
    0.3415   -0.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7790   -0.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9710   -1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1540    0.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415   -3.8199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9585   -3.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (349)
354

>  <Formula> (349)
C16H16N2O3S

>  <MolWeight> (349)
316.37484

>  <Cat> (349)
P3353

>  <Name> (349)
WAY-326578

>  <Synonyms> (349)
N/A

>  <Target> (349)
GSK-3b

>  <Form> (349)
free base

>  <CAS> (349)
870984-34-2

>  <URL> (349)
N/A

$$$$
WAY-326890
csChFnd80/12302109272D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 13  3  1  0  0  0  0
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 15  3  2  0  0  0  0
 16  3  2  0  0  0  0
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 21  8  1  0  0  0  0
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M  END
>  <Mol_ID> (350)
355

>  <Formula> (350)
C17H17N3O3S2

>  <MolWeight> (350)
375.46518

>  <Cat> (350)
P3354

>  <Name> (350)
WAY-326890

>  <Synonyms> (350)
N/A

>  <Target> (350)
Others

>  <Form> (350)
free base

>  <CAS> (350)
685865-67-2

>  <URL> (350)
N/A

$$$$
WAY-326891
csChFnd80/12302109272D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  2  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17  8  2  0  0  0  0
 18 10  1  0  0  0  0
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 20 18  2  0  0  0  0
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M  END
>  <Mol_ID> (351)
356

>  <Formula> (351)
C17H17N3O3S2

>  <MolWeight> (351)
375.46518

>  <Cat> (351)
P3355

>  <Name> (351)
WAY-326891

>  <Synonyms> (351)
N/A

>  <Target> (351)
kinase

>  <Form> (351)
free base

>  <CAS> (351)
685865-71-8

>  <URL> (351)
N/A

$$$$
WAY-326892
csChFnd80/12302109272D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
 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
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 18  9  2  0  0  0  0
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M  END
>  <Mol_ID> (352)
357

>  <Formula> (352)
C17H17N3O3S2

>  <MolWeight> (352)
375.46518

>  <Cat> (352)
P3356

>  <Name> (352)
WAY-326892

>  <Synonyms> (352)
N/A

>  <Target> (352)
kinase

>  <Form> (352)
free base

>  <CAS> (352)
685865-72-9

>  <URL> (352)
N/A

$$$$
WAY-326893
csChFnd80/12302109272D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 12  3  2  0  0  0  0
 13  3  2  0  0  0  0
 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
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 17  8  2  0  0  0  0
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M  END
>  <Mol_ID> (353)
358

>  <Formula> (353)
C17H17N3O3S2

>  <MolWeight> (353)
375.46518

>  <Cat> (353)
P3357

>  <Name> (353)
WAY-326893

>  <Synonyms> (353)
N/A

>  <Target> (353)
Others

>  <Form> (353)
free base

>  <CAS> (353)
685865-73-0

>  <URL> (353)
N/A

$$$$
WAY-326894
csChFnd80/12302109272D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (354)
359

>  <Formula> (354)
C15H12FN3O3S2

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P3358

>  <Name> (354)
WAY-326894

>  <Synonyms> (354)
N/A

>  <Target> (354)
kinase

>  <Form> (354)
free base

>  <CAS> (354)
685865-75-2

>  <URL> (354)
N/A

$$$$
WAY-327480
csChFnd80/12302109272D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (355)
360

>  <Formula> (355)
C22H19N3O3S2

>  <MolWeight> (355)
437.53456

>  <Cat> (355)
P3359

>  <Name> (355)
WAY-327480

>  <Synonyms> (355)
N/A

>  <Target> (355)
ROS

>  <Form> (355)
free base

>  <CAS> (355)
687576-28-9

>  <URL> (355)
N/A

$$$$
WAY-328158
csChFnd80/12302109272D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 11  8  2  0  0  0  0
 12  6  1  0  0  0  0
 13  2  1  0  0  0  0
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 21  5  1  0  0  0  0
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M  END
>  <Mol_ID> (356)
361

>  <Formula> (356)
C19H16FN3O3S

>  <MolWeight> (356)
385.4120432

>  <Cat> (356)
P3360

>  <Name> (356)
WAY-328158

>  <Synonyms> (356)
N/A

>  <Target> (356)
BCR-ABL

>  <Form> (356)
free base

>  <CAS> (356)
688050-42-2

>  <URL> (356)
N/A

$$$$
WAY-621129
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (357)
362

>  <Formula> (357)
C16H12O4

>  <MolWeight> (357)
268.26408

>  <Cat> (357)
P3461

>  <Name> (357)
WAY-621129

>  <Synonyms> (357)
N/A

>  <Target> (357)
SIRT6,BCRP/ABCG2,CK2,HIV-1 protease,CDK

>  <Form> (357)
free base

>  <CAS> (357)
6889-78-7

>  <URL> (357)
N/A

$$$$
WAY-621555
csChFnd80/12302109272D

 27 31  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
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 10  8  2  0  0  0  0
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M  END
>  <Mol_ID> (358)
363

>  <Formula> (358)
C22H21N5

>  <MolWeight> (358)
355.43564

>  <Cat> (358)
P3462

>  <Name> (358)
WAY-621555

>  <Synonyms> (358)
N/A

>  <Target> (358)
Casein kinase 1¦Ä

>  <Form> (358)
free base

>  <CAS> (358)
956753-89-2

>  <URL> (358)
N/A

$$$$
WAY-621640
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (359)
364

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C17H15N3O2S

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325.3849

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P3463

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WAY-621640

>  <Synonyms> (359)
N/A

>  <Target> (359)
Casein kinase 1¦Ä

>  <Form> (359)
free base

>  <CAS> (359)
742113-71-9

>  <URL> (359)
N/A

$$$$
WAY-621856
csChFnd80/12302109272D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
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M  END
>  <Mol_ID> (360)
365

>  <Formula> (360)
C16H9N5O3S

>  <MolWeight> (360)
351.33936

>  <Cat> (360)
P3464

>  <Name> (360)
WAY-621856

>  <Synonyms> (360)
N/A

>  <Target> (360)
FGFR

>  <Form> (360)
free base

>  <CAS> (360)
606958-57-0

>  <URL> (360)
N/A

$$$$
WAY-639932
csChFnd80/12302109272D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 12 10  2  0  0  0  0
 13  8  2  0  0  0  0
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 15 11  2  0  0  0  0
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M  END
>  <Mol_ID> (361)
366

>  <Formula> (361)
C17H12N4S2

>  <MolWeight> (361)
336.43398

>  <Cat> (361)
P3497

>  <Name> (361)
WAY-639932

>  <Synonyms> (361)
N/A

>  <Target> (361)
Casein kinase 1¦Ä

>  <Form> (361)
free base

>  <CAS> (361)
851467-69-1

>  <URL> (361)
N/A

$$$$
WAY-660114
csChFnd80/12302109272D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 12  3  1  0  0  0  0
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M  END
>  <Mol_ID> (362)
367

>  <Formula> (362)
C14H9FN6S2

>  <MolWeight> (362)
344.3898632

>  <Cat> (362)
P3527

>  <Name> (362)
WAY-660114

>  <Synonyms> (362)
N/A

>  <Target> (362)
kinase

>  <Form> (362)
free base

>  <CAS> (362)
871317-00-9

>  <URL> (362)
N/A

$$$$
WAY-660222
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
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M  END
>  <Mol_ID> (363)
368

>  <Formula> (363)
C19H13FO

>  <MolWeight> (363)
276.3043232

>  <Cat> (363)
P3528

>  <Name> (363)
WAY-660222

>  <Synonyms> (363)
N/A

>  <Target> (363)
EGFR

>  <Form> (363)
free base

>  <CAS> (363)
867294-23-3

>  <URL> (363)
N/A

$$$$
WAY-660667
csChFnd80/12302109272D

 25 28  0  0  0  0  0  0  0  0999 V2000
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   -1.9583    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4125   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 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
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 24 20  2  0  0  0  0
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  3  5  2  0  0  0  0
  6  8  1  0  0  0  0
 11 10  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (364)
369

>  <Formula> (364)
C17H17N5O3

>  <MolWeight> (364)
339.34858

>  <Cat> (364)
P3529

>  <Name> (364)
WAY-660667

>  <Synonyms> (364)
N/A

>  <Target> (364)
ROS

>  <Form> (364)
free base

>  <CAS> (364)
871218-26-7

>  <URL> (364)
N/A

$$$$
WAY-661516
csChFnd80/12302109272D

 25 26  0  0  0  0  0  0  0  0999 V2000
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   -0.6750   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4417    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10 20  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15 10  2  0  0  0  0
 16 11  2  0  0  0  0
 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19 22  1  0  0  0  0
 20 18  1  0  0  0  0
 21  9  1  0  0  0  0
 22 17  2  0  0  0  0
 23 19  1  0  0  0  0
 24  5  1  0  0  0  0
 25  5  1  0  0  0  0
  4  5  1  0  0  0  0
 19 12  2  0  0  0  0
M  END
>  <Mol_ID> (365)
370

>  <Formula> (365)
C15H15ClFN3O5

>  <MolWeight> (365)
371.7481032

>  <Cat> (365)
P3530

>  <Name> (365)
WAY-661516

>  <Synonyms> (365)
N/A

>  <Target> (365)
Aurora kinase A

>  <Form> (365)
free base

>  <CAS> (365)
875163-98-7

>  <URL> (365)
N/A

$$$$
CL-230482
csChFnd80/12302109272D

 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
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    0.6694    0.8795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
 12 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  5  9  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (366)
371

>  <Formula> (366)
C15H12N2O

>  <MolWeight> (366)
236.26858

>  <Cat> (366)
P3255

>  <Name> (366)
CL-230482

>  <Synonyms> (366)
N/A

>  <Target> (366)
PDGFR

>  <Form> (366)
free base

>  <CAS> (366)
909859-35-4

>  <URL> (366)
N/A

$$$$
WYE-163716-A
csChFnd80/12302109272D

 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
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    4.0596   -1.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (367)
372

>  <Formula> (367)
C15H14N4O2S2

>  <MolWeight> (367)
346.42726

>  <Cat> (367)
P3533

>  <Name> (367)
WYE-163716-A

>  <Synonyms> (367)
N/A

>  <Target> (367)
rRNA ErmC' methyltransferase,F508del-CFTR,PI

>  <Form> (367)
free base

>  <CAS> (367)
92902-64-2

>  <URL> (367)
N/A

$$$$
WYE-175765
csChFnd80/12302109272D

 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
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    0.2583    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0458   -0.4500    0.0000 O   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  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> (368)
373

>  <Formula> (368)
C14H13NO6S

>  <MolWeight> (368)
323.32112

>  <Cat> (368)
P3534

>  <Name> (368)
WYE-175765

>  <Synonyms> (368)
N/A

>  <Target> (368)
JAK3,YopH,antibacterial

>  <Form> (368)
free base

>  <CAS> (368)
956236-35-4

>  <URL> (368)
N/A

$$$$
WYE-175829
csChFnd80/12302109272D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.3792   -0.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0333    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -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> (369)
374

>  <Formula> (369)
C13H14N2O3S

>  <MolWeight> (369)
278.32686

>  <Cat> (369)
P3535

>  <Name> (369)
WYE-175829

>  <Synonyms> (369)
N/A

>  <Target> (369)
tyrosine kinase,gonadotropin-releasing hormo

>  <Form> (369)
free base

>  <CAS> (369)
327093-01-6

>  <URL> (369)
N/A

$$$$
WYE-175837
csChFnd80/12302109272D

 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
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   -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
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    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> (370)
375

>  <Formula> (370)
C14H14N2O2

>  <MolWeight> (370)
242.27316

>  <Cat> (370)
P3536

>  <Name> (370)
WYE-175837

>  <Synonyms> (370)
N/A

>  <Target> (370)
BTK,VEGFR-2,Protein Arginine Deiminase

>  <Form> (370)
free base

>  <CAS> (370)
891-35-0

>  <URL> (370)
N/A

$$$$
WYE-175840
csChFnd80/12302109272D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.2375    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    0.5583   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2500    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3125    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  5  2  0  0  0  0
 14  4  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18  3  1  0  0  0  0
 19  6  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  3  4  1  0  0  0  0
 15 17  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (371)
376

>  <Formula> (371)
C17H19N5O3S

>  <MolWeight> (371)
373.42946

>  <Cat> (371)
P3537

>  <Name> (371)
WYE-175840

>  <Synonyms> (371)
N/A

>  <Target> (371)
Glutamate Racemase,protein kinase-activated 

>  <Form> (371)
free base

>  <CAS> (371)
380432-29-1

>  <URL> (371)
N/A

$$$$
WYE-176092
csChFnd80/12302109272D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.5910    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1331    0.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9531   -0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1669   -1.3511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1090    0.7040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1565    1.9385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4331   -0.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435   -0.5960    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1952    0.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2228   -0.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9435    0.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (372)
377

>  <Formula> (372)
C12H14N2O2S2

>  <MolWeight> (372)
282.38176

>  <Cat> (372)
P3538

>  <Name> (372)
WYE-176092

>  <Synonyms> (372)
N/A

>  <Target> (372)
Anti-infection

>  <Form> (372)
free base

>  <CAS> (372)
121746-06-3

>  <URL> (372)
N/A

$$$$
WAY-333491
csChFnd80/12302109272D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -6.7667    5.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083    6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1375    8.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3625    6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.9417   -0.1917    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
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  6  4  2  0  0  0  0
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  9 14  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  2  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
  6  3  1  0  0  0  0
 12 10  2  0  0  0  0
 19 20  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (373)
378

>  <Formula> (373)
C18H19N5OS

>  <MolWeight> (373)
353.44136

>  <Cat> (373)
P3379

>  <Name> (373)
WAY-333491

>  <Synonyms> (373)
N/A

>  <Target> (373)
LRRK2

>  <Form> (373)
free base

>  <CAS> (373)
852375-30-5

>  <URL> (373)
N/A

$$$$
WAY-333434
csChFnd80/12302109272D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -6.0667    4.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8500    5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 10  4  1  0  0  0  0
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M  END
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>  <Synonyms> (374)
N/A

>  <Target> (374)
Others

>  <Form> (374)
free base

>  <CAS> (374)
721964-45-0

>  <URL> (374)
N/A

$$$$
WAY-662864
csChFnd80/12302109272D

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>  <Mol_ID> (375)
380

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C15H22N4O5S

>  <MolWeight> (375)
370.42398

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P3531

>  <Name> (375)
WAY-662864

>  <Synonyms> (375)
N/A

>  <Target> (375)
UMPK

>  <Form> (375)
free base

>  <CAS> (375)
1621866-83-8

>  <URL> (375)
N/A

$$$$
WAY-278752
csChFnd80/12302109272D

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>  <Mol_ID> (376)
381

>  <Formula> (376)
C14H7Cl2NO3S

>  <MolWeight> (376)
340.18128

>  <Cat> (376)
P3295

>  <Name> (376)
WAY-278752

>  <Synonyms> (376)
N/A

>  <Target> (376)
IGF1R

>  <Form> (376)
free base

>  <CAS> (376)
331652-38-1

>  <URL> (376)
N/A

$$$$
WAY-329594
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (377)
382

>  <Formula> (377)
C14H10BrN3O3S2

>  <MolWeight> (377)
412.2815

>  <Cat> (377)
P3369

>  <Name> (377)
WAY-329594

>  <Synonyms> (377)
N/A

>  <Target> (377)
others

>  <Form> (377)
free base

>  <CAS> (377)
956910-37-5

>  <URL> (377)
N/A

$$$$
WAY-329599
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (378)
383

>  <Formula> (378)
C14H10FN3O3S2

>  <MolWeight> (378)
351.3759032

>  <Cat> (378)
P3371

>  <Name> (378)
WAY-329599

>  <Synonyms> (378)
N/A

>  <Target> (378)
others

>  <Form> (378)
free base

>  <CAS> (378)
956910-38-6

>  <URL> (378)
N/A

$$$$
WAY-329603
csChFnd80/12302109272D

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>  <Mol_ID> (379)
384

>  <Formula> (379)
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>  <MolWeight> (379)
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>  <Cat> (379)
P3372

>  <Name> (379)
WAY-329603

>  <Synonyms> (379)
N/A

>  <Target> (379)
others

>  <Form> (379)
free base

>  <CAS> (379)
956910-39-7

>  <URL> (379)
N/A

$$$$
WAY-329598
csChFnd80/12302109272D

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others

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956910-48-8

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N/A

$$$$
WAY-329607
csChFnd80/12302109272D

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>  <Target> (381)
others

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free base

>  <CAS> (381)
956920-91-5

>  <URL> (381)
N/A

$$$$
WAY-278535
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387

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>  <Synonyms> (382)
N/A

>  <Target> (382)
Pim-1,Pim-2,PPAR

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free base

>  <CAS> (382)
24138-83-8

>  <URL> (382)
N/A

$$$$
untitled.cdx
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388

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>  <MolWeight> (383)
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>  <Cat> (383)
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>  <Name> (383)
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>  <Synonyms> (383)
AL-

>  <Target> (383)
PDGFR, VEGFR

>  <Form> (383)
Free Base

>  <CAS> (383)
796967-16-3

>  <URL> (383)
htt

$$$$
untitled.cdx
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>  <Mol_ID> (384)
389

>  <Formula> (384)
C22H18N4OS

>  <MolWeight> (384)
386.46952

>  <Cat> (384)
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>  <Name> (384)
Axitinib

>  <Synonyms> (384)
AG 

>  <Target> (384)
VEGFR, PDGFR, c-Kit

>  <Form> (384)
Free Base

>  <CAS> (384)
319460-85-0

>  <URL> (384)
htt

$$$$
untitled.cdx
csChFnd80/12302109272D

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390

>  <Formula> (385)
C27H32ClN5O5

>  <MolWeight> (385)
542.02648

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S1006

>  <Name> (385)
Saracatinib 

>  <Synonyms> (385)
N/A

>  <Target> (385)
Src, Bcr-Abl

>  <Form> (385)
Free Base

>  <CAS> (385)
379231-04-6

>  <URL> (385)
htt

$$$$
azd6244.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (386)
391

>  <Formula> (386)
C17H15BrClFN4O3

>  <MolWeight> (386)
457.6814032

>  <Cat> (386)
S1008

>  <Name> (386)
AZD6244 (Sel

>  <Synonyms> (386)
ARR

>  <Target> (386)
MEK

>  <Form> (386)
Free Base

>  <CAS> (386)
606143-52-6

>  <URL> (386)
htt

$$$$
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>  <Mol_ID> (387)
392

>  <Formula> (387)
C31H33N5O4

>  <MolWeight> (387)
539.62482

>  <Cat> (387)
S1010

>  <Name> (387)
Nintedanib (

>  <Synonyms> (387)
N/A

>  <Target> (387)
VEGFR, PDGFR, FGFR

>  <Form> (387)
Free Base

>  <CAS> (387)
656247-17-5

>  <URL> (387)
htt

$$$$
untitled.cdx
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>  <Mol_ID> (388)
393

>  <Formula> (388)
C19H25BN4O4

>  <MolWeight> (388)
384.2372

>  <Cat> (388)
S1013

>  <Name> (388)
Bortezomib (

>  <Synonyms> (388)
MG-

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Proteasome

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179324-69-7

>  <URL> (388)
htt

$$$$
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csChFnd80/12302109272D

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N/A

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Src

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Free Base

>  <CAS> (389)
380843-75-4

>  <URL> (389)
htt

$$$$
untitled.cdx
csChFnd80/12302109272D

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Rec

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VEGFR, Flt

>  <Form> (390)
Free Base

>  <CAS> (390)
288383-20-0

>  <URL> (390)
htt

$$$$
CI1040.cdx
csChFnd80/12302109272D

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MEK 

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212631-79-3

>  <URL> (391)
htt

$$$$
Dasatinib.cdx
csChFnd80/12302109272D

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BMS

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Src, Bcr-Abl, c-Kit

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Free Base

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302962-49-8

>  <URL> (392)
htt

$$$$
untitled.cdx
csChFnd80/12302109272D

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Deforolimus 

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AP2

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mTOR

>  <Form> (393)
Free Base

>  <CAS> (393)
572924-54-0

>  <URL> (393)
htt

$$$$

csChFnd80/12302109272D

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399

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C21H21FN6O

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Dovitinib (T

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N/A

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c-Kit, FGFR, Flt, VEGFR, PDGFR 

>  <Form> (394)
Free base

>  <CAS> (394)
405169-16-6

>  <URL> (394)
htt

$$$$
untitled.cdx
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400

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C22H24ClFN4O3

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Gefitinib (Z

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N/A

>  <Target> (395)
EGFR

>  <Form> (395)
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>  <CAS> (395)
184475-35-2

>  <URL> (395)
htt

$$$$
Imatinib Mesylate.cdx
csChFnd80/12302109272D

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Imatinib Mes

>  <Synonyms> (396)
CGP

>  <Target> (396)
PDGFR, c-Kit, Bcr-Abl

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Mesylate

>  <CAS> (396)
220127-57-1

>  <URL> (396)
htt

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (397)
402

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Lapatinib (G

>  <Synonyms> (397)
GW-

>  <Target> (397)
EGFR, HER2

>  <Form> (397)
Ditosylat

>  <CAS> (397)
388082-77-7

>  <URL> (397)
htt

$$$$
untitled.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (398)
403

>  <Formula> (398)
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>  <MolWeight> (398)
259.26062

>  <Cat> (398)
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>  <Name> (398)
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>  <Synonyms> (398)
CC-

>  <Target> (398)
TNF-alpha

>  <Form> (398)
Free Base

>  <CAS> (398)
191732-72-6

>  <URL> (398)
htt

$$$$
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csChFnd80/12302109272D

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>  <CAS> (400)
641571-10-0

>  <URL> (400)
htt

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>  <URL> (401)
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391210-10-9

>  <URL> (402)
htt

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>  <Mol_ID> (403)
408

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N/A

>  <Target> (403)
DNA-PK, PI3K, mTOR

>  <Form> (403)
Free Base

>  <CAS> (403)
371935-74-9

>  <URL> (403)
htt

$$$$
RAPAMYCIN.cdx
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>  <Mol_ID> (404)
409

>  <Formula> (404)
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>  <Name> (404)
Rapamycin (S

>  <Synonyms> (404)
N/A

>  <Target> (404)
mTOR 

>  <Form> (404)
Free Base

>  <CAS> (404)
53123-88-9

>  <URL> (404)
htt

$$$$

csChFnd80/12302109272D

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>  <Mol_ID> (405)
410

>  <Formula> (405)
C28H24ClF3N4O6S

>  <MolWeight> (405)
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>  <Cat> (405)
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>  <Name> (405)
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>  <Synonyms> (405)
Bay

>  <Target> (405)
VEGFR, PDGFR, Raf

>  <Form> (405)
Tosylate

>  <CAS> (405)
475207-59-1

>  <URL> (405)
htt

$$$$

csChFnd80/12302109272D

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N/A

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VEGFR, PDGFR, c-Kit, Flt

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Malate

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341031-54-7

>  <URL> (406)
htt

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untitled.cdx
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412

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N/A

>  <Target> (407)
Aurora Kinase

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Free Base

>  <CAS> (407)
639089-54-6

>  <URL> (407)
htt

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csChFnd80/12302109272D

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413

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ROCK

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129830-38-2

>  <URL> (408)
htt

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untitled.cdx
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htt

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Akt

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1032350-13-2

>  <URL> (418)
htt

$$$$
untitled.cdx
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424

>  <Formula> (419)
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PKI

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c-Met 

>  <Form> (419)
Free Base

>  <CAS> (419)
658084-23-2

>  <URL> (419)
htt

$$$$
Brivanib.cdx
csChFnd80/12302109272D

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425

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N/A

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VEGFR, FGFR

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Free Base

>  <CAS> (420)
649735-46-6

>  <URL> (420)
htt

$$$$
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csChFnd80/12302109272D

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>  <Mol_ID> (421)
426

>  <Formula> (421)
C28H31N5O

>  <MolWeight> (421)
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>  <Cat> (421)
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>  <Name> (421)
NVP-ADW742

>  <Synonyms> (421)
ADW

>  <Target> (421)
IGF-1R

>  <Form> (421)
Free Base

>  <CAS> (421)
475488-23-4

>  <URL> (421)
htt

$$$$
untitled.cdx
csChFnd80/12302109272D

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htt

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untitled.cdx
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htt

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htt

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htt

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AR-

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PDK-1

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742112-33-0

>  <URL> (430)
htt

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MEK

>  <Form> (431)
Ethanolat

>  <CAS> (431)
1173097-76-1

>  <URL> (431)
htt

$$$$
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C26H30N6O3

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Danusertib (

>  <Synonyms> (432)
N/A

>  <Target> (432)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (432)
Free Base

>  <CAS> (432)
827318-97-8

>  <URL> (432)
htt

$$$$
untitled.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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>  <Form> (439)
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896466-04-9

>  <URL> (439)
htt

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untitled.cdx
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445

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N/A

>  <Target> (440)
HSP

>  <Form> (440)
Free Base

>  <CAS> (440)
75747-14-7

>  <URL> (440)
htt

$$$$

csChFnd80/12302109272D

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446

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>  <Target> (441)
VEGFR, FGFR

>  <Form> (441)
Alaninate

>  <CAS> (441)
649735-63-7

>  <URL> (441)
htt

$$$$
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447

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N/A

>  <Target> (442)
JAK, EGFR

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Free Base

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133550-30-8 

>  <URL> (442)
htt

$$$$
untitled.cdx
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>  <Mol_ID> (443)
448

>  <Formula> (443)
C17H24N4O2S2

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>  <Target> (443)
CDK 

>  <Form> (443)
Free Base

>  <CAS> (443)
345627-80-7

>  <URL> (443)
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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htt

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>  <URL> (451)
htt

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M  END
>  <Mol_ID> (456)
461

>  <Formula> (456)
C23H21F7N4O3

>  <MolWeight> (456)
534.4266624

>  <Cat> (456)
S1189

>  <Name> (456)
Aprepitant (

>  <Synonyms> (456)
MK-

>  <Target> (456)
Substance P

>  <Form> (456)
Free Base

>  <CAS> (456)
170729-80-3

>  <URL> (456)
htt

$$$$
S119401 CUDC-101.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (457)
462

>  <Formula> (457)
C24H26N4O4

>  <MolWeight> (457)
434.48764

>  <Cat> (457)
S1194

>  <Name> (457)
CUDC-101

>  <Synonyms> (457)
N/A

>  <Target> (457)
HDAC, EGFR, HER2

>  <Form> (457)
Free Base

>  <CAS> (457)
1012054-59-9

>  <URL> (457)
htt

$$$$
AV-951.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (458)
463

>  <Formula> (458)
C22H19ClN4O5

>  <MolWeight> (458)
454.86306

>  <Cat> (458)
S1207

>  <Name> (458)
Tivozanib (A

>  <Synonyms> (458)
N/A

>  <Target> (458)
VEGFR, c-Kit, PDGFR

>  <Form> (458)
Free Base

>  <CAS> (458)
475108-18-0

>  <URL> (458)
htt

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (459)
464

>  <Formula> (459)
C27H30ClNO11

>  <MolWeight> (459)
579.9802

>  <Cat> (459)
S1208

>  <Name> (459)
Doxorubicin 

>  <Synonyms> (459)
N/A

>  <Target> (459)
Topoisomerase

>  <Form> (459)
Hydrochlo

>  <CAS> (459)
25316-40-9

>  <URL> (459)
htt

$$$$
OSI-930.cdx
csChFnd80/12302109272D

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c-Kit, VEGFR

>  <Form> (460)
Free Base

>  <CAS> (460)
728033-96-3

>  <URL> (460)
htt

$$$$
KU-0063794.cdx
csChFnd80/12302109272D

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N/A

>  <Target> (461)
mTOR 

>  <Form> (461)
Free Base

>  <CAS> (461)
938440-64-3

>  <URL> (461)
htt

$$$$
MP-470.cdx
csChFnd80/12302109272D

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Amuvatinib (

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N/A

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

>  <Form> (462)
Free Base

>  <CAS> (462)
850879-09-3

>  <URL> (462)
htt

$$$$
leflunomide.cdx
csChFnd80/12302109272D

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>  <Formula> (463)
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Leflunomide

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Ara

>  <Target> (463)
Dehydrogenase

>  <Form> (463)
Free Base

>  <CAS> (463)
75706-12-6

>  <URL> (463)
htt

$$$$
JNJ-7706621.cdx
csChFnd80/12302109272D

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469

>  <Formula> (464)
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394.3559864

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JNJ-7706621

>  <Synonyms> (464)
N/A

>  <Target> (464)
CDK, Aurora Kinase

>  <Form> (464)
Free Base

>  <CAS> (464)
443797-96-4

>  <URL> (464)
htt

$$$$
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csChFnd80/12302109272D

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N/A

>  <Target> (465)
FGFR, VEGFR

>  <Form> (465)
Free Base

>  <CAS> (465)
219580-11-7

>  <URL> (465)
htt

$$$$
WYE-354.cdx
csChFnd80/12302109272D

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471

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C24H29N7O5

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495.53096

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S1266

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WYE-354

>  <Synonyms> (466)
N/A

>  <Target> (466)
mTOR 

>  <Form> (466)
Free Base

>  <CAS> (466)
1062169-56-5

>  <URL> (466)
htt

$$$$
PLX-4032.cdx
csChFnd80/12302109272D

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472

>  <Formula> (467)
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S1267

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Vemurafenib 

>  <Synonyms> (467)
RO5

>  <Target> (467)
Raf 

>  <Form> (467)
Free Base

>  <CAS> (467)
918504-65-1

>  <URL> (467)
htt

$$$$
Genistein.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (468)
473

>  <Formula> (468)
C15H10O5

>  <MolWeight> (468)
270.2369

>  <Cat> (468)
S1342

>  <Name> (468)
Genistein

>  <Synonyms> (468)
N/A

>  <Target> (468)
Topoisomerase
EGFR

>  <Form> (468)
Free Base

>  <CAS> (468)
446-72-0

>  <URL> (468)
htt

$$$$
TG100-115.cdx
csChFnd80/12302109272D

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htt

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htt

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478

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C22H19Cl3N8

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CHIR-99021 (

>  <Synonyms> (473)
N/A

>  <Target> (473)
PI3K/Akt/mTOR

>  <Form> (473)
Hydrochlo

>  <CAS> (473)
252917-06-9 

>  <URL> (473)
htt

$$$$
Pelitinib.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (474)
479

>  <Formula> (474)
C24H23ClFN5O2

>  <MolWeight> (474)
467.9231232

>  <Cat> (474)
S1392

>  <Name> (474)
Pelitinib (E

>  <Synonyms> (474)
WAY

>  <Target> (474)
EGFR

>  <Form> (474)
Free Base

>  <CAS> (474)
257933-82-7

>  <URL> (474)
htt

$$$$
resveratrol.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (475)
480

>  <Formula> (475)
C14H12O3

>  <MolWeight> (475)
228.24328

>  <Cat> (475)
S1396

>  <Name> (475)
Resveratrol

>  <Synonyms> (475)
N/A

>  <Target> (475)
Sirtuin

>  <Form> (475)
Free Base

>  <CAS> (475)
501-36-0

>  <URL> (475)
htt

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (476)
481

>  <Formula> (476)
C31H31ClFN7O2

>  <MolWeight> (476)
588.0749432

>  <Cat> (476)
S1451

>  <Name> (476)
Aurora A Inh

>  <Synonyms> (476)
N/A

>  <Target> (476)
Aurora Kinase

>  <Form> (476)
Free Base

>  <CAS> (476)
1158838-45-9

>  <URL> (476)
htt

$$$$
PHA-6806320.cdx
csChFnd80/12302109272D

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htt

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htt

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>  <Target> (486)
CDK

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>  <CAS> (486)
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>  <URL> (486)
htt

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>  <Form> (487)
Free Base

>  <CAS> (487)
593960-11-3

>  <URL> (487)
htt

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Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

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Free Base

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943319-70-8

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htt

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P52

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mTOR

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Free Base

>  <CAS> (489)
914913-88-5

>  <URL> (489)
htt

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htt

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htt

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Free Base

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857531-00-1

>  <URL> (502)
htt

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N/A

>  <Target> (503)
c-Met

>  <Form> (503)
Free Base

>  <CAS> (503)
1025720-94-8

>  <URL> (503)
htt

$$$$
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N/A

>  <Target> (504)
MEK 

>  <Form> (504)
Free Base

>  <CAS> (504)
391210-00-7 

>  <URL> (504)
htt

$$$$
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>  <Target> (505)
ATM 

>  <Form> (505)
Free Base

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925701-49-1

>  <URL> (505)
htt

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M  END
>  <Mol_ID> (506)
511

>  <Formula> (506)
C22H33ClN6

>  <MolWeight> (506)
416.99062

>  <Cat> (506)
S1572

>  <Name> (506)
BS-181 HCl

>  <Synonyms> (506)
N/A

>  <Target> (506)
CDK 

>  <Form> (506)
Hydrochlo

>  <CAS> (506)
1397219-81-6

>  <URL> (506)
htt

$$$$
Fasudil HCl.cdx
csChFnd80/12302109272D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (507)
512

>  <Formula> (507)
C14H18ClN3O2S

>  <MolWeight> (507)
327.82962

>  <Cat> (507)
S1573

>  <Name> (507)
Fasudil HCl 

>  <Synonyms> (507)
AT-

>  <Target> (507)
ROCK

>  <Form> (507)
Hydrochlo

>  <CAS> (507)
105628-07-7

>  <URL> (507)
htt

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/12302109272D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (508)
513

>  <Formula> (508)
C31H37N5O3

>  <MolWeight> (508)
527.65718

>  <Cat> (508)
S1574

>  <Name> (508)
BIRB 796 (Do

>  <Synonyms> (508)
N/A

>  <Target> (508)
p38 MAPK

>  <Form> (508)
Free Base

>  <CAS> (508)
285983-48-4

>  <URL> (508)
htt

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (509)
514

>  <Formula> (509)
C26H21N3O2S

>  <MolWeight> (509)
439.52884

>  <Cat> (509)
S1577

>  <Name> (509)
Tie2 kinase 

>  <Synonyms> (509)
N/A

>  <Target> (509)
Tie-2

>  <Form> (509)
Free Base

>  <CAS> (509)
948557-43-5

>  <URL> (509)
htt

$$$$

csChFnd80/12302109272D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (515)
520

>  <Formula> (515)
C30H28FN7O3

>  <MolWeight> (515)
553.5868232

>  <Cat> (515)
S2634

>  <Name> (515)
DCC-2036 (Re

>  <Synonyms> (515)
N/A

>  <Target> (515)
Bcr-Abl

>  <Form> (515)
Free Base

>  <CAS> (515)
1020172-07-9

>  <URL> (515)
htt

$$$$
Pitavastatin calcium.cdx
csChFnd80/12302109272D

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M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (516)
521

>  <Formula> (516)
C50H46CaF2N2O8

>  <MolWeight> (516)
880.9836464

>  <Cat> (516)
S1759

>  <Name> (516)
Pitavastatin

>  <Synonyms> (516)
Liv

>  <Target> (516)
HMG-CoA Reductase

>  <Form> (516)
Calcium s

>  <CAS> (516)
147526-32-7

>  <URL> (516)
htt

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/12302109272D

 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> (517)
522

>  <Formula> (517)
C10H13N5O4

>  <MolWeight> (517)
267.24132

>  <Cat> (517)
S1784

>  <Name> (517)
Vidarabine (

>  <Synonyms> (517)
Vir

>  <Target> (517)
5-alpha Reductase 

>  <Form> (517)
Free Base

>  <CAS> (517)
5536-17-4

>  <URL> (517)
htt

$$$$
Acyclovir.cdx
csChFnd80/12302109272D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (518)
523

>  <Formula> (518)
C8H11N5O3

>  <MolWeight> (518)
225.20464

>  <Cat> (518)
S1807

>  <Name> (518)
Acyclovir (A

>  <Synonyms> (518)
Aci

>  <Target> (518)
Antifection

>  <Form> (518)
Free Base

>  <CAS> (518)
59277-89-3 

>  <URL> (518)
htt

$$$$
ADALAT (nifedipine).cdx
csChFnd80/12302109272D

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  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> (519)
524

>  <Formula> (519)
C17H18N2O6

>  <MolWeight> (519)
346.33462

>  <Cat> (519)
S1808

>  <Name> (519)
Nifedipine (

>  <Synonyms> (519)
Ani

>  <Target> (519)
Calcium Channel

>  <Form> (519)
Free Base

>  <CAS> (519)
21829-25-4

>  <URL> (519)
htt

$$$$
Amiloride hydrochloride.cdx
csChFnd80/12302109272D

 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> (520)
525

>  <Formula> (520)
C6H9Cl2N7O

>  <MolWeight> (520)
266.08796

>  <Cat> (520)
S1811

>  <Name> (520)
Amiloride HC

>  <Synonyms> (520)
N/A

>  <Target> (520)
Sodium Channel,Calcium Channel

>  <Form> (520)
Hydrochlo

>  <CAS> (520)
2016-88-8

>  <URL> (520)
htt

$$$$
Baricitinib.cdx
csChFnd80/12302109272D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.7433    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    1.1347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    2.3899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    2.1709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7551    3.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7450    4.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9924    3.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    8.5566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    8.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    6.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260    5.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    6.2928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    8.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968    6.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6324    7.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5433    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2433    2.6124    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
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  3  0  0  0  0
  3  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
 19 21  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  3  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
>  <Mol_ID> (521)
526

>  <Formula> (521)
C16H17N7O2S

>  <MolWeight> (521)
371.41688

>  <Cat> (521)
S2851

>  <Name> (521)
Baricitinib 

>  <Synonyms> (521)
INC

>  <Target> (521)
JAK

>  <Form> (521)
Free Base

>  <CAS> (521)
1187594-09-7

>  <URL> (521)
htt

$$$$
clemastine fumarate.cdx
csChFnd80/12302109272D

 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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
  8 17  1  1  0  0  0
  8 18  1  6  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 13 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  2  0  0  0  0
 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (522)
527

>  <Formula> (522)
C25H30ClNO5

>  <MolWeight> (522)
459.9624

>  <Cat> (522)
S1847

>  <Name> (522)
Clemastine F

>  <Synonyms> (522)
Tav

>  <Target> (522)
Histamine Receptor

>  <Form> (522)
Fumarate

>  <CAS> (522)
14976-57-9

>  <URL> (522)
htt

$$$$
Methylthiouracil.cdx
csChFnd80/12302109272D

  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> (523)
528

>  <Formula> (523)
C5H6N2OS

>  <MolWeight> (523)
142.17894

>  <Cat> (523)
S3138

>  <Name> (523)
Methylthiour

>  <Synonyms> (523)
N/A

>  <Target> (523)
Others

>  <Form> (523)
Free Base

>  <CAS> (523)
20547

>  <URL> (523)
htt

$$$$
MENADIONE (menadione).cdx
csChFnd80/12302109272D

 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> (524)
529

>  <Formula> (524)
C11H8O2

>  <MolWeight> (524)
172.18002

>  <Cat> (524)
S1949

>  <Name> (524)
Menadione

>  <Synonyms> (524)
Vit

>  <Target> (524)
DNA/RNA Synthesis,phosphatase

>  <Form> (524)
Free Base

>  <CAS> (524)
58-27-5

>  <URL> (524)
htt

$$$$
Metformin hydrochloride.cdx
csChFnd80/12302109272D

 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> (525)
530

>  <Formula> (525)
C4H12ClN5

>  <MolWeight> (525)
165.62458

>  <Cat> (525)
S1950

>  <Name> (525)
Metformin hy

>  <Synonyms> (525)
Glu

>  <Target> (525)
Others

>  <Form> (525)
Hydrochlo

>  <CAS> (525)
1115-70-4

>  <URL> (525)
htt

$$$$
Tanshinone IIA.cdx
csChFnd80/12302109272D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (526)
531

>  <Formula> (526)
C19H18O3

>  <MolWeight> (526)
294.34442

>  <Cat> (526)
S2365

>  <Name> (526)
Tanshinone I

>  <Synonyms> (526)
Tan

>  <Target> (526)
Lipase

>  <Form> (526)
Free Base

>  <CAS> (526)
568-72-9

>  <URL> (526)
htt

$$$$
Biochanin A.cdx
csChFnd80/12302109272D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (527)
532

>  <Formula> (527)
C16H12O5

>  <MolWeight> (527)
284.26348

>  <Cat> (527)
S2377

>  <Name> (527)
Biochanin A 

>  <Synonyms> (527)
4-M

>  <Target> (527)
FAAH

>  <Form> (527)
Free Base

>  <CAS> (527)
491-80-5

>  <URL> (527)
htt

$$$$
Diosmetin.cdx
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (528)
533

>  <Formula> (528)
C16H12O6

>  <MolWeight> (528)
300.26288

>  <Cat> (528)
S2380

>  <Name> (528)
Diosmetin (L

>  <Synonyms> (528)
Lut

>  <Target> (528)
P450 (e.g. CYP17)

>  <Form> (528)
Free Base

>  <CAS> (528)
520-34-3

>  <URL> (528)
htt

$$$$
Indirubin.cdx
csChFnd80/12302109272D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (529)
534

>  <Formula> (529)
C16H10N2O2

>  <MolWeight> (529)
262.2628

>  <Cat> (529)
S2386

>  <Name> (529)
Indirubin

>  <Synonyms> (529)
N/A

>  <Target> (529)
GSK-3

>  <Form> (529)
Free Base

>  <CAS> (529)
479-41-4 

>  <URL> (529)
htt

$$$$
AMG 458.cdx
csChFnd80/12302109272D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (530)
535

>  <Formula> (530)
C30H29N5O5

>  <MolWeight> (530)
539.58176

>  <Cat> (530)
S2747

>  <Name> (530)
AMG458

>  <Synonyms> (530)
N/A

>  <Target> (530)
c-Met

>  <Form> (530)
Free Base

>  <CAS> (530)
913376-83-7 

>  <URL> (530)
htt

$$$$
Arry-380.cdx
csChFnd80/12302109272D

 41 46  0  0  0  0  0  0  0  0999 V2000
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937265-83-3

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htt

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PHA-848125.cdx
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CDK

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802539-81-7

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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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YM201636.cdx
csChFnd80/12302109272D

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htt

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htt

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htt

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N/A

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PDK-1 

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Free Base

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702674-56-4

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htt

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c-Met

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Free Base

>  <CAS> (544)
1185763-69-2

>  <URL> (544)
htt

$$$$
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>  <URL> (545)
htt

$$$$

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Dilactic 

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852433-84-2

>  <URL> (546)
htt

$$$$
AST-1306.cdx
csChFnd80/12302109272D

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>  <Target> (547)
EGFR

>  <Form> (547)
Mesylate

>  <CAS> (547)
1050500-29-2

>  <URL> (547)
htt

$$$$
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>  <Target> (548)
CDK

>  <Form> (548)
Free Base

>  <CAS> (548)
582315-72-8

>  <URL> (548)
htt

$$$$
SB505124.cdx
csChFnd80/12302109272D

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N/A

>  <Target> (549)
TGF-beta/Smad 

>  <Form> (549)
Free Base

>  <CAS> (549)
694433-59-5

>  <URL> (549)
htt

$$$$
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>  <Mol_ID> (550)
555

>  <Formula> (550)
C24H25N5O5S

>  <MolWeight> (550)
495.5508

>  <Cat> (550)
S2774

>  <Name> (550)
MK-2461

>  <Synonyms> (550)
N/A

>  <Target> (550)
c-Met, FGFR, PDGFR

>  <Form> (550)
Free Base

>  <CAS> (550)
917879-39-1

>  <URL> (550)
htt

$$$$
Nocodazole.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (551)
556

>  <Formula> (551)
C14H11N3O3S

>  <MolWeight> (551)
301.32044

>  <Cat> (551)
S2775

>  <Name> (551)
Nocodazole

>  <Synonyms> (551)
N/A

>  <Target> (551)
Microtubule Associated

>  <Form> (551)
Free Base

>  <CAS> (551)
31430-18-9

>  <URL> (551)
htt

$$$$
AZD2014.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (552)
557

>  <Formula> (552)
C25H30N6O3

>  <MolWeight> (552)
462.5441

>  <Cat> (552)
S2783

>  <Name> (552)
Vistusertib 

>  <Synonyms> (552)
N/A

>  <Target> (552)
mTOR

>  <Form> (552)
Free Base

>  <CAS> (552)
1009298-59-2

>  <URL> (552)
htt

$$$$
TAK-285.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (553)
558

>  <Formula> (553)
C26H25ClF3N5O3

>  <MolWeight> (553)
547.9566096

>  <Cat> (553)
S2784

>  <Name> (553)
TAK-285

>  <Synonyms> (553)
N/A

>  <Target> (553)
EGFR, HER2

>  <Form> (553)
Free Base

>  <CAS> (553)
871026-44-7

>  <URL> (553)
htt

$$$$
CP-690550.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (554)
559

>  <Formula> (554)
C16H20N6O

>  <MolWeight> (554)
312.3696

>  <Cat> (554)
S2789

>  <Name> (554)
Tofacitinib 

>  <Synonyms> (554)
Tas

>  <Target> (554)
JAK

>  <Form> (554)
Free Base

>  <CAS> (554)
477600-75-2

>  <URL> (554)
htt

$$$$
WP1066.cdx
csChFnd80/12302109272D

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htt

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htt

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htt

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>  <Target> (572)
Raf, VEGFR

>  <Form> (572)
Free Base

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927880-90-8

>  <URL> (572)
htt

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Daphnetin

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N/A

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DNA/RNA Synthesis

>  <Form> (573)
Free Base

>  <CAS> (573)
486-35-1

>  <URL> (573)
htt

$$$$
LY2784544.cdx
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Gandotinib (

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N/A

>  <Target> (574)
JAK 

>  <Form> (574)
Free Base

>  <CAS> (574)
1229236-86-5

>  <URL> (574)
htt

$$$$
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>  <Formula> (575)
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>  <Target> (575)
EGFR, HER2

>  <Form> (575)
Free Base

>  <CAS> (575)
848942-61-0

>  <URL> (575)
htt

$$$$
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htt

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900185-01-5 

>  <URL> (582)
htt

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Free Base

>  <CAS> (583)
905586-69-8

>  <URL> (583)
htt

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htt

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TOR

>  <Target> (585)
mTOR

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Free Base

>  <CAS> (585)
1092351-67-1

>  <URL> (585)
htt

$$$$
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JAK 

>  <Form> (586)
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1056634-68-4

>  <URL> (586)
htt

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>  <URL> (587)
htt

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>  <Formula> (588)
C22H18O11

>  <MolWeight> (588)
458.37172

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S2250

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(-)-Epigallo

>  <Synonyms> (588)
EGC

>  <Target> (588)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (588)
Free Base

>  <CAS> (588)
989-51-5

>  <URL> (588)
htt

$$$$
(+)-Usniacin.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (589)
594

>  <Formula> (589)
C18H16O7

>  <MolWeight> (589)
344.31544

>  <Cat> (589)
S2252

>  <Name> (589)
(+)-Usniacin

>  <Synonyms> (589)
D-U

>  <Target> (589)
Others

>  <Form> (589)
Free Base

>  <CAS> (589)
7562-61-0

>  <URL> (589)
htt

$$$$
AESCULIN.cdx
csChFnd80/12302109272D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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>  <Mol_ID> (590)
595

>  <Formula> (590)
C15H16O9

>  <MolWeight> (590)
340.28214

>  <Cat> (590)
S2258

>  <Name> (590)
Aesculin (Es

>  <Synonyms> (590)
Esc

>  <Target> (590)
Others

>  <Form> (590)
Free Base

>  <CAS> (590)
531-75-9

>  <URL> (590)
htt

$$$$
Apigenin.cdx
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (591)
596

>  <Formula> (591)
C15H10O5

>  <MolWeight> (591)
270.2369

>  <Cat> (591)
S2262

>  <Name> (591)
Apigenin

>  <Synonyms> (591)
N/A

>  <Target> (591)
P450

>  <Form> (591)
Free Base

>  <CAS> (591)
520-36-5

>  <URL> (591)
htt

$$$$
Asiatic acid.cdx
csChFnd80/12302109272D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (592)
597

>  <Formula> (592)
C30H48O5

>  <MolWeight> (592)
488.69912

>  <Cat> (592)
S2266

>  <Name> (592)
Asiatic acid

>  <Synonyms> (592)
N/A

>  <Target> (592)
p38 MAPK

>  <Form> (592)
Free Base

>  <CAS> (592)
464-92-6

>  <URL> (592)
htt

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/12302109272D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (593)
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Berberine ch

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N/A

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Antifection

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chloride

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633-65-8

>  <URL> (593)
htt

$$$$
Cryptotanshinone.cdx
csChFnd80/12302109272D

 22 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (594)
599

>  <Formula> (594)
C19H20O3

>  <MolWeight> (594)
296.3603

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S2285

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Cryptotanshi

>  <Synonyms> (594)
N/A

>  <Target> (594)
STAT

>  <Form> (594)
Free Base

>  <CAS> (594)
35825-57-1

>  <URL> (594)
htt

$$$$
Emodin.cdx
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (595)
600

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270.2369

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S2295

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Emodin

>  <Synonyms> (595)
N/A

>  <Target> (595)
Dehydrogenase

>  <Form> (595)
Free Base

>  <CAS> (595)
518-82-1

>  <URL> (595)
htt

$$$$
Formononetin.cdx
csChFnd80/12302109272D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (596)
601

>  <Formula> (596)
C16H12O4

>  <MolWeight> (596)
268.26408

>  <Cat> (596)
S2299

>  <Name> (596)
Formononetin

>  <Synonyms> (596)
Bio

>  <Target> (596)
Others

>  <Form> (596)
Free Base

>  <CAS> (596)
485-72-3

>  <URL> (596)
htt

$$$$
Fumalic acid.cdx
csChFnd80/12302109272D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (597)
602

>  <Formula> (597)
C10H10O4

>  <MolWeight> (597)
194.184

>  <Cat> (597)
S2300

>  <Name> (597)
Fumalic acid

>  <Synonyms> (597)
Fer

>  <Target> (597)
Others

>  <Form> (597)
Free Base

>  <CAS> (597)
1135-24-6

>  <URL> (597)
htt

$$$$
Hesperetin.cdx
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (598)
603

>  <Formula> (598)
C16H14O6

>  <MolWeight> (598)
302.27876

>  <Cat> (598)
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Hesperetin

>  <Synonyms> (598)
N/A

>  <Target> (598)
Histamine Receptor

>  <Form> (598)
Free Base

>  <CAS> (598)
520-33-2

>  <URL> (598)
htt

$$$$
Honokiol.cdx
csChFnd80/12302109272D

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>  <Form> (599)
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>  <CAS> (599)
35354-74-6

>  <URL> (599)
htt

$$$$
Myricetin.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (600)
605

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C15H10O8

>  <MolWeight> (600)
318.2351

>  <Cat> (600)
S2326

>  <Name> (600)
Myricetin (C

>  <Synonyms> (600)
Can

>  <Target> (600)
NULL

>  <Form> (600)
Free Base

>  <CAS> (600)
529-44-2

>  <URL> (600)
htt

$$$$
Myricitrin.cdx
csChFnd80/12302109272D

 33 36  0  0  0  0  0  0  0  0999 V2000
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606

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C21H20O12

>  <MolWeight> (601)
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>  <Synonyms> (601)
Myr

>  <Target> (601)
PKC

>  <Form> (601)
Free Base

>  <CAS> (601)
17912-87-7

>  <URL> (601)
htt

$$$$
Oridonin.cdx
csChFnd80/12302109272D

 28 32  0  0  0  0  0  0  0  0999 V2000
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607

>  <Formula> (602)
C20H28O6

>  <MolWeight> (602)
364.43272

>  <Cat> (602)
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>  <Synonyms> (602)
Iso

>  <Target> (602)
Others

>  <Form> (602)
Free Base

>  <CAS> (602)
28957-04-2

>  <URL> (602)
htt

$$$$
Quercetin dihydrate.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (603)
608

>  <Formula> (603)
C15H14O9

>  <MolWeight> (603)
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>  <Cat> (603)
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>  <Synonyms> (603)
Sop

>  <Target> (603)
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>  <CAS> (603)
6151-25-3

>  <URL> (603)
htt

$$$$
Dihydromyricetin.cdx
csChFnd80/12302109272D

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    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  1  0  0  0
  9 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (604)
609

>  <Formula> (604)
C15H12O8

>  <MolWeight> (604)
320.25098

>  <Cat> (604)
S2399

>  <Name> (604)
Dihydromyric

>  <Synonyms> (604)
Amp

>  <Target> (604)
Others

>  <Form> (604)
Free Base

>  <CAS> (604)
27200-12-0

>  <URL> (604)
htt

$$$$
Sophocarpine.cdx
csChFnd80/12302109272D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  1  1  0  0  0
 10 20  1  6  0  0  0
  9 21  1  6  0  0  0
  8 22  1  6  0  0  0
M  END
>  <Mol_ID> (605)
610

>  <Formula> (605)
C15H22N2O

>  <MolWeight> (605)
246.34798

>  <Cat> (605)
S2405

>  <Name> (605)
Sophocarpine

>  <Synonyms> (605)
N/A

>  <Target> (605)
Others

>  <Form> (605)
Free Base

>  <CAS> (605)
6483-15-4

>  <URL> (605)
htt

$$$$
Chrysophanic acid.cdx
csChFnd80/12302109272D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (606)
611

>  <Formula> (606)
C15H10O4

>  <MolWeight> (606)
254.2375

>  <Cat> (606)
S2406

>  <Name> (606)
Chrysophanic

>  <Synonyms> (606)
Chr

>  <Target> (606)
EGFR, mTOR

>  <Form> (606)
Free Base

>  <CAS> (606)
481-74-3

>  <URL> (606)
htt

$$$$
Curcumol.cdx
csChFnd80/12302109272D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (607)
612

>  <Formula> (607)
C15H24O2

>  <MolWeight> (607)
236.34986

>  <Cat> (607)
S2407

>  <Name> (607)
Curcumol

>  <Synonyms> (607)
N/A

>  <Target> (607)
JAK

>  <Form> (607)
Free Base

>  <CAS> (607)
4871-97-0

>  <URL> (607)
htt

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/12302109272D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.2620    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (608)
613

>  <Formula> (608)
C18H29ClN2O

>  <MolWeight> (608)
324.88866

>  <Cat> (608)
S2454

>  <Name> (608)
Bupivacaine 

>  <Synonyms> (608)
Mar

>  <Target> (608)
Sodium Channel

>  <Form> (608)
Hydrochlo

>  <CAS> (608)
18010-40-7

>  <URL> (608)
sel

$$$$
Imatinib.cdx
csChFnd80/12302109272D

 37 41  0  0  0  0  0  0  0  0999 V2000
    4.8371   10.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (613)
618

>  <Formula> (613)
C28H21N7OS

>  <MolWeight> (613)
503.57764

>  <Cat> (613)
S2719

>  <Name> (613)
AMG 900

>  <Synonyms> (613)
N/A

>  <Target> (613)
Aurora Kinase

>  <Form> (613)
Free Base

>  <CAS> (613)
945595-80-2

>  <URL> (613)
htt

$$$$

csChFnd80/12302109272D

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>  <Mol_ID> (614)
619

>  <Formula> (614)
C22H30Cl2N4O6

>  <MolWeight> (614)
517.4028

>  <Cat> (614)
S2485

>  <Name> (614)
Mitoxantrone

>  <Synonyms> (614)
NSC

>  <Target> (614)
Topoisomerase

>  <Form> (614)
Dihydroch

>  <CAS> (614)
70476-82-3

>  <URL> (614)
htt

$$$$
GSK2126458.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (615)
620

>  <Formula> (615)
C25H17F2N5O3S

>  <MolWeight> (615)
505.4959864

>  <Cat> (615)
S2658

>  <Name> (615)
Omipalisib (

>  <Synonyms> (615)
N/A

>  <Target> (615)
PI3K, mTOR

>  <Form> (615)
Free Base

>  <CAS> (615)
1086062-66-9

>  <URL> (615)
htt

$$$$
fty720.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (616)
621

>  <Formula> (616)
C19H34ClNO2

>  <MolWeight> (616)
343.93176

>  <Cat> (616)
S5002

>  <Name> (616)
Fingolimod (

>  <Synonyms> (616)
Gil

>  <Target> (616)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (616)
Hydrochlo

>  <URL> (616)
htt

$$$$
CP-690550 citrate.cdx
csChFnd80/12302109272D

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htt

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N/A

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PI3K 

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Free Base

>  <CAS> (620)
900185-02-6

>  <URL> (620)
htt

$$$$
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csChFnd80/12302109272D

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N/A

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VEGFR, PDGFR, c-Kit

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332012-40-5

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htt

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csChFnd80/12302109272D

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N/A

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AMPK

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Hydrochlo

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834-28-6

>  <URL> (622)
htt

$$$$
AZD5438.cdx
csChFnd80/12302109272D

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>  <Form> (623)
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602306-29-6 

>  <URL> (623)
htt

$$$$
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csChFnd80/12302109272D

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mTOR

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>  <URL> (624)
htt

$$$$
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>  <Mol_ID> (625)
630

>  <Formula> (625)
C17H17N7

>  <MolWeight> (625)
319.36378

>  <Cat> (625)
S2622

>  <Name> (625)
PP-121

>  <Synonyms> (625)
N/A

>  <Target> (625)
DNA-PK, mTOR, PDGF

>  <Form> (625)
Free Base

>  <CAS> (625)
1092788-83-4

>  <URL> (625)
htt

$$$$
WP1130.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (626)
631

>  <Formula> (626)
C19H18BrN3O

>  <MolWeight> (626)
384.26972

>  <Cat> (626)
S2243

>  <Name> (626)
Degrasyn (WP

>  <Synonyms> (626)
N/A

>  <Target> (626)
DUB, Bcr-Abl

>  <Form> (626)
Free Base

>  <CAS> (626)
856243-80-6

>  <URL> (626)
htt

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (627)
632

>  <Formula> (627)
C11H18ClNO3

>  <MolWeight> (627)
247.71852

>  <Cat> (627)
S2566

>  <Name> (627)
Isoprenaline

>  <Synonyms> (627)
Isu

>  <Target> (627)
Adrenergic Receptor

>  <Form> (627)
Hydrochlo

>  <CAS> (627)
51-30-9

>  <URL> (627)
htt

$$$$
BKM-120.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (628)
633

>  <Formula> (628)
C18H21F3N6O2

>  <MolWeight> (628)
410.3935496

>  <Cat> (628)
S2247

>  <Name> (628)
BKM120 (NVP-

>  <Synonyms> (628)
N/A

>  <Target> (628)
PI3K

>  <Form> (628)
Free Base

>  <CAS> (628)
944396-07-0

>  <URL> (628)
htt

$$$$
CX-4945.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (629)
634

>  <Formula> (629)
C19H12ClN3O2

>  <MolWeight> (629)
349.77048

>  <Cat> (629)
S2248

>  <Name> (629)
cx-4945 (Sil

>  <Synonyms> (629)
N/A

>  <Target> (629)
PKC

>  <Form> (629)
Free Base

>  <CAS> (629)
1009820-21-6

>  <URL> (629)
htt

$$$$
LY2157299.cdx
csChFnd80/12302109272D

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htt

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htt

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N/A

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JAK 

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Free Base

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936091-26-8

>  <URL> (658)
htt

$$$$
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N/A

>  <Target> (659)
Kinesin

>  <Form> (659)
Free Base

>  <CAS> (659)
1124329-14-1

>  <URL> (659)
htt

$$$$
CH2132799.cdx
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N/A

>  <Target> (660)
PI3K, mTOR

>  <Form> (660)
Free Base

>  <CAS> (660)
1007207-67-1

>  <URL> (660)
htt

$$$$
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csChFnd80/12302109272D

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>  <Synonyms> (661)
N/A

>  <Target> (661)
mTOR, PI3K

>  <Form> (661)
Free Base

>  <CAS> (661)
1032754-93-0

>  <URL> (661)
htt

$$$$
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htt

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M  END
>  <Mol_ID> (671)
676

>  <Formula> (671)
C22H27N5O4

>  <MolWeight> (671)
425.48088

>  <Cat> (671)
S2743

>  <Name> (671)
PF-04691502

>  <Synonyms> (671)
N/A

>  <Target> (671)
mTOR, PI3K, Akt

>  <Form> (671)
Free Base

>  <CAS> (671)
1013101-36-4

>  <URL> (671)
htt

$$$$
Benidipine hydrochloride.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (672)
677

>  <Formula> (672)
C28H32ClN3O6

>  <MolWeight> (672)
542.02318

>  <Cat> (672)
S2017

>  <Name> (672)
Benidipine h

>  <Synonyms> (672)
N/A

>  <Target> (672)
calcium channel

>  <Form> (672)
Hydrochlo

>  <CAS> (672)
91599-74-5

>  <URL> (672)
htt

$$$$
Lonidamine.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (673)
678

>  <Formula> (673)
C15H10Cl2N2O2

>  <MolWeight> (673)
321.1581

>  <Cat> (673)
S2610

>  <Name> (673)
Lonidamine

>  <Synonyms> (673)
N/A

>  <Target> (673)
Others

>  <Form> (673)
Free Base

>  <CAS> (673)
50264-69-2

>  <URL> (673)
htt

$$$$
CP 673451.cdx
csChFnd80/12302109272D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (674)
679

>  <Formula> (674)
C24H27N5O2

>  <MolWeight> (674)
417.50348

>  <Cat> (674)
S1536

>  <Name> (674)
CP 673451

>  <Synonyms> (674)
CP6

>  <Target> (674)
Others

>  <Form> (674)
Free Base

>  <CAS> (674)
343787-29-1

>  <URL> (674)
htt

$$$$
Acarbose.cdx
csChFnd80/12302109272D

 44 47  0  0  0  0  0  0  0  0999 V2000
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htt

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csChFnd80/12302109272D

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Lidocaine (A

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Histamine Receptor

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137-58-6

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htt

$$$$
PHA.cdx
csChFnd80/12302109272D

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PHA-767491

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CDK

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845714-00-3

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htt

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Sodium salicylate.cdx
csChFnd80/12302109272D

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54-21-7

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htt

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TPCA-1.cdx
csChFnd80/12302109272D

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IKK

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507475-17-4

>  <URL> (679)
htt

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AZD 6482.cdx
csChFnd80/12302109272D

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1173900-33-8

>  <URL> (680)
htt

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csChFnd80/12302109272D

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M  END
>  <Mol_ID> (694)
699

>  <Formula> (694)
C18H22N2O

>  <MolWeight> (694)
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Tyrphostin 9

>  <Synonyms> (694)
Tyr

>  <Target> (694)
EGFR

>  <Form> (694)
Free Base

>  <CAS> (694)
10537-47-0

>  <URL> (694)
htt

$$$$
ZM323881 HCl.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (695)
700

>  <Formula> (695)
C22H19ClFN3O2

>  <MolWeight> (695)
411.8565632

>  <Cat> (695)
S2896

>  <Name> (695)
ZM 323881 HC

>  <Synonyms> (695)
N/A

>  <Target> (695)
VEGFR

>  <Form> (695)
Hydrochlo

>  <CAS> (695)
193000-39-4

>  <URL> (695)
htt

$$$$
ZM306416.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (696)
701

>  <Formula> (696)
C16H13ClFN3O2

>  <MolWeight> (696)
333.7447232

>  <Cat> (696)
S2897

>  <Name> (696)
ZM 306416

>  <Synonyms> (696)
N/A

>  <Target> (696)
VEGFR

>  <Form> (696)
Free Base

>  <CAS> (696)
690206-97-4

>  <URL> (696)
htt

$$$$
S-Ruxolitinib.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (697)
702

>  <Formula> (697)
C17H18N6

>  <MolWeight> (697)
306.36502

>  <Cat> (697)
S2902

>  <Name> (697)
S-Ruxolitini

>  <Synonyms> (697)
N/A

>  <Target> (697)
JAK

>  <Form> (697)
Free Base

>  <CAS> (697)
941685-37-6

>  <URL> (697)
htt

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (698)
703

>  <Formula> (698)
C19H21ClFNO3

>  <MolWeight> (698)
365.8263432

>  <Cat> (698)
S3005

>  <Name> (698)
Paroxetine H

>  <Synonyms> (698)
N/A

>  <Target> (698)
5-HT Receptor

>  <Form> (698)
Hydrochlo

>  <CAS> (698)
78246-49-8

>  <URL> (698)
htt

$$$$
PF477736.cdx
csChFnd80/12302109272D

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htt

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htt

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 10  6  1  0  0  0  0
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M  END
>  <Mol_ID> (708)
713

>  <Formula> (708)
C20H22BrCl2N3O2S

>  <MolWeight> (708)
519.28258

>  <Cat> (708)
S1582

>  <Name> (708)
H 89 2HCl

>  <Synonyms> (708)
N/A

>  <Target> (708)
S6 Kinase

>  <Form> (708)
Dihydroch

>  <CAS> (708)
130964-39-5

>  <URL> (708)
htt

$$$$
Oxfendazole.cdx
csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 14  2  1  0  0  0  0
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 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (709)
714

>  <Formula> (709)
C15H13N3O3S

>  <MolWeight> (709)
315.34702

>  <Cat> (709)
S1830

>  <Name> (709)
Oxfendazole

>  <Synonyms> (709)
N/A

>  <Target> (709)
Antifection

>  <Form> (709)
Free Base

>  <CAS> (709)
53716-50-0

>  <URL> (709)
htt

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/12302109272D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (710)
715

>  <Formula> (710)
C18H23Cl2NO

>  <MolWeight> (710)
340.28732

>  <Cat> (710)
S2499

>  <Name> (710)
Phenoxybenza

>  <Synonyms> (710)
N/A

>  <Target> (710)
Androgen Receptor

>  <Form> (710)
HCl

>  <CAS> (710)
63-92-3

>  <URL> (710)
htt

$$$$
Pazopanib.cdx
csChFnd80/12302109272D

 31 34  0  0  0  0  0  0  0  0999 V2000
   14.4663    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (711)
716

>  <Formula> (711)
C21H23N7O2S

>  <MolWeight> (711)
437.51802

>  <Cat> (711)
S3012

>  <Name> (711)
Pazopanib

>  <Synonyms> (711)
N/A

>  <Target> (711)
VEGFR

>  <Form> (711)
Free Base

>  <CAS> (711)
444731-52-6

>  <URL> (711)
htt

$$$$
BAY 11-7082.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (712)
717

>  <Formula> (712)
C10H9NO2S

>  <MolWeight> (712)
207.24896

>  <Cat> (712)
S2913

>  <Name> (712)
BAY 11-7082 

>  <Synonyms> (712)
N/A

>  <Target> (712)
I¦ÊB/IKK

>  <Form> (712)
Free Base

>  <CAS> (712)
19542-67-7

>  <URL> (712)
htt

$$$$
GNF-2.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (713)
718

>  <Formula> (713)
C18H13F3N4O2

>  <MolWeight> (713)
374.3166296

>  <Cat> (713)
S2899

>  <Name> (713)
GNF-2

>  <Synonyms> (713)
N/A

>  <Target> (713)
Bcr-Abl

>  <Form> (713)
Free Base

>  <CAS> (713)
778270-11-4

>  <URL> (713)
htt

$$$$
OSI-906.cdx
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htt

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aicar.cdx
csChFnd80/12302109272D

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htt

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csChFnd80/12302109272D

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Cabozantinib

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N/A

>  <Target> (716)
VEGFR

>  <Form> (716)
Malate

>  <CAS> (716)
1140909-48-3

>  <URL> (716)
htt

$$$$
PF-04708671.cdx
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>  <Target> (717)
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>  <Form> (717)
Free Base

>  <CAS> (717)
1255517-76-0

>  <URL> (717)
htt

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csChFnd80/12302109272D

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M  END
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354812-17-2

>  <URL> (721)
htt

$$$$
Doxapram HCl.cdx
csChFnd80/12302109272D

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727

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Doxapram HCl

>  <Synonyms> (722)
N/A

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Potassium Channel

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HCl

>  <CAS> (722)
7081-53-0

>  <URL> (722)
htt

$$$$
nifuroxazide.cdx
csChFnd80/12302109272D

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728

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C12H9N3O5

>  <MolWeight> (723)
275.21696

>  <Cat> (723)
S4182

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Nifuroxazide

>  <Synonyms> (723)
N/A

>  <Target> (723)
STAT

>  <Form> (723)
Free Base

>  <CAS> (723)
965-52-6

>  <URL> (723)
htt

$$$$
MDBN.cdx
csChFnd80/12302109272D

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729

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C9H7NO4

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Tyrosinase,p97,Syk,Src

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Free Base

>  <CAS> (724)
1485-00-3

>  <URL> (724)
htt

$$$$
VX-745.cdx
csChFnd80/12302109272D

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730

>  <Formula> (725)
C19H9Cl2F2N3OS

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436.2620664

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S1458

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VX-745

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N/A

>  <Target> (725)
p38 MAPK 

>  <Form> (725)
Free Base

>  <CAS> (725)
209410-46-8

>  <URL> (725)
htt

$$$$
untitled.cdx
csChFnd80/12302109272D

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731

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C13H16N6O4

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Akt

>  <Form> (726)
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>  <CAS> (726)
35943-35-2

>  <URL> (726)
htt

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/12302109272D

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480-18-2

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htt

$$$$
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htt

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Refametinib (RDEA119, Bay 86-9766) .cdx
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MEK

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>  <CAS> (729)
923032-37-5

>  <URL> (729)
htt

$$$$
Dicoumarol.cdx
csChFnd80/12302109272D

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>  <Synonyms> (730)
Dic

>  <Target> (730)
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>  <Form> (730)
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66-76-2

>  <URL> (730)
htt

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>  <Mol_ID> (731)
736

>  <Formula> (731)
C24H25ClFN5O3

>  <MolWeight> (731)
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>  <Cat> (731)
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>  <Name> (731)
Afatinib (BI

>  <Synonyms> (731)
N/A

>  <Target> (731)
EGFR

>  <Form> (731)
Free Base

>  <CAS> (731)
439081-18-2

>  <URL> (731)
htt

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/12302109272D

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>  <Mol_ID> (732)
737

>  <Formula> (732)
C44H69NO12

>  <MolWeight> (732)
804.01816

>  <Cat> (732)
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>  <Name> (732)
Tacrolimus (

>  <Synonyms> (732)
FR9

>  <Target> (732)
mTOR

>  <Form> (732)
Free Base

>  <CAS> (732)
104987-11-3

>  <URL> (732)
htt

$$$$
R-Ruxolitinib.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (733)
738

>  <Formula> (733)
C17H18N6

>  <MolWeight> (733)
306.36502

>  <Cat> (733)
S1378

>  <Name> (733)
Ruxolitinib 

>  <Synonyms> (733)
N/A

>  <Target> (733)
JAK

>  <Form> (733)
Free Base

>  <CAS> (733)
941678-49-5

>  <URL> (733)
htt

$$$$
Temsirolimus.cdx
csChFnd80/12302109272D

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htt

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S1263.cdx
csChFnd80/12302109272D

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252917-06-9

>  <URL> (738)
htt

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/12302109272D

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744

>  <Formula> (739)
C21H20ClNO5

>  <MolWeight> (739)
401.8402

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S1230

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Flavopiridol

>  <Synonyms> (739)
NSC

>  <Target> (739)
CDK

>  <Form> (739)
Free Base

>  <CAS> (739)
146426-40-6

>  <URL> (739)
htt

$$$$
6-Benzylaminopurine.cdx
csChFnd80/12302109272D

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745

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>  <MolWeight> (740)
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N/A

>  <Target> (740)
Others

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1214-39-7

>  <URL> (740)
htt

$$$$

csChFnd80/12302109272D

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Citric acid 

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Tri

>  <Target> (741)
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>  <Form> (741)
Free Base

>  <CAS> (741)
6080-58-6

>  <URL> (741)
htt

$$$$
Danthron.cdx
csChFnd80/12302109272D

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chr

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>  <Form> (742)
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>  <CAS> (742)
117-10-2

>  <URL> (742)
htt

$$$$
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csChFnd80/12302109272D

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hydrochlo

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73-78-9

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htt

$$$$
S4711 Esculetin.cdx
csChFnd80/12302109272D

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Cic

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Free Base

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305-01-1

>  <URL> (744)
htt

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/12302109272D

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750

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>  <MolWeight> (745)
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2-d

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154-17-6

>  <URL> (745)
htt

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/12302109272D

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751

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Perphenazine

>  <Synonyms> (746)
Per

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Dopamine Receptor

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Free Base

>  <CAS> (746)
58-39-9

>  <URL> (746)
htt

$$$$

csChFnd80/12302109272D

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752

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>  <Cat> (747)
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>  <Synonyms> (747)
N/A

>  <Target> (747)
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Free Base

>  <CAS> (747)
1919820-28-2

>  <URL> (747)
htt

$$$$
S4736 Trapidil.cdx
csChFnd80/12302109272D

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>  <Cat> (748)
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>  <Target> (748)
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>  <Form> (748)
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>  <CAS> (748)
15421-84-8

>  <URL> (748)
htt

$$$$
S4743 Wogonin.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (749)
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>  <MolWeight> (749)
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>  <Cat> (749)
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Wogonin

>  <Synonyms> (749)
Vog

>  <Target> (749)
CDK

>  <Form> (749)
Free Base

>  <CAS> (749)
632-85-9

>  <URL> (749)
htt

$$$$
NS-187.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (750)
755

>  <Formula> (750)
C30H31F3N8O

>  <MolWeight> (750)
576.6153496

>  <Cat> (750)
S1369

>  <Name> (750)
Bafetinib (I

>  <Synonyms> (750)
NS-

>  <Target> (750)
Abl,Lyn

>  <Form> (750)
Free Base

>  <CAS> (750)
859212-16-1

>  <URL> (750)
htt

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (751)
756

>  <Formula> (751)
C37H42Cl2N2O6

>  <MolWeight> (751)
681.64518

>  <Cat> (751)
S3609

>  <Name> (751)
Berbamine (d

>  <Synonyms> (751)
N/A

>  <Target> (751)
NF-¦ÊB,bcr/abl

>  <Form> (751)
dihydroch

>  <CAS> (751)
6078-17-7

>  <URL> (751)
htt

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (752)
757

>  <Formula> (752)
C18H16O8

>  <MolWeight> (752)
360.31484

>  <Cat> (752)
S3612

>  <Name> (752)
Rosmarinic a

>  <Synonyms> (752)
Ros

>  <Target> (752)
IKK ¦Â

>  <Form> (752)
free base

>  <CAS> (752)
20283-92-5

>  <URL> (752)
htt

$$$$
S3606 Fangchinoline.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (753)
758

>  <Formula> (753)
C37H40N2O6

>  <MolWeight> (753)
608.7233

>  <Cat> (753)
S3606

>  <Name> (753)
Fangchinolin

>  <Synonyms> (753)
N/A

>  <Target> (753)
HIV-1

>  <Form> (753)
free base

>  <CAS> (753)
33889-68-8

>  <URL> (753)
htt

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (754)
759

>  <Formula> (754)
C4H7NO2

>  <MolWeight> (754)
101.10388

>  <Cat> (754)
S3699

>  <Name> (754)
2,3-Butanedi

>  <Synonyms> (754)
Dia

>  <Target> (754)
skeletal muscle myosin-II

>  <Form> (754)
free base

>  <CAS> (754)
57-71-6

>  <URL> (754)
htt

$$$$
S3616 Asiaticoside.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (755)
760

>  <Formula> (755)
C48H78O19

>  <MolWeight> (755)
959.12152

>  <Cat> (755)
S3616

>  <Name> (755)
Asiaticoside

>  <Synonyms> (755)
Ba 

>  <Target> (755)
Others

>  <Form> (755)
free base

>  <CAS> (755)
16830-15-2

>  <URL> (755)
htt

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/12302109272D

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htt

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csChFnd80/12302109272D

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    9.4038    2.4240    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   10.1042    1.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1034    3.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2038    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2046    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6038    2.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5034    3.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6046    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042    1.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3034    3.6380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7034    3.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2159    3.8193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0691    5.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6996    5.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9371    3.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (762)
767

>  <Formula> (762)
C19H18N4O2S

>  <MolWeight> (762)
366.43682

>  <Cat> (762)
S3666

>  <Name> (762)
Ilaprazole

>  <Synonyms> (762)
IY-

>  <Target> (762)
Proton pump,TOPK 

>  <Form> (762)
free base

>  <CAS> (762)
172152-36-2

>  <URL> (762)
htt

$$$$
S3939 4'-Methoxyresveratrol.cdx
csChFnd80/12302109272D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.2831    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (763)
768

>  <Formula> (763)
C15H14O3

>  <MolWeight> (763)
242.26986

>  <Cat> (763)
S3939

>  <Name> (763)
4'-Methoxyre

>  <Synonyms> (763)
N/A

>  <Target> (763)
Others

>  <Form> (763)
free base

>  <CAS> (763)
33626-08-3

>  <URL> (763)
htt

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/12302109272D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.6900    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    7.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2652    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0527    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    2.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    2.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    0.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    4.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1149    7.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    8.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (764)
769

>  <Formula> (764)
C16H16O4

>  <MolWeight> (764)
272.29584

>  <Cat> (764)
S3940

>  <Name> (764)
3'-Hydroxypt

>  <Synonyms> (764)
3'-

>  <Target> (764)
Others

>  <Form> (764)
free base

>  <CAS> (764)
475231-21-1

>  <URL> (764)
htt

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/12302109272D

 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> (765)
770

>  <Formula> (765)
C18H22O4

>  <MolWeight> (765)
302.36488

>  <Cat> (765)
S3984

>  <Name> (765)
Nordihydrogu

>  <Synonyms> (765)
N/A

>  <Target> (765)
lipoxygenase

>  <Form> (765)
free base

>  <CAS> (765)
500-38-9

>  <URL> (765)
htt

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/12302109272D

 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> (766)
771

>  <Formula> (766)
C6H13NO4

>  <MolWeight> (766)
163.17172

>  <Cat> (766)
S3839

>  <Name> (766)
1-Deoxynojir

>  <Synonyms> (766)
duv

>  <Target> (766)
¦Á-glucosidase

>  <Form> (766)
free base

>  <CAS> (766)
19130-96-2

>  <URL> (766)
htt

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/12302109272D

 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> (767)
772

>  <Formula> (767)
C13H13ClN2O

>  <MolWeight> (767)
248.70812

>  <Cat> (767)
S3817

>  <Name> (767)
Harmine hydr

>  <Synonyms> (767)
tel

>  <Target> (767)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (767)
hydrochlo

>  <CAS> (767)
343-27-1

>  <URL> (767)
htt

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/12302109272D

 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
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773

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>  <MolWeight> (768)
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>  <Synonyms> (768)
N/A

>  <Target> (768)
PKC

>  <Form> (768)
free base

>  <CAS> (768)
130848-06-5

>  <URL> (768)
htt

$$$$
S3824 Quercitrin.cdx
csChFnd80/12302109272D

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774

>  <Formula> (769)
C21H20O11

>  <MolWeight> (769)
448.3769

>  <Cat> (769)
S3824

>  <Name> (769)
Quercitrin

>  <Synonyms> (769)
3-r

>  <Target> (769)
Others

>  <Form> (769)
free base

>  <CAS> (769)
522-12-3

>  <URL> (769)
htt

$$$$
S3836 6-Gingerol.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (770)
775

>  <Formula> (770)
C17H26O4

>  <MolWeight> (770)
294.38594

>  <Cat> (770)
S3836

>  <Name> (770)
6-Gingerol

>  <Synonyms> (770)
CI-

>  <Target> (770)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (770)
free base

>  <CAS> (770)
23513-14-6

>  <URL> (770)
htt

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/12302109272D

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>  <Mol_ID> (771)
776

>  <Formula> (771)
C19H17NaO6S

>  <MolWeight> (771)
396.38945

>  <Cat> (771)
S3766

>  <Name> (771)
Tanshinone I

>  <Synonyms> (771)
N/A

>  <Target> (771)
CYP3A4

>  <Form> (771)
sodium sa

>  <CAS> (771)
69659-80-9

>  <URL> (771)
htt

$$$$
S3759 Norcantharidin.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (772)
777

>  <Formula> (772)
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>  <MolWeight> (772)
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>  <Cat> (772)
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>  <Name> (772)
Norcantharid

>  <Synonyms> (772)
End

>  <Target> (772)
c-Met,EGFR

>  <Form> (772)
free base

>  <CAS> (772)
29745-04-8

>  <URL> (772)
htt

$$$$
S3783 Echinacoside.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (773)
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>  <Formula> (773)
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>  <MolWeight> (773)
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>  <Name> (773)
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>  <Synonyms> (773)
N/A

>  <Target> (773)
Others

>  <Form> (773)
free base

>  <CAS> (773)
82854-37-3

>  <URL> (773)
htt

$$$$
S3784 Obacunone.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (774)
779

>  <Formula> (774)
C26H30O7

>  <MolWeight> (774)
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>  <Cat> (774)
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>  <Name> (774)
Obacunone

>  <Synonyms> (774)
N/A

>  <Target> (774)
Nrf2,Aromatase

>  <Form> (774)
free base

>  <CAS> (774)
751-03-1

>  <URL> (774)
htt

$$$$
S3786 Glabridin.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (775)
780

>  <Formula> (775)
C20H20O4

>  <MolWeight> (775)
324.3704

>  <Cat> (775)
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>  <Name> (775)
Glabridin

>  <Synonyms> (775)
Q-1

>  <Target> (775)
PPAR¦Ã,¦Á1¦Â2¦Ã2,¦Á1¦Â3¦Ã2,¦Á1¦Â2,¦Á1¦Â1¦Ã2

>  <Form> (775)
free base

>  <CAS> (775)
59870-68-7

>  <URL> (775)
htt

$$$$
S3787 Picroside I.cdx
csChFnd80/12302109272D

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htt

$$$$
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>  <MolWeight> (777)
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>  <Synonyms> (777)
api

>  <Target> (777)
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free base

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>  <URL> (777)
htt

$$$$
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csChFnd80/12302109272D

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>  <Synonyms> (778)
 Pa

>  <Target> (778)
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free base

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52286-59-6

>  <URL> (778)
htt

$$$$
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csChFnd80/12302109272D

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>  <Cat> (779)
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free base

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92-61-5

>  <URL> (779)
htt

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free base

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84687-43-4

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htt

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15291-76-6

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htt

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csChFnd80/12302109272D

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htt

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487-41-2

>  <URL> (783)
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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htt

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810

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free base

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41753-43-9

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htt

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S3868 Harmine.cdx
csChFnd80/12302109272D

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811

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C13H12N2O

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tel

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free base

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442-51-3

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htt

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S3980 Pyridoxine.cdx
csChFnd80/12302109272D

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65-23-6

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htt

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csChFnd80/12302109272D

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813

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166.21696

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S4990

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TBHQ

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Ter

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Nrf2

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free base

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1948-33-0

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htt

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csChFnd80/12302109272D

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free base

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125-46-2

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htt

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28649-59-4

>  <URL> (810)
htt

$$$$
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csChFnd80/12302109272D

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816

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free base

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htt

$$$$
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csChFnd80/12302109272D

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817

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(E)

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1637-39-4

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htt

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csChFnd80/12302109272D

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htt

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San

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Others

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free base

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80418-24-2

>  <URL> (814)
htt

$$$$
GW 5074.cdx
csChFnd80/12302109272D

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820

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Raf

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free base

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220904-83-6

>  <URL> (815)
htt

$$$$
Methyl-Hesperidin.cdx
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>  <Mol_ID> (816)
821

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624.58714

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S2323

>  <Name> (816)
Methyl-Hespe

>  <Form> (816)
free base

>  <CAS> (816)
 11013-97-1

$$$$
SNS-314 Mesylate.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (817)
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>  <Formula> (817)
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>  <Synonyms> (817)
N/A

>  <Target> (817)
Aurora Kinase

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>  <CAS> (817)
1146618-41-8

>  <URL> (817)
htt

$$$$
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csChFnd80/12302109272D

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>  <Formula> (818)
C21H18O12

>  <MolWeight> (818)
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>  <Cat> (818)
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>  <Name> (818)
Scutellarin

>  <Synonyms> (818)
Bre

>  <Target> (818)
Others

>  <Form> (818)
free base

>  <CAS> (818)
27740-01-8

>  <URL> (818)
htt

$$$$
untitled.cdx
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>  <Mol_ID> (819)
824

>  <Formula> (819)
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>  <MolWeight> (819)
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>  <Cat> (819)
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>  <Name> (819)
CI-1033 (Can

>  <Synonyms> (819)
PD-

>  <Target> (819)
EGFR, HER2

>  <Form> (819)
Free Base

>  <CAS> (819)
267243-28-7

>  <URL> (819)
htt

$$$$
untitled.cdx
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>  <Mol_ID> (820)
825

>  <Formula> (820)
C31H42N6O4

>  <MolWeight> (820)
562.70298

>  <Cat> (820)
S1043

>  <Name> (820)
Tandutinib (

>  <Synonyms> (820)
CT5

>  <Target> (820)
Flt

>  <Form> (820)
Free Base

>  <CAS> (820)
387867-13-2

>  <URL> (820)
htt

$$$$
untitled.cdx
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csChFnd80/12302109272D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6458    9.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    7.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    7.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791    7.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791    9.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    9.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4152    7.3683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2409    8.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4152    9.6414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6409    8.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8478    6.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8579    5.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5056    5.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5156    4.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8780    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2303    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2202    3.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5926    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2403    0.9899    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9449    1.7146    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9549    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    7.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624   11.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   12.0097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748   12.0097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    7.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    5.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 23  1  0  0  0  0
M  END
>  <Mol_ID> (827)
832

>  <Formula> (827)
C22H22F3N3O3

>  <MolWeight> (827)
433.4235896

>  <Cat> (827)
S8002

>  <Name> (827)
GSK2636771

>  <Synonyms> (827)
N/A

>  <Target> (827)
PI3K

>  <Form> (827)
Free Base

>  <CAS> (827)
1372540-25-4

>  <URL> (827)
htt

$$$$
PQ 401.cdx
csChFnd80/12302109272D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0588    4.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    6.2880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    4.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    0.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2154    2.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    4.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    6.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    8.3880    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  9 14  1  0  0  0  0
  6 15  1  0  0  0  0
  4  8  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (828)
833

>  <Formula> (828)
C18H16ClN3O2

>  <MolWeight> (828)
341.79154

>  <Cat> (828)
S8003

>  <Name> (828)
PQ 401

>  <Synonyms> (828)
N/A

>  <Target> (828)
IGF-1R

>  <Form> (828)
Free Base

>  <CAS> (828)
196868-63-0

>  <URL> (828)
htt

$$$$
AG 18.cdx
csChFnd80/12302109272D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  3  0  0  0  0
  9 13  3  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (829)
834

>  <Formula> (829)
C10H6N2O2

>  <MolWeight> (829)
186.16684

>  <Cat> (829)
S8009

>  <Name> (829)
AG 18 (Tyrph

>  <Synonyms> (829)
RG-

>  <Target> (829)
EGFR

>  <Form> (829)
Free Base

>  <CAS> (829)
118409-57-7

>  <URL> (829)
htt

$$$$

csChFnd80/12302109272D

 37 40  0  0  0  0  0  0  0  0999 V2000
    8.2594    6.0622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8594    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1594    7.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1594    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    5.5497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365    5.9824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7594    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365    3.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    4.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555    1.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3097    4.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.1244    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881    2.7702    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7784    0.8147    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9594    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3594    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0594    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2594    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4594    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5594    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1594    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4594    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2594    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6594    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6594    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2594    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7594    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4594    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3594    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7594    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
  9 11  1  0  0  0  0
  4  7  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 24 33  2  0  0  0  0
 28 33  1  0  0  0  0
 23 27  1  0  0  0  0
 34 35  1  0  0  0  0
 31 34  1  0  0  0  0
 36 37  1  0  0  0  0
 30 36  1  0  0  0  0
 19 23  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
>  <Mol_ID> (830)
835

>  <Formula> (830)
C24H22F3N5O5

>  <MolWeight> (830)
517.4571896

>  <Cat> (830)
S8015

>  <Name> (830)
CEP-32496

>  <Synonyms> (830)
N/A

>  <Target> (830)
Raf

>  <Form> (830)
Free Base

>  <CAS> (830)
1188910-76-0

>  <URL> (830)
htt

$$$$
GW 9508.cdx
csChFnd80/12302109272D

 26 28  0  0  0  0  0  0  0  0999 V2000
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   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
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  1  1  0  0  0  0
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 13  4  1  0  0  0  0
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 20  5  1  0  0  0  0
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 15  6  2  0  0  0  0
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htt

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htt

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htt

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csChFnd80/12302109272D

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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

>  <CAS> (846)
1022150-57-7

>  <URL> (846)
htt

$$$$
untitled.cdx
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852

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C21H16N6O2S2

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448.52074

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S1118

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XL147 analog

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SAR

>  <Target> (847)
PI3K 

>  <Form> (847)
Free Base

>  <CAS> (847)
956958-53-5

>  <URL> (847)
htt

$$$$
s1023.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (848)
853

>  <Formula> (848)
C22H24ClN3O4

>  <MolWeight> (848)
429.89666

>  <Cat> (848)
S1023

>  <Name> (848)
Erlotinib(OS

>  <Synonyms> (848)
(CP

>  <Target> (848)
EGFR

>  <Form> (848)
Hydrochlo

>  <CAS> (848)
183319-69-9

>  <URL> (848)
htt

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (849)
854

>  <Formula> (849)
C16H15BrClN5O4S

>  <MolWeight> (849)
488.7434

>  <Cat> (849)
S1205

>  <Name> (849)
PIK-75 

>  <Synonyms> (849)
N/A

>  <Target> (849)
PI3K, DNA-PK

>  <Form> (849)
Hydrochlo

>  <CAS> (849)
372196-77-5

>  <URL> (849)
htt

$$$$
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csChFnd80/12302109272D

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M  END
>  <Mol_ID> (850)
855

>  <Formula> (850)
C25H52NO4P

>  <MolWeight> (850)
461.658441

>  <Cat> (850)
S1037

>  <Name> (850)
Perifosine (

>  <Synonyms> (850)
NSC

>  <Target> (850)
Akt

>  <Form> (850)
Free Base

>  <CAS> (850)
157716-52-4

>  <URL> (850)
htt

$$$$
Ellagic acid.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (851)
856

>  <Formula> (851)
C14H6O8

>  <MolWeight> (851)
302.19264

>  <Cat> (851)
S1327

>  <Name> (851)
Ellagic acid

>  <Synonyms> (851)
N/A

>  <Target> (851)
Topoisomerases

>  <Form> (851)
Free Base

>  <CAS> (851)
476-66-4

>  <URL> (851)
htt

$$$$
bms-707035.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (852)
857

>  <Formula> (852)
C18H11N3O2S

>  <MolWeight> (852)
333.36384

>  <Cat> (852)
S1360

>  <Name> (852)
GSK1059615

>  <Synonyms> (852)
N/A

>  <Target> (852)
PI3K, mTOR

>  <Form> (852)
Free Base

>  <CAS> (852)
958852-01-2

>  <URL> (852)
htt

$$$$
LY2228820.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (853)
858

>  <Formula> (853)
C26H37FN6O6S2

>  <MolWeight> (853)
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>  <Cat> (853)
S1494

>  <Name> (853)
LY2228820

>  <Synonyms> (853)
N/A

>  <Target> (853)
p38 MAPK

>  <Form> (853)
Dimesylat

>  <CAS> (853)
862507-23-1

>  <URL> (853)
htt

$$$$
CCT129202.cdx
csChFnd80/12302109272D

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>  <Formula> (854)
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>  <Synonyms> (854)
N/A

>  <Target> (854)
Aurora Kinase

>  <Form> (854)
Free Base

>  <CAS> (854)
942947-93-5

>  <URL> (854)
htt

$$$$
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>  <Mol_ID> (855)
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>  <Formula> (855)
C30H29ClN6O3

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>  <Cat> (855)
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>  <Name> (855)
Neratinib (H

>  <Synonyms> (855)
N/A

>  <Target> (855)
HER2, EGFR

>  <Form> (855)
Free Base

>  <CAS> (855)
698387-09-6

>  <URL> (855)
htt

$$$$
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861

>  <Formula> (856)
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>  <Name> (856)
R935788 (Fos

>  <Synonyms> (856)
N/A

>  <Target> (856)
Syk

>  <Form> (856)
Sodium Sa

>  <CAS> (856)
1025687-58-4

>  <URL> (856)
htt

$$$$
untitled.cdx
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>  <Mol_ID> (857)
862

>  <Formula> (857)
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>  <Cat> (857)
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>  <Name> (857)
VX-702

>  <Synonyms> (857)
N/A

>  <Target> (857)
p38 MAPK 

>  <Form> (857)
Free Base

>  <CAS> (857)
745833-23-2

>  <URL> (857)
htt

$$$$
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863

>  <Formula> (858)
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>  <Name> (858)
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N/A

>  <Target> (858)
mTOR, PI3K

>  <Form> (858)
Free Base

>  <CAS> (858)
1197160-78-3

>  <URL> (858)
htt

$$$$
Amiloride hydrochloride dihydrate.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (859)
864

>  <Formula> (859)
C6H13Cl2N7O3

>  <MolWeight> (859)
302.11852

>  <Cat> (859)
S2560

>  <Name> (859)
Amiloride hy

>  <Synonyms> (859)
MK-

>  <Target> (859)
Sodium Channel

>  <Form> (859)
hydrochlo

>  <CAS> (859)
17440-83-4

>  <URL> (859)
htt

$$$$
NU-7441(KU-57788).cdx
csChFnd80/12302109272D

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>  <Mol_ID> (860)
865

>  <Formula> (860)
C25H19NO3S

>  <MolWeight> (860)
413.48826

>  <Cat> (860)
S2638

>  <Name> (860)
NU7441(KU-57

>  <Synonyms> (860)
N/A

>  <Target> (860)
DNA-PK, PI3K

>  <Form> (860)
Free Base

>  <CAS> (860)
503468-95-9 

>  <URL> (860)
htt

$$$$
SCH 900776.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (861)
866

>  <Formula> (861)
C15H18BrN7

>  <MolWeight> (861)
376.25432

>  <Cat> (861)
S2735

>  <Name> (861)
MK-8776 (SCH

>  <Synonyms> (861)
N/A

>  <Target> (861)
CHK

>  <Form> (861)
Free Base

>  <CAS> (861)
891494-63-6

>  <URL> (861)
htt

$$$$
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csChFnd80/12302109272D

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htt

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Aurora Kinase

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Free Base

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1095382-05-0

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htt

$$$$
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Free Base

>  <CAS> (864)
418805-02-4

>  <URL> (864)
htt

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>  <CAS> (865)
305834-79-1

>  <URL> (865)
htt

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htt

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htt

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sodium sa

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htt

$$$$
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htt

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>  <URL> (877)
htt

$$$$
FLLL32.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (878)
883

>  <Formula> (878)
C28H32O6

>  <MolWeight> (878)
464.55008

>  <Cat> (878)
S7259

>  <Name> (878)
FLLL32

>  <Synonyms> (878)
N/A

>  <Target> (878)
JAK

>  <Form> (878)
Free Base

>  <CAS> (878)
1226895-15-3

>  <URL> (878)
htt

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (879)
884

>  <Formula> (879)
C5H6Na2O5

>  <MolWeight> (879)
192.07768

>  <Cat> (879)
S7873

>  <Name> (879)
Disodium (R)

>  <Synonyms> (879)
N/A

>  <Target> (879)
Others

>  <Form> (879)
disodium 

>  <CAS> (879)
103404-90-6

>  <URL> (879)
htt

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (880)
885

>  <Formula> (880)
C26H44NNaO6S

>  <MolWeight> (880)
521.68543

>  <Cat> (880)
S7896

>  <Name> (880)
Sodium Tauro

>  <Synonyms> (880)
N/A

>  <Target> (880)
Antifection

>  <Form> (880)
sodium sa

>  <CAS> (880)
35807-85-3

>  <URL> (880)
htt

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (881)
886

>  <Formula> (881)
C24H28N8O2

>  <MolWeight> (881)
460.53152

>  <Cat> (881)
S7103

>  <Name> (881)
GDC-0032

>  <Synonyms> (881)
RG7

>  <Target> (881)
PI3K

>  <Form> (881)
Free Base

>  <CAS> (881)
1282512-48-4

>  <URL> (881)
htt

$$$$
ONO-4059.cdx
csChFnd80/12302109272D

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htt

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htt

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htt

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htt

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csChFnd80/12302109272D

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free base

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10309-37-2

>  <URL> (900)
htt

$$$$
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AZD1080

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N/A

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GSK-3

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Free Base

>  <CAS> (901)
612487-72-6

>  <URL> (901)
htt

$$$$
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csChFnd80/12302109272D

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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> (902)
htt

$$$$
MEK162 (ARRY-438162).cdx
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>  <Target> (903)
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606143-89-9

>  <URL> (903)
htt

$$$$
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>  <URL> (904)
htt

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htt

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/12302109272D

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htt

$$$$
RepSox (E-616452, SJN 2511).cdx
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E-6

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446859-33-2

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htt

$$$$
AZD2858.cdx
csChFnd80/12302109272D

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>  <URL> (908)
htt

$$$$
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csChFnd80/12302109272D

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1021868-92-7

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htt

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csChFnd80/12302109272D

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M  END
>  <Mol_ID> (910)
915

>  <Formula> (910)
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>  <MolWeight> (910)
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>  <Cat> (910)
S7207

>  <Name> (910)
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>  <Synonyms> (910)
Bis

>  <Target> (910)
PKC

>  <Form> (910)
Mesylate

>  <CAS> (910)
138489-18-6

>  <URL> (910)
htt

$$$$
Bardoxolone Methyl.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (911)
916

>  <Formula> (911)
C32H43NO4

>  <MolWeight> (911)
505.68812

>  <Cat> (911)
S8078

>  <Name> (911)
Bardoxolone 

>  <Synonyms> (911)
RTA

>  <Target> (911)
I¦ÊB/IKK

>  <Form> (911)
Free Base

>  <CAS> (911)
218600-53-4

>  <URL> (911)
htt

$$$$
CZC24832.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (912)
917

>  <Formula> (912)
C15H17FN6O2S

>  <MolWeight> (912)
364.3978832

>  <Cat> (912)
S7018

>  <Name> (912)
CZC24832

>  <Synonyms> (912)
N/A

>  <Target> (912)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (912)
Free Base

>  <CAS> (912)
1159824-67-5

>  <URL> (912)
htt

$$$$
SRPIN340.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (913)
918

>  <Formula> (913)
C18H18F3N3O

>  <MolWeight> (913)
349.3502296

>  <Cat> (913)
S7270

>  <Name> (913)
SRPIN340

>  <Synonyms> (913)
N/A

>  <Target> (913)
Others

>  <Form> (913)
Free Base

>  <CAS> (913)
218156-96-8

>  <URL> (913)
htt

$$$$
ETP-46464.cdx
csChFnd80/12302109272D

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htt

$$$$
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htt

$$$$
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htt

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htt

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CC-

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BTK

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htt

$$$$
AZ191.cdx
csChFnd80/12302109272D

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DYRK

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Free Base

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htt

$$$$
Pacritinib (SB1518).cdx
csChFnd80/12302109272D

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htt

$$$$
Sorafenib.cdx
csChFnd80/12302109272D

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284461-73-0

>  <URL> (929)
htt

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PF-562271.cdx
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htt

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htt

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phosphatase

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Free Base

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1164470-53-4

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htt

$$$$
LDN193189 HCl.cdx
csChFnd80/12302109272D

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TGF-beta/Smad

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1062368-62-0

>  <URL> (948)
htt

$$$$
LM-3053 SKLB1002.cdx
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N/A

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VEGFR

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1225451-84-2

>  <URL> (949)
htt

$$$$
1-Azakenpaullone.cdx
csChFnd80/12302109272D

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676596-65-9

>  <URL> (950)
htt

$$$$
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csChFnd80/12302109272D

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htt

$$$$
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Rho

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Free Base

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No

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htt

$$$$
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htt

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>  <URL> (959)
htt

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htt

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M  END
>  <Mol_ID> (969)
974

>  <Formula> (969)
C25H33N7O2

>  <MolWeight> (969)
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UNC2881

>  <Synonyms> (969)
N/A

>  <Target> (969)
TAM Receptor

>  <Form> (969)
Free Base

>  <CAS> (969)
1493764-08-1

>  <URL> (969)
htt

$$$$
PF-543 .cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (970)
975

>  <Formula> (970)
C27H31NO4S

>  <MolWeight> (970)
465.60434

>  <Cat> (970)
S7177

>  <Name> (970)
PF-543

>  <Synonyms> (970)
N/A

>  <Target> (970)
S1P Receptor

>  <Form> (970)
Free Base

>  <CAS> (970)
1415562-82-1

>  <URL> (970)
htt

$$$$
AZD1208.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (971)
976

>  <Formula> (971)
C21H21N3O2S

>  <MolWeight> (971)
379.47534

>  <Cat> (971)
S7104

>  <Name> (971)
AZD1208

>  <Synonyms> (971)
N/A

>  <Target> (971)
Pim

>  <Form> (971)
Free Base

>  <CAS> (971)
1204144-28-4

>  <URL> (971)
htt

$$$$
CX-6258 HCl .cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (972)
977

>  <Formula> (972)
C26H25Cl2N3O3

>  <MolWeight> (972)
498.401

>  <Cat> (972)
S7041

>  <Name> (972)
CX-6258 HCl

>  <Synonyms> (972)
N/A

>  <Target> (972)
Pim

>  <Form> (972)
Hydrochlo

>  <CAS> (972)
1353859-00-3

>  <URL> (972)
htt

$$$$
EHT 1864.cdx
csChFnd80/12302109272D

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htt

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htt

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1073485-20-7

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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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htt

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htt

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htt

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1440898-61-2

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htt

$$$$
6H05.cdx
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>  <CAS> (993)
No

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htt

$$$$
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csChFnd80/12302109272D

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>  <CAS> (994)
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>  <URL> (994)
htt

$$$$
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    3.5980    2.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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 15 19  1  0  0  0  0
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 25 20  1  0  0  0  0
 25 26  1  1  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 27  1  0  0  0  0
M  END
>  <Mol_ID> (995)
1000

>  <Formula> (995)
C17H20ClF4N7O

>  <MolWeight> (995)
449.8336128

>  <Cat> (995)
S7368

>  <Name> (995)
GNE-9605

>  <Synonyms> (995)
N/A

>  <Target> (995)
LRRK2

>  <Form> (995)
Free Base

>  <CAS> (995)
1536200-31-3

>  <URL> (995)
htt

$$$$
filgotinib.cdx
csChFnd80/12302109272D

 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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    1.2124    7.0000    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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    6.0622   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  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
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  8  9  1  0  0  0  0
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 12  7  1  0  0  0  0
  4 13  2  0  0  0  0
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 15  5  1  0  0  0  0
 14 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
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 21 18  1  0  0  0  0
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 28 23  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (996)
1001

>  <Formula> (996)
C21H23N5O3S

>  <MolWeight> (996)
425.50402

>  <Cat> (996)
S7605

>  <Name> (996)
Filgotinib£¨

>  <Synonyms> (996)
N/A

>  <Target> (996)
JAK

>  <Form> (996)
Free Base

>  <CAS> (996)
1206161-97-8

>  <URL> (996)
htt

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/12302109272D

 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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    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
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 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> (997)
1002

>  <Formula> (997)
C15H17ClIN3O3

>  <MolWeight> (997)
449.67125

>  <Cat> (997)
S7331

>  <Name> (997)
K-Ras(G12C) 

>  <Synonyms> (997)
N/A

>  <Target> (997)
Rho

>  <Form> (997)
Free Base

>  <CAS> (997)
1469337-95-8

>  <URL> (997)
htt

$$$$
Anacardic Acid.cdx
csChFnd80/12302109272D

 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
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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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    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (998)
1003

>  <Formula> (998)
C22H36O3

>  <MolWeight> (998)
348.51944

>  <Cat> (998)
S7582

>  <Name> (998)
Anacardic Ac

>  <Synonyms> (998)
6-p

>  <Target> (998)
Histone Acetyltransferase

>  <Form> (998)
Free Base

>  <CAS> (998)
16611-84-0

>  <URL> (998)
htt

$$$$
GNF5837.cdx
csChFnd80/12302109272D

 39 43  0  0  0  0  0  0  0  0999 V2000
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htt

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/12302109272D

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1052532-15-6

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htt

$$$$
Bikinin.cdx
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$$$$
Salirasib.cdx
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162520-00-5

>  <URL> (1,032)
htt

$$$$
SD208.cdx
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htt

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htt

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LDN-214117.cdx
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htt

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Purvalanol A.cdx
csChFnd80/12302109272D

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htt

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AZD2932.cdx
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htt

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>  <CAS> (1,065)
301836-43-1

>  <URL> (1,065)
htt

$$$$
XL147.cdx
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>  <Synonyms> (1,066)
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Free Base

>  <CAS> (1,066)
934526-89-3

>  <URL> (1,066)
htt

$$$$
AT7519 HCl.cdx
csChFnd80/12302109272D

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AT7519 HCl

>  <Synonyms> (1,067)
N/A

>  <Target> (1,067)
CDK

>  <Form> (1,067)
Hydrochlo

>  <CAS> (1,067)
902135-91-5

>  <URL> (1,067)
htt

$$$$
ARRY-614.cdx
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>  <Mol_ID> (1,068)
1073

>  <Formula> (1,068)
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>  <MolWeight> (1,068)
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>  <Cat> (1,068)
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>  <Name> (1,068)
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>  <Synonyms> (1,068)
N/A

>  <Target> (1,068)
p38 MAPK

>  <Form> (1,068)
Free Base

>  <CAS> (1,068)
945614-12-0

>  <URL> (1,068)
htt

$$$$
LY3009120.cdx
csChFnd80/12302109272D

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htt

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926037-48-1

>  <URL> (1,089)
htt

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/12302109272D

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ROCK

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887375-67-9

>  <URL> (1,090)
htt

$$$$
K03861.cdx
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853299-07-7

>  <URL> (1,091)
htt

$$$$
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csChFnd80/12302109272D

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>  <Formula> (1,092)
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Free Base

>  <CAS> (1,092)
839706-07-9

>  <URL> (1,092)
htt

$$$$
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csChFnd80/12302109272D

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M  END
>  <Mol_ID> (1,114)
1119

>  <Formula> (1,114)
C42H88N14O36S3

>  <MolWeight> (1,114)
1461.41532

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S4523

>  <Name> (1,114)
Dihydrostrep

>  <Synonyms> (1,114)
N/A

>  <Target> (1,114)
Antifection

>  <Form> (1,114)
1.5Sulfat

>  <CAS> (1,114)
5490-27-7

>  <URL> (1,114)
htt

$$$$
MRT68921.cdx
csChFnd80/12302109272D

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A   35
xHCl
M  END
>  <Mol_ID> (1,115)
1120

>  <Formula> (1,115)
C26H36N6O2R

>  <MolWeight> (1,115)
464.60304

>  <Cat> (1,115)
S7948

>  <Name> (1,115)
MRT67307 HCl

>  <Synonyms> (1,115)
N/A

>  <Target> (1,115)
I¦ÊB/IKK

>  <Form> (1,115)
hydrochlo

>  <CAS> (1,115)
1190378-57-4

>  <URL> (1,115)
htt

$$$$
MRT67307.cdx
csChFnd80/12302109272D

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XHCl
M  END
>  <Mol_ID> (1,116)
1121

>  <Formula> (1,116)
C25H34N6OR

>  <MolWeight> (1,116)
434.57706

>  <Cat> (1,116)
S7949

>  <Name> (1,116)
MRT68921 HCl

>  <Synonyms> (1,116)
N/A

>  <Target> (1,116)
Autophagy

>  <Form> (1,116)
hydrochlo

>  <CAS> (1,116)
1190379-70-4

>  <URL> (1,116)
htt

$$$$
BI-78D3.cdx
csChFnd80/12302109272D

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c-Met

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1173699-31-4

>  <URL> (1,121)
htt

$$$$
NQDI-1.cdx
csChFnd80/12302109272D

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M  END
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1127

>  <Formula> (1,122)
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>  <MolWeight> (1,122)
319.31082

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>  <Name> (1,122)
NQDI-1

>  <Synonyms> (1,122)
N/A

>  <Target> (1,122)
Caspase

>  <Form> (1,122)
Free Base

>  <CAS> (1,122)
175026-96-7

>  <URL> (1,122)
htt

$$$$
Kobe0065.cdx
csChFnd80/12302109272D

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1128

>  <Formula> (1,123)
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>  <MolWeight> (1,123)
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Kobe0065

>  <Synonyms> (1,123)
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>  <Target> (1,123)
Rho

>  <Form> (1,123)
Free Base

>  <CAS> (1,123)
436133-68-5

>  <URL> (1,123)
htt

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (1,124)
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>  <MolWeight> (1,124)
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>  <Cat> (1,124)
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>  <Name> (1,124)
Olmutinib (H

>  <Synonyms> (1,124)
BI 

>  <Target> (1,124)
EGFR

>  <Form> (1,124)
Free Base

>  <CAS> (1,124)
1353550-13-6

>  <URL> (1,124)
htt

$$$$
5-Iodotubercidin.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (1,125)
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>  <Formula> (1,125)
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>  <Synonyms> (1,125)
NSC

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Adenosine Receptor

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Free Base

>  <CAS> (1,125)
24386-93-4

>  <URL> (1,125)
htt

$$$$
S4690 Vitamin E.cdx
csChFnd80/12302109272D

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21590

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htt

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S4671 Cefradine.cdx
csChFnd80/12302109272D

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Cep

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Antifection

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Free Base

>  <CAS> (1,127)
38821-53-3

>  <URL> (1,127)
htt

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/12302109272D

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7,8

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38183-03-8

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htt

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MLR-1023.cdx
csChFnd80/12302109272D

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41964-07-2

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htt

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LY3023414.cdx
csChFnd80/12302109272D

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Free Base

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1386874-06-1

>  <URL> (1,130)
htt

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Selonsertib (GS-4997).cdx
csChFnd80/12302109272D

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>  <Synonyms> (1,131)
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Caspase

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Free Base

>  <CAS> (1,131)
1448428-04-3

>  <URL> (1,131)
htt

$$$$
LY333531.cdx
csChFnd80/12302109272D

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>  <Name> (1,132)
LY333531 HCl

>  <Synonyms> (1,132)
Rub

>  <Target> (1,132)
PKC

>  <Form> (1,132)
hydrochlo

>  <CAS> (1,132)
169939-93-9

>  <URL> (1,132)
htt

$$$$
FRAX486.cdx
csChFnd80/12302109272D

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>  <Synonyms> (1,133)
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>  <CAS> (1,133)
1232030-35-1

>  <URL> (1,133)
htt

$$$$
VO-Ohpic.cdx
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htt

$$$$
XMD8-87.cdx
csChFnd80/12302109272D

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ACK

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1234480-46-6

>  <URL> (1,161)
htt

$$$$
JNJ-42756493 (Erdafitinib).cdx
csChFnd80/12302109272D

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1346242-81-6

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htt

$$$$
Y-39983 HCl.cdx
csChFnd80/12302109272D

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htt

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/12302109272D

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Free Base

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1254036-71-9

>  <URL> (1,168)
htt

$$$$
S4740 Ferulic acid (sodium).cdx
csChFnd80/12302109272D

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Fer

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Thrombin

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Sodium sa

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24276-84-4

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htt

$$$$
S49076.cdx
csChFnd80/12302109272D

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c-Met  & FGFR

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Free Base

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1265965-22-7

>  <URL> (1,170)
htt

$$$$
GSK583.cdx
csChFnd80/12302109272D

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>  <CAS> (1,171)
1346547-00-9

>  <URL> (1,171)
htt

$$$$
ARQ 092.cdx
csChFnd80/12302109272D

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htt

$$$$
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htt

$$$$
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htt

$$$$
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1184843-57-9

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htt

$$$$
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1849590-01-7

>  <URL> (1,177)
htt

$$$$
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Serine Protease

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hydrochlo

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256476-36-5

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htt

$$$$
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htt

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hydrochlo

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htt

$$$$
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csChFnd80/12302109272D

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htt

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M  END
>  <Mol_ID> (1,220)
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>  <Formula> (1,220)
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>  <MolWeight> (1,220)
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>  <Cat> (1,220)
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>  <Name> (1,220)
Serabelisib 

>  <Synonyms> (1,220)
N/A

>  <Target> (1,220)
PI3K¦Á 

>  <Form> (1,220)
Free base

>  <CAS> (1,220)
1268454-23-4

>  <URL> (1,220)
htt

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (1,221)
1226

>  <Formula> (1,221)
C2HCl2NaO2

>  <MolWeight> (1,221)
150.92391

>  <Cat> (1,221)
S8615

>  <Name> (1,221)
Sodium dichl

>  <Synonyms> (1,221)
bic

>  <Target> (1,221)
PDK

>  <Form> (1,221)
sodium sa

>  <CAS> (1,221)
2156-56-1

>  <URL> (1,221)
htt

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/12302109272D

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 31  9  1  1  0  0  0
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M  END
>  <Mol_ID> (1,222)
1227

>  <Formula> (1,222)
C33H44FN5O3

>  <MolWeight> (1,222)
577.7325632

>  <Cat> (1,222)
S8511

>  <Name> (1,222)
Belizatinib 

>  <Synonyms> (1,222)
N/A

>  <Target> (1,222)
ALK,TRK

>  <Form> (1,222)
free base

>  <CAS> (1,222)
1357920-84-3

>  <URL> (1,222)
htt

$$$$
Autophinib.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (1,223)
1228

>  <Formula> (1,223)
C14H11ClN6O3

>  <MolWeight> (1,223)
346.72854

>  <Cat> (1,223)
S8596

>  <Name> (1,223)
Autophinib

>  <Synonyms> (1,223)
N/A

>  <Target> (1,223)
autophagy

>  <Form> (1,223)
free base

>  <CAS> (1,223)
1644443-47-9

>  <URL> (1,223)
htt

$$$$
PRN1371.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (1,224)
1229

>  <Formula> (1,224)
C26H30Cl2N6O4

>  <MolWeight> (1,224)
561.4602

>  <Cat> (1,224)
S8578

>  <Name> (1,224)
PRN1371

>  <Synonyms> (1,224)
N/A

>  <Target> (1,224)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (1,224)
free base

>  <CAS> (1,224)
1802929-43-6

>  <URL> (1,224)
htt

$$$$

csChFnd80/12302109272D

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htt

$$$$
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516480-79-8

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htt

$$$$
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1951483-29-6

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htt

$$$$
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htt

$$$$
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$$$$
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$$$$
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htt

$$$$
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htt

$$$$
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>  <Target> (1,243)
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free base

>  <CAS> (1,243)
2292-16-2

>  <URL> (1,243)
htt

$$$$
Takinib.cdx
csChFnd80/12302109272D

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1111556-37-6

>  <URL> (1,244)
htt

$$$$
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csChFnd80/12302109272D

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>  <URL> (1,245)
htt

$$$$
IPI-3063.cdx
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p110¦Ä

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free base

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1425043-73-7

>  <URL> (1,246)
htt

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (1,247)
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Sod

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Others

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sodium sa

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66170-10-3

>  <URL> (1,247)
htt

$$$$
PF-06651600.cdx
csChFnd80/12302109272D

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1253

>  <Formula> (1,248)
C15H19N5O

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285.34426

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PF-06651600

>  <Synonyms> (1,248)
N/A

>  <Target> (1,248)
JAK3 

>  <Form> (1,248)
free base

>  <CAS> (1,248)
1792180-81-4

>  <URL> (1,248)
htt

$$$$
2-D08.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (1,249)
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>  <MolWeight> (1,249)
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2',

>  <Target> (1,249)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

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free base

>  <CAS> (1,249)
144707-18-6

>  <URL> (1,249)
htt

$$$$
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csChFnd80/12302109272D

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S5045 Nomilin.cdx
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free base

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1063-77-0

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htt

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/12302109272D

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S5084 Carbazochrome.cdx
csChFnd80/12302109272D

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htt

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S5093 Rafoxanide.cdx
csChFnd80/12302109272D

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csChFnd80/12302109272D

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free base

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1231889-53-4

>  <URL> (1,258)
htt

$$$$
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NAMPT,PAK

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free base

>  <CAS> (1,259)
1643913-93-2

>  <URL> (1,259)
htt

$$$$
Asciminib(ABL001).cdx
csChFnd80/12302109272D

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>  <Synonyms> (1,260)
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>  <Target> (1,260)
Bcr-Abl

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free base

>  <CAS> (1,260)
1492952-76-7

>  <URL> (1,260)
htt

$$$$
Tenalisib (RP6530).cdx
csChFnd80/12302109272D

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>  <URL> (1,261)
htt

$$$$
AS1517499.cdx
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htt

$$$$
RAF709.cdx
csChFnd80/12302109272D

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free base

>  <CAS> (1,263)
1628838-42-5

>  <URL> (1,263)
htt

$$$$
S5232 Alectinib hydrochloride.cdx
csChFnd80/12302109272D

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hydrochlo

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1256589-74-8

>  <URL> (1,264)
htt

$$$$
S5060 Metadoxine.cdx
csChFnd80/12302109272D

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>  <Formula> (1,265)
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>  <MolWeight> (1,265)
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>  <Cat> (1,265)
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>  <Name> (1,265)
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>  <Synonyms> (1,265)
Met

>  <Target> (1,265)
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>  <Form> (1,265)
salt

>  <CAS> (1,265)
74536-44-0

>  <URL> (1,265)
htt

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/12302109272D

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htt

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htt

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (1,272)
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>  <Formula> (1,272)
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>  <Name> (1,272)
Gefitinib hy

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ZD1

>  <Target> (1,272)
EGFR

>  <Form> (1,272)
hydrochlo

>  <CAS> (1,272)
184475-55-6

>  <URL> (1,272)
htt

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/12302109272D

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1278

>  <Formula> (1,273)
C23H26ClN

>  <MolWeight> (1,273)
351.91224

>  <Cat> (1,273)
S5279

>  <Name> (1,273)
Fendiline hy

>  <Synonyms> (1,273)
N/A

>  <Target> (1,273)
Calcium Channel,Ras

>  <Form> (1,273)
hydrochlo

>  <CAS> (1,273)
13636-18-5

>  <URL> (1,273)
htt

$$$$
GSK'963.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (1,274)
1279

>  <Formula> (1,274)
C14H18N2O

>  <MolWeight> (1,274)
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>  <Cat> (1,274)
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>  <Name> (1,274)
GSK'963

>  <Synonyms> (1,274)
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>  <Target> (1,274)
NF-¦ÊB,TNF-alpha

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free base

>  <CAS> (1,274)
2049868-46-2

>  <URL> (1,274)
htt

$$$$
bpV (HOpic).cdx
csChFnd80/12302109272D

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>  <Mol_ID> (1,275)
1280

>  <Formula> (1,275)
C6H4K2NO8V

>  <MolWeight> (1,275)
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>  <Cat> (1,275)
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>  <Name> (1,275)
bpV (HOpic)

>  <Synonyms> (1,275)
Bis

>  <Target> (1,275)
PTEN

>  <Form> (1,275)
potassium

>  <CAS> (1,275)
722494-26-0

>  <URL> (1,275)
htt

$$$$
Anlotinib (AL3818).cdx
csChFnd80/12302109272D

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>  <Mol_ID> (1,276)
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>  <Formula> (1,276)
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>  <Name> (1,276)
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>  <Synonyms> (1,276)
N/A

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M  END
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1286

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>  <Name> (1,281)
Dabrafenib M

>  <Synonyms> (1,281)
GSK

>  <Target> (1,281)
Raf

>  <Form> (1,281)
mesylate

>  <CAS> (1,281)
1195768-06-9

>  <URL> (1,281)
htt

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/12302109272D

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1287

>  <Formula> (1,282)
C33H39N5O7S

>  <MolWeight> (1,282)
649.75706

>  <Cat> (1,282)
S5234

>  <Name> (1,282)
Nintedanib E

>  <Synonyms> (1,282)
Int

>  <Target> (1,282)
VEGFR,FGFR,PDGFR

>  <Form> (1,282)
ethanesul

>  <CAS> (1,282)
656247-18-6

>  <URL> (1,282)
htt

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (1,283)
1288

>  <Formula> (1,283)
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>  <MolWeight> (1,283)
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>  <Cat> (1,283)
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>  <Name> (1,283)
Cediranib Ma

>  <Synonyms> (1,283)
AZD

>  <Target> (1,283)
VEGFR

>  <Form> (1,283)
maleate

>  <CAS> (1,283)
 857036-77-2

>  <URL> (1,283)
htt

$$$$
S5383 Erucic acid.cdx
csChFnd80/12302109272D

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    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,284)
1289

>  <Formula> (1,284)
C22H42O2

>  <MolWeight> (1,284)
338.56768

>  <Cat> (1,284)
S5383

>  <Name> (1,284)
Erucic acid

>  <Synonyms> (1,284)
cis

>  <Target> (1,284)
Others

>  <Form> (1,284)
free base

>  <CAS> (1,284)
112-86-7

>  <URL> (1,284)
htt

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/12302109272D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,285)
1290

>  <Formula> (1,285)
C3H3BrO3

>  <MolWeight> (1,285)
166.95812

>  <Cat> (1,285)
S5426

>  <Name> (1,285)
Bromopyruvic

>  <Synonyms> (1,285)
3-B

>  <Target> (1,285)
Others

>  <Form> (1,285)
free base

>  <CAS> (1,285)
1113-59-3

>  <URL> (1,285)
htt

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/12302109272D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6292    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9590    0.2576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677    2.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7862    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8093    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,286)
1291

>  <Formula> (1,286)
C8H6BrN

>  <MolWeight> (1,286)
196.04394

>  <Cat> (1,286)
S5439

>  <Name> (1,286)
5-Bromoindol

>  <Synonyms> (1,286)
N/A

>  <Target> (1,286)
GSK-3

>  <Form> (1,286)
free base

>  <CAS> (1,286)
10075-50-0

>  <URL> (1,286)
htt

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/12302109272D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.5219    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    2.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0861    1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737    2.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610    1.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    2.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    3.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    3.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5219    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2117    1.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378    4.2867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9022    1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,287)
1292

>  <Formula> (1,287)
C11H12O4

>  <MolWeight> (1,287)
208.21058

>  <Cat> (1,287)
S5451

>  <Name> (1,287)
Ferulic acid

>  <Synonyms> (1,287)
Met

>  <Target> (1,287)
Immunology & Inflammation related

>  <Form> (1,287)
free base

>  <CAS> (1,287)
149567

>  <URL> (1,287)
htt

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/12302109272D

 26 30  0  0  0  0  0  0  0  0999 V2000
    5.7157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    3.6373    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.8157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    4.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    3.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9852    1.5035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1315    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3547    5.2983    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 13  2  0  0  0  0
  8 15  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,288)
1293

>  <Formula> (1,288)
C20H14ClNO4

>  <MolWeight> (1,288)
367.78246

>  <Cat> (1,288)
S5452

>  <Name> (1,288)
Sanguinarine

>  <Synonyms> (1,288)
N/A

>  <Target> (1,288)
phosphatase

>  <Form> (1,288)
chloride 

>  <CAS> (1,288)
5578-73-4

>  <URL> (1,288)
htt

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/12302109272D

 60 67  0  0  0  0  0  0  0  0999 V2000
    1.2167    4.1933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2167    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4269    2.0966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    4.9015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8429    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2668    2.0888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4745    2.7842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4801    4.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2673    4.8862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0491    4.1881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6808    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1046    2.0888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1052    4.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8871    4.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3178    4.1841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3070    2.7913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5011    2.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7137    2.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5227    4.8751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   15.7523    6.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5316    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
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htt

$$$$
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free base

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20784-50-3

>  <URL> (1,290)
htt

$$$$
S5457 Curculigoside.cdx
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free base

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85643-19-2

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htt

$$$$
S5458 Verbascoside.cdx
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free base

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61276-17-3

>  <URL> (1,292)
htt

$$$$
S5464 Psoralidin.cdx
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M  END
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C20H16O5

>  <MolWeight> (1,293)
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>  <Name> (1,293)
Psoralidin

>  <Synonyms> (1,293)
N/A

>  <Target> (1,293)
Estrogen/progestogen Receptor

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free base

>  <CAS> (1,293)
18642-23-4

>  <URL> (1,293)
htt

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/12302109272D

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>  <MolWeight> (1,294)
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>  <Cat> (1,294)
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>  <Name> (1,294)
Kaempferol-3

>  <Synonyms> (1,294)
Kae

>  <Target> (1,294)
Others

>  <Form> (1,294)
salt

>  <CAS> (1,294)
40437-72-7

>  <URL> (1,294)
htt

$$$$
S5516 Ellagic Acid, Dihydrate.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (1,295)
1300

>  <Formula> (1,295)
C14H8O9

>  <MolWeight> (1,295)
320.20792

>  <Cat> (1,295)
S5516

>  <Name> (1,295)
Ellagic Acid

>  <Synonyms> (1,295)
N/A

>  <Target> (1,295)
Casein Kinase

>  <Form> (1,295)
monohydra

>  <CAS> (1,295)
 314041-08-2

>  <URL> (1,295)
htt

$$$$
S5529 Galangin.cdx
csChFnd80/12302109272D

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1301

>  <Formula> (1,296)
C15H10O5

>  <MolWeight> (1,296)
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>  <Cat> (1,296)
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>  <Name> (1,296)
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>  <Synonyms> (1,296)
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>  <Target> (1,296)
P450 (e.g. CYP17)

>  <Form> (1,296)
free base

>  <CAS> (1,296)
548-83-4

>  <URL> (1,296)
htt

$$$$
S5534 Cinchocaine.cdx
csChFnd80/12302109272D

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1302

>  <Formula> (1,297)
C20H29N3O2

>  <MolWeight> (1,297)
343.46316

>  <Cat> (1,297)
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>  <Name> (1,297)
Cinchocaine

>  <Synonyms> (1,297)
Dib

>  <Target> (1,297)
Others

>  <Form> (1,297)
free base

>  <CAS> (1,297)
85-79-0

>  <URL> (1,297)
htt

$$$$
S5545 DL-Serine.cdx
csChFnd80/12302109272D

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htt

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M  END
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>  <Synonyms> (1,302)
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>  <Target> (1,302)
Src,p38 MAPK

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free base

>  <CAS> (1,302)
903564-48-7

>  <URL> (1,302)
htt

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/12302109272D

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M  END
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>  <Name> (1,303)
Nilotinib hy

>  <Synonyms> (1,303)
AMN

>  <Target> (1,303)
Bcr-Abl

>  <Form> (1,303)
hydrochlo

>  <CAS> (1,303)
923288-95-3

>  <URL> (1,303)
htt

$$$$
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csChFnd80/12302109272D

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>  <Mol_ID> (1,304)
1309

>  <Formula> (1,304)
C22H23ClN4O7S

>  <MolWeight> (1,304)
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>  <Cat> (1,304)
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>  <Name> (1,304)
lenvatinib M

>  <Synonyms> (1,304)
N/A

>  <Target> (1,304)
VEGFR

>  <Form> (1,304)
Mesylate

>  <CAS> (1,304)
 857890-39-2

>  <URL> (1,304)
htt

$$$$
S5265 TBB.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (1,305)
1310

>  <Formula> (1,305)
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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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>  <Synonyms> (1,305)
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>  <Target> (1,305)
Casein Kinase

>  <CAS> (1,305)
17374-26-4

>  <URL> (1,305)
htt

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/12302109272D

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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,311)
1316

>  <Formula> (1,311)
C9H10O5

>  <MolWeight> (1,311)
198.1727

>  <Cat> (1,311)
S5550

>  <Name> (1,311)
Ethyl gallat

>  <Synonyms> (1,311)
N/A

>  <Target> (1,311)
NF-¦ÊB

>  <CAS> (1,311)
831-61-8

>  <URL> (1,311)
htt

$$$$
S9361 Coumarin-3-carboxylic acid.cdx
csChFnd80/12302109272D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4354    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4302    0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,312)
1317

>  <Formula> (1,312)
C10H6O4

>  <MolWeight> (1,312)
190.15224

>  <Cat> (1,312)
S9361

>  <Name> (1,312)
Coumarin-3-c

>  <Form> (1,312)
free base

>  <CAS> (1,312)
531-81-7

$$$$
S9366 5'-Adenylic acid.cdx
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.8569    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5248    2.4646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.9288    2.9024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6636    2.9057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
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  2  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 20  2  0  0  0  0
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 19 23  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,313)
1318

>  <Formula> (1,313)
C10H14N5O7P

>  <MolWeight> (1,313)
347.221221

>  <Cat> (1,313)
S9366

>  <Name> (1,313)
5'-Adenylic 

>  <Form> (1,313)
free base

>  <CAS> (1,313)
61-19-8

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/12302109272D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,314)
1319

>  <Formula> (1,314)
C8H8O3

>  <MolWeight> (1,314)
152.14732

>  <Cat> (1,314)
S9374

>  <Name> (1,314)
2',5'-Dihydr

>  <CAS> (1,314)
490-78-8

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4329    2.0759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6508    2.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2146    2.7692    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4329    0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8656    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    4.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    4.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4122    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  2 20  1  6  0  0  0
  3  7  1  0  0  0  0
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  8 14  1  0  0  0  0
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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,315)
1320

>  <Formula> (1,315)
C15H24N2O2

>  <MolWeight> (1,315)
264.36326

>  <Cat> (1,315)
S9384

>  <Name> (1,315)
Sophocarpine

>  <Form> (1,315)
free base

>  <CAS> (1,315)
 145572-44-7

$$$$
S9393 (4S)-4-Hydroxy-L-isoleucine.cdx
csChFnd80/12302109272D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,316)
1321

>  <Formula> (1,316)
C6H13NO3

>  <MolWeight> (1,316)
147.17232

>  <Cat> (1,316)
S9393

>  <Name> (1,316)
(4S)-4-Hydro

>  <Form> (1,316)
free base

>  <CAS> (1,316)
55399-93-4

$$$$
S9406 Sauchinone.cdx
csChFnd80/12302109272D

 29 34  0  0  0  0  0  0  0  0999 V2000
    8.3135    6.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4440    4.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 13  6  1  0  0  0  0
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  4 27  1  1  0  0  0
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  5 29  1  6  0  0  0
M  END
>  <Mol_ID> (1,317)
1322

>  <Formula> (1,317)
C20H20O6

>  <MolWeight> (1,317)
356.3692

>  <Cat> (1,317)
S9406

>  <Name> (1,317)
Sauchinone

>  <CAS> (1,317)
177931-17-8

$$$$
S9414 Cyasterone.cdx
csChFnd80/12302109272D

 40 44  0  0  0  0  0  0  0  0999 V2000
    7.3112    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1113    3.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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S9417 Homoplantaginin.cdx
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S9430 Tomatidine.cdx
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S9431 Dehydrocorydalin.cdx
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htt

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htt

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csChFnd80/12302109272D

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ALK

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hydrochlo

>  <CAS> (1,336)
864374-00-5

>  <URL> (1,336)
htt

$$$$

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Free Base

>  <CAS> (1,337)
2138861-99-9

>  <URL> (1,337)
htt

$$$$

csChFnd80/12302109272D

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N/A

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CDK

>  <Form> (1,338)
Free Base

>  <CAS> (1,338)
1414943-88-6

>  <URL> (1,338)
htt

$$$$

csChFnd80/12302109272D

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>  <Formula> (1,339)
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>  <Synonyms> (1,339)
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>  <Target> (1,339)
ATM/ATR

>  <Form> (1,339)
Free Base

>  <CAS> (1,339)
No CAS

>  <URL> (1,339)
htt

$$$$

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htt

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M  END
>  <Mol_ID> (1,348)
1353

>  <Formula> (1,348)
C36H62O8

>  <MolWeight> (1,348)
622.87268

>  <Cat> (1,348)
S9023

>  <Name> (1,348)
20S-Ginsenos

>  <Form> (1,348)
free base

>  <CAS> (1,348)
78214-33-2

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (1,349)
1354

>  <Formula> (1,349)
C38H46O8

>  <MolWeight> (1,349)
630.76704

>  <Cat> (1,349)
S9031

>  <Name> (1,349)
Gambogenic a

>  <Form> (1,349)
free base

>  <CAS> (1,349)
173932-75-7

$$$$
S9071 Nootkatone.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (1,350)
1355

>  <Formula> (1,350)
C15H22O

>  <MolWeight> (1,350)
218.33458

>  <Cat> (1,350)
S9071

>  <Name> (1,350)
Nootkatone

>  <Form> (1,350)
free base

>  <CAS> (1,350)
4674-50-4

$$$$
S9075 Mulberroside A.cdx
csChFnd80/12302109272D

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$$$$
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$$$$
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>  <CAS> (1,365)
478-61-5

$$$$
S9152 Epiberberine.cdx
csChFnd80/12302109272D

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>  <Cat> (1,366)
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free base

>  <CAS> (1,366)
1816598

$$$$
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486-21-5

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14259-46-2

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1818-71-9

$$$$

csChFnd80/12302109272D

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htt

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S9288 Casticin.cdx
csChFnd80/12302109272D

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EGFR

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136831-48-6

>  <URL> (1,388)
htt

$$$$
S9359 Anthraquinone-2-carboxylic Acid.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (1,389)
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Anthraquinon

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free base

>  <CAS> (1,389)
117-78-2

$$$$
S9376 Benzylacetone.cdx
csChFnd80/12302109272D

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free base

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2550-26-7

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/12302109272D

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>  <Mol_ID> (1,391)
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>  <Formula> (1,391)
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>  <MolWeight> (1,391)
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>  <Cat> (1,391)
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>  <Name> (1,391)
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>  <Synonyms> (1,391)
Tyk

>  <Target> (1,391)
Others

>  <Form> (1,391)
ditosylat

>  <CAS> (1,391)
388082-78-8

>  <URL> (1,391)
htt

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/12302109272D

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M  END
>  <Mol_ID> (1,396)
1401

>  <Formula> (1,396)
C29H37N7O5S

>  <MolWeight> (1,396)
595.71298

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S5078

>  <Name> (1,396)
Osimertinib 

>  <Synonyms> (1,396)
AZD

>  <Target> (1,396)
EGFR

>  <Form> (1,396)
mesylate

>  <CAS> (1,396)
1421373-66-1

>  <URL> (1,396)
htt

$$$$

csChFnd80/12302109272D

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 11  8  1  0  0  0  0
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>  <Mol_ID> (1,397)
1402

>  <Formula> (1,397)
C19H17N4NaO2S

>  <MolWeight> (1,397)
388.41865

>  <Cat> (1,397)
S5502

>  <Name> (1,397)
Ilaprazole s

>  <Synonyms> (1,397)
IY-

>  <Target> (1,397)
Proton Pump

>  <Form> (1,397)
Sodium Sa

>  <CAS> (1,397)
172152-50-0

>  <URL> (1,397)
htt

$$$$

csChFnd80/12302109272D

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M  END
>  <Mol_ID> (1,398)
1403

>  <Formula> (1,398)
C16H21Cl2N3

>  <MolWeight> (1,398)
326.26404

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S5670

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Chloropyrami

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Hal

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Histamine Receptor

>  <Form> (1,398)
hydrochlo

>  <CAS> (1,398)
6170-42-9

>  <URL> (1,398)
htt

$$$$

csChFnd80/12302109272D

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>  <Mol_ID> (1,399)
1404

>  <Formula> (1,399)
C16H20N7O6PS

>  <MolWeight> (1,399)
469.412061

>  <Cat> (1,399)
S5754

>  <Name> (1,399)
Baricitinib 

>  <Synonyms> (1,399)
INC

>  <Target> (1,399)
JAK

>  <Form> (1,399)
phosphate

>  <CAS> (1,399)
1187595-84-1

>  <URL> (1,399)
htt

$$$$

csChFnd80/12302109272D

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htt

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55033-90-4

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htt

$$$$

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htt

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24211-30-1

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htt

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htt

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N,N

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free base

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938-55-6

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htt

$$$$

csChFnd80/12302109272D

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Dih

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free base

>  <CAS> (1,414)
1078-61-1

>  <URL> (1,414)
htt

$$$$

csChFnd80/12302109272D

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N/A

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c-Met

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free base

>  <CAS> (1,415)
1116743-46-4

>  <URL> (1,415)
htt

$$$$

csChFnd80/12302109272D

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free base

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942507-42-8

>  <URL> (1,416)
htt

$$$$

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free base

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1622902-68-4

>  <URL> (1,417)
htt

$$$$

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$$$$

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1462249-75-7

>  <URL> (1,420)
htt

$$$$

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>  <URL> (1,421)
htt

$$$$

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Ani

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free base

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2437-29-8

>  <URL> (1,422)
htt

$$$$

csChFnd80/12302109272D

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>  <MolWeight> (1,423)
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>  <Cat> (1,423)
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>  <Synonyms> (1,423)
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>  <Target> (1,423)
PKC

>  <Form> (1,423)
Chloride

>  <CAS> (1,423)
3895-92-9

>  <URL> (1,423)
htt

$$$$

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>  <Formula> (1,424)
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>  <Synonyms> (1,424)
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FGFR

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>  <CAS> (1,424)
872511-34-7

>  <URL> (1,424)
htt

$$$$

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>  <Mol_ID> (1,442)
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>  <Formula> (1,442)
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CH7057288

>  <Synonyms> (1,442)
N/A

>  <Target> (1,442)
Trk receptor

>  <Form> (1,442)
Free Base

>  <CAS> (1,442)
2095616-82-1

>  <URL> (1,442)
htt

$$$$

csChFnd80/12302109272D

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1448

>  <Formula> (1,443)
C27H29N5O3

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471.55086

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S8791

>  <Name> (1,443)
Zanubrutinib

>  <Synonyms> (1,443)
N/A

>  <Target> (1,443)
BTK

>  <Form> (1,443)
Free Base

>  <CAS> (1,443)
1691249-45-2

>  <URL> (1,443)
htt

$$$$

csChFnd80/12302109272D

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1449

>  <Formula> (1,444)
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>  <MolWeight> (1,444)
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>  <Cat> (1,444)
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>  <Name> (1,444)
ULK-101

>  <Synonyms> (1,444)
N/A

>  <Target> (1,444)
Autophagy

>  <Form> (1,444)
Free Base

>  <CAS> (1,444)
no cas

>  <URL> (1,444)
htt

$$$$

csChFnd80/12302109272D

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>  <Mol_ID> (1,445)
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>  <Formula> (1,445)
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>  <MolWeight> (1,445)
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>  <Cat> (1,445)
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>  <Synonyms> (1,445)
N/A

>  <Target> (1,445)
JAK

>  <Form> (1,445)
free base

>  <CAS> (1,445)
935666-88-9

>  <URL> (1,445)
htt

$$$$

csChFnd80/12302109272D

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free base

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htt

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free base

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free base

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555-60-2

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htt

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htt

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free base

>  <CAS> (1,450)
491833-30-8

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htt

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474.91406

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LX2343

>  <Synonyms> (1,456)
N/A

>  <Target> (1,456)
BACE

>  <Form> (1,456)
free base

>  <CAS> (1,456)
333745-53-2

>  <URL> (1,456)
htt

$$$$

csChFnd80/12302109272D

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>  <Mol_ID> (1,457)
1462

>  <Formula> (1,457)
C25H25Cl2FN6O3

>  <MolWeight> (1,457)
547.4088032

>  <Cat> (1,457)
S6505

>  <Name> (1,457)
X-376

>  <Synonyms> (1,457)
N/A

>  <Target> (1,457)
ALK

>  <Form> (1,457)
free base

>  <CAS> (1,457)
1365267-27-1

>  <URL> (1,457)
htt

$$$$

csChFnd80/12302109272D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,458)
1463

>  <Formula> (1,458)
C16H15N3O2

>  <MolWeight> (1,458)
281.3092

>  <Cat> (1,458)
S6506

>  <Name> (1,458)
Compound 401

>  <Synonyms> (1,458)
N/A

>  <Target> (1,458)
DNA-PK

>  <Form> (1,458)
free base

>  <CAS> (1,458)
168425-64-7

>  <URL> (1,458)
htt

$$$$

csChFnd80/12302109272D

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>  <Mol_ID> (1,459)
1464

>  <Formula> (1,459)
C24H28ClN2O7PS

>  <MolWeight> (1,459)
554.980081

>  <Cat> (1,459)
S6507

>  <Name> (1,459)
KN-92 phosph

>  <Synonyms> (1,459)
N/A

>  <Target> (1,459)
Others

>  <Form> (1,459)
phosphate

>  <CAS> (1,459)
1135280-28-2

>  <URL> (1,459)
htt

$$$$

csChFnd80/12302109272D

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htt

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dihydroch

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140663-38-3

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htt

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csChFnd80/12302109272D

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htt

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csChFnd80/12302109272D

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1104874-94-3

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htt

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htt

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csChFnd80/12302109272D

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136831-49-7

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htt

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csChFnd80/12302109272D

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free base

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195371-52-9

>  <URL> (1,473)
htt

$$$$

csChFnd80/12302109272D

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Tyr

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EGFR

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free base

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133550-34-2

>  <URL> (1,474)
htt

$$$$

csChFnd80/12302109272D

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>  <CAS> (1,475)
454453-49-7

>  <URL> (1,475)
htt

$$$$

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csChFnd80/12302109272D

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$$$$

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$$$$

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>  <CAS> (1,480)
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>  <URL> (1,480)
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$$$$

csChFnd80/12302109272D

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htt

$$$$

csChFnd80/12302109272D

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htt

$$$$

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>  <CAS> (1,484)
413599-62-9

>  <URL> (1,484)
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$$$$

csChFnd80/12302109272D

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1454585-06-8

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free base

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1227948-02-8

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htt

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free base

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947914-18-3

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htt

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htt

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csChFnd80/12302109272D

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free base

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1513879-19-0

>  <URL> (1,490)
htt

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free base

>  <CAS> (1,491)
736048-65-0

>  <URL> (1,491)
htt

$$$$

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>  <CAS> (1,492)
1353867-91-0

>  <URL> (1,492)
htt

$$$$

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htt

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csChFnd80/12302109272D

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free base

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2361659-62-1

>  <URL> (1,498)
htt

$$$$

csChFnd80/12302109272D

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free base

>  <CAS> (1,499)
1628256-23-4

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htt

$$$$

csChFnd80/12302109272D

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>  <Formula> (1,500)
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>  <CAS> (1,500)
2137030-98-7

>  <URL> (1,500)
htt

$$$$

csChFnd80/12302109272D

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1125780-41-7

>  <URL> (1,501)
htt

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csChFnd80/12302109272D

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374.23184

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>  <Form> (1,502)
Free Base

>  <CAS> (1,502)
229476-53-3

>  <URL> (1,502)
htt

$$$$

csChFnd80/12302109272D

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1508

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340.42276

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>  <Synonyms> (1,503)
N/A

>  <Target> (1,503)
CDK

>  <Form> (1,503)
Free Base

>  <CAS> (1,503)
189232-42-6

>  <URL> (1,503)
htt

$$$$

csChFnd80/12302109272D

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1509

>  <Formula> (1,504)
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>  <MolWeight> (1,504)
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>  <Synonyms> (1,504)
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>  <Target> (1,504)
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Free Base

>  <CAS> (1,504)
1191911-27-9

>  <URL> (1,504)
htt

$$$$

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htt

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509093-47-4

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htt

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1188890-28-9

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htt

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htt

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1525

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330786-25-9

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htt

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csChFnd80/12302109272D

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1526

>  <Formula> (1,521)
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375.8642232

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N/A

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CDK

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>  <CAS> (1,521)
1704801-24-0

>  <URL> (1,521)
htt

$$$$

csChFnd80/12302109272D

 30 33  0  0  0  0  0  0  0  0999 V2000
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1527

>  <Formula> (1,522)
C22H25ClN6O

>  <MolWeight> (1,522)
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>  <Cat> (1,522)
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N/A

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JNK

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Hydrochlo

>  <CAS> (1,522)
1438391-30-0

>  <URL> (1,522)
htt

$$$$

csChFnd80/12302109272D

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>  <Mol_ID> (1,523)
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>  <Formula> (1,523)
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>  <CAS> (1,523)
950912-80-8

>  <URL> (1,523)
htt

$$$$

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1472797-69-5

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htt

$$$$

csChFnd80/12302109272D

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ROS

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Free Base

>  <CAS> (1,537)
1505515-69-4

>  <URL> (1,537)
htt

$$$$

csChFnd80/12302109272D

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1543

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WD-

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Histone Methyltransferase

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Free Base

>  <CAS> (1,538)
890190-22-4

>  <URL> (1,538)
htt

$$$$

csChFnd80/12302109272D

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>  <Mol_ID> (1,539)
1544

>  <Formula> (1,539)
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>  <MolWeight> (1,539)
299.49188

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S2210

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>  <Target> (1,539)
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>  <Form> (1,539)
Free Base

>  <CAS> (1,539)
123-78-4

>  <URL> (1,539)
htt

$$$$

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>  <CAS> (1,546)
630124-46-8

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htt

$$$$

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1922098-69-8

>  <URL> (1,547)
htt

$$$$

csChFnd80/12302109272D

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303727-31-3

>  <URL> (1,548)
htt

$$$$

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htt

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1430723-35-5

>  <URL> (1,550)
htt

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>  <CAS> (1,551)
1579965-12-0

>  <URL> (1,551)
htt

$$$$

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htt

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>  <Form> (1,553)
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51415-02-2

>  <URL> (1,553)
htt

$$$$

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htt

$$$$

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>  <URL> (1,556)
htt

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htt

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htt

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csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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285986-31-4

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htt

$$$$

csChFnd80/12302109272D

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htt

$$$$

csChFnd80/12302109272D

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p38 MAPK

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1784751-19-4

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htt

$$$$

csChFnd80/12302109272D

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3476-86-6

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htt

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186611-04-1

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htt

$$$$

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1847461-43-1

>  <URL> (1,576)
htt

$$$$

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no cas

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htt

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Free Base

>  <CAS> (1,578)
1629166-02-4

>  <URL> (1,578)
htt

$$$$

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1584

>  <Formula> (1,579)
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>  <MolWeight> (1,579)
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>  <Synonyms> (1,579)
N/A

>  <Target> (1,579)
EGFR

>  <Form> (1,579)
Free Base

>  <CAS> (1,579)
879127-07-8

>  <URL> (1,579)
htt

$$$$

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133550-49-9

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htt

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csChFnd80/12302109272D

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N/A

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LIM kinase

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2244678-29-1

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htt

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R-10015

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N/A

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LIM kinase

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Free Base

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2097938-51-5

>  <URL> (1,587)
htt

$$$$

csChFnd80/12302109272D

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>  <CAS> (1,588)
1013920-15-4

>  <URL> (1,588)
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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csChFnd80/12302109272D

 22 24  0  0  0  0  0  0  0  0999 V2000
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292168-79-7

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htt

$$$$

csChFnd80/12302109272D

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1615

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S0707

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Casein Kinase

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sodium

>  <CAS> (1,610)
1309357-15-0

>  <URL> (1,610)
htt

$$$$

csChFnd80/12302109272D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,611)
1616

>  <Formula> (1,611)
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>  <MolWeight> (1,611)
392.5753

>  <Cat> (1,611)
S0752

>  <Name> (1,611)
AUDA

>  <Target> (1,611)
Epoxide Hydrolase

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free base

>  <CAS> (1,611)
479413-70-2

>  <URL> (1,611)
htt

$$$$

csChFnd80/12302109272D

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1617

>  <Formula> (1,612)
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>  <MolWeight> (1,612)
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>  <Name> (1,612)
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>  <Form> (1,612)
mesylate

>  <CAS> (1,612)
870087-36-8

>  <URL> (1,612)
htt

$$$$

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csChFnd80/12302109272D

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free base

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642-38-6

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htt

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csChFnd80/12302109272D

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ATM/ATR

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free base

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470-37-1

>  <URL> (1,619)
htt

$$$$

csChFnd80/12302109272D

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M  END
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1625

>  <Formula> (1,620)
C20H28O2

>  <MolWeight> (1,620)
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>  <Name> (1,620)
Dehydroabiet

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free base

>  <CAS> (1,620)
1740-19-8

>  <URL> (1,620)
htt

$$$$

csChFnd80/12302109272D

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>  <Formula> (1,621)
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RIP kinase

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free base

>  <CAS> (1,621)
465-39-4

>  <URL> (1,621)
htt

$$$$

csChFnd80/12302109272D

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>  <Formula> (1,622)
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>  <MolWeight> (1,622)
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Loureirin A

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Akt

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free base

>  <CAS> (1,622)
119425-89-7

>  <URL> (1,622)
htt

$$$$

csChFnd80/12302109272D

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17650-84-9

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>  <URL> (1,626)
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M  END
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>  <Formula> (1,631)
C16H17NO3

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Adrenergic Receptor

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free base

>  <CAS> (1,631)
5843-65-2

>  <URL> (1,631)
htt

$$$$

csChFnd80/12302109272D

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M  END
>  <Mol_ID> (1,632)
1637

>  <Formula> (1,632)
C16H12O6

>  <MolWeight> (1,632)
300.26288

>  <Cat> (1,632)
S3296

>  <Name> (1,632)
Hispidulin

>  <Target> (1,632)
Pim

>  <Form> (1,632)
free base

>  <CAS> (1,632)
1447-88-7

>  <URL> (1,632)
htt

$$$$

csChFnd80/12302109272D

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>  <Mol_ID> (1,633)
1638

>  <Formula> (1,633)
C12H16N2O

>  <MolWeight> (1,633)
204.26824

>  <Cat> (1,633)
S3298

>  <Name> (1,633)
Caulophyllin

>  <Target> (1,633)
AChR

>  <Form> (1,633)
free base

>  <CAS> (1,633)
486-86-2 (63

>  <URL> (1,633)
htt

$$$$

csChFnd80/12302109272D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
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1639

>  <Formula> (1,634)
C19H18NO4+

>  <MolWeight> (1,634)
324.35052

>  <Cat> (1,634)
S3299

>  <Name> (1,634)
Demethyleneb

>  <Target> (1,634)
Peroxidases

>  <Form> (1,634)
free base

>  <CAS> (1,634)
25459-91-0

>  <URL> (1,634)
htt

$$$$

csChFnd80/12302109272D

 34 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,635)
1640

>  <Formula> (1,635)
C27H33ClN2O4

>  <MolWeight> (1,635)
485.01492

>  <Cat> (1,635)
S6760

>  <Name> (1,635)
LM22B-10

>  <Target> (1,635)
Trk receptor

>  <Form> (1,635)
free base

>  <CAS> (1,635)
342777-54-2

>  <URL> (1,635)
htt

$$$$

csChFnd80/12302109272D

 31 36  0  0  0  0  0  0  0  0999 V2000
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htt

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mesylate

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1869057-83-9

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htt

$$$$

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htt

$$$$

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565-73-1

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htt

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htt

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htt

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65497-07-6

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htt

$$$$

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>  <Form> (1,676)
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>  <CAS> (1,676)
5928-25-6

>  <URL> (1,676)
htt

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N/A

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Free Base

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58479-68-8

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htt

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ERK

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>  <CAS> (1,678)
630-94-4

>  <URL> (1,678)
htt

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lyc

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17406-45-0

>  <URL> (1,679)
htt

$$$$

csChFnd80/12302109272D

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>  <Synonyms> (1,680)
N/A

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Free Base

>  <CAS> (1,680)
2123489-30-3

>  <URL> (1,680)
htt

$$$$

csChFnd80/12302109272D

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>  <Synonyms> (1,681)
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SIK

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Free Base

>  <CAS> (1,681)
2172617-15-9

>  <URL> (1,681)
htt

$$$$

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csChFnd80/12302109272D

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htt

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csChFnd80/12302109272D

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htt

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1692

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265.3065

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>  <Target> (1,687)
VEGFR. HER2

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Free Base

>  <CAS> (1,687)
186611-11-0

>  <URL> (1,687)
htt

$$$$

csChFnd80/12302109272D

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>  <Formula> (1,688)
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>  <MolWeight> (1,688)
246.26186

>  <Cat> (1,688)
S0323

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Antineoplast

>  <Synonyms> (1,688)
N/A

>  <Target> (1,688)
Ras

>  <Form> (1,688)
Free Base

>  <CAS> (1,688)
91531-30-5

>  <URL> (1,688)
htt

$$$$

csChFnd80/12302109272D

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M  END
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1694

>  <Formula> (1,689)
C16H11N3O3

>  <MolWeight> (1,689)
293.27684

>  <Cat> (1,689)
S0354

>  <Name> (1,689)
Alsterpaullo

>  <Synonyms> (1,689)
Alp

>  <Target> (1,689)
CDK. GSK-3. apoptosis related. Caspase

>  <Form> (1,689)
Free Base

>  <CAS> (1,689)
237430-03-4

>  <URL> (1,689)
htt

$$$$

csChFnd80/12302109272D

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1695

>  <Formula> (1,690)
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>  <MolWeight> (1,690)
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>  <Cat> (1,690)
S0361

>  <Name> (1,690)
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>  <Synonyms> (1,690)
c-M

>  <Target> (1,690)
c-Met

>  <Form> (1,690)
Free Base

>  <CAS> (1,690)
913376-84-8

>  <URL> (1,690)
htt

$$$$

csChFnd80/12302109272D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,691)
1696

>  <Formula> (1,691)
C17H16FN5

>  <MolWeight> (1,691)
309.3408432

>  <Cat> (1,691)
S0373

>  <Name> (1,691)
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>  <Synonyms> (1,691)
CZC

>  <Target> (1,691)
Bcr-Abl

>  <Form> (1,691)
Free Base

>  <CAS> (1,691)
916603-07-1

>  <URL> (1,691)
htt

$$$$

csChFnd80/12302109272D

 26 28  0  0  0  0  0  0  0  0999 V2000
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htt

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>  <CAS> (1,693)
1265789-88-5

>  <URL> (1,693)
htt

$$$$

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AMPK. apoptosis related

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Free Base

>  <CAS> (1,694)
210302-17-3

>  <URL> (1,694)
htt

$$$$

csChFnd80/12302109272D

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1404437-62-2

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htt

$$$$

csChFnd80/12302109272D

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>  <Mol_ID> (1,696)
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>  <Formula> (1,696)
C15H12Cl2N4O

>  <MolWeight> (1,696)
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>  <Cat> (1,696)
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>  <Name> (1,696)
Adjudin

>  <Synonyms> (1,696)
AF-

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Chloride Channel. NF-¦ÊB. ERK

>  <Form> (1,696)
Free Base

>  <CAS> (1,696)
252025-52-8

>  <URL> (1,696)
htt

$$$$

csChFnd80/12302109272D

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  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  9 10  2  0  0  0  0
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  2 11  1  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
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M  END
>  <Mol_ID> (1,697)
1702

>  <Formula> (1,697)
C16H16N4

>  <MolWeight> (1,697)
264.32504

>  <Cat> (1,697)
S0771

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BRD6989

>  <Synonyms> (1,697)
N/A

>  <Target> (1,697)
CDK. Interleukins.

>  <Form> (1,697)
Free Base

>  <CAS> (1,697)
642008-81-9

>  <URL> (1,697)
htt

$$$$

csChFnd80/12302109272D

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  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
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  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
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 10 14  2  0  0  0  0
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M  END
>  <Mol_ID> (1,698)
1703

>  <Formula> (1,698)
C22H16N2O2

>  <MolWeight> (1,698)
340.37464

>  <Cat> (1,698)
S0775

>  <Name> (1,698)
IRAK4-IN-4

>  <Synonyms> (1,698)
N/A

>  <Target> (1,698)
IRAK, cGAS

>  <Form> (1,698)
Free Base

>  <CAS> (1,698)
1850276-58-2

>  <URL> (1,698)
htt

$$$$

csChFnd80/12302109272D

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M  END
>  <Mol_ID> (1,699)
1704

>  <Formula> (1,699)
C16H12ClNO

>  <MolWeight> (1,699)
269.72558

>  <Cat> (1,699)
S0780

>  <Name> (1,699)
Oncrasin-1

>  <Synonyms> (1,699)
N/A

>  <Target> (1,699)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (1,699)
Free Base

>  <CAS> (1,699)
75629-57-1

>  <URL> (1,699)
htt

$$$$

csChFnd80/12302109272D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,700)
1705

>  <Formula> (1,700)
C20H11N3O3

>  <MolWeight> (1,700)
341.31964

>  <Cat> (1,700)
S0781

>  <Name> (1,700)
IQ 3

>  <Synonyms> (1,700)
N/A

>  <Target> (1,700)
JNK. NF-¦ÊB. TNF-¦Á. IL-6

>  <Form> (1,700)
Free Base

>  <CAS> (1,700)
312538-03-7

>  <URL> (1,700)
htt

$$$$

csChFnd80/12302109272D

 24 26  0  0  0  0  0  0  0  0999 V2000
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1706

>  <Formula> (1,701)
C16H11Cl2N3O2S

>  <MolWeight> (1,701)
380.24844

>  <Cat> (1,701)
S0795

>  <Name> (1,701)
O-304

>  <Synonyms> (1,701)
O-3

>  <Target> (1,701)
AMPK

>  <Form> (1,701)
Free Base

>  <CAS> (1,701)
1261289-04-6

>  <URL> (1,701)
htt

$$$$

csChFnd80/12302109272D

 26 28  0  0  0  0  0  0  0  0999 V2000
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htt

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csChFnd80/12302109272D

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Trk receptor

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37988-18-4

>  <URL> (1,703)
htt

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csChFnd80/12302109272D

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1354707-41-7

>  <URL> (1,704)
htt

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csChFnd80/12302109272D

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Rho

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>  <CAS> (1,705)
16616-39-0

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htt

$$$$

csChFnd80/12302109272D

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831234-13-0

>  <URL> (1,706)
htt

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PDK

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Free Base

>  <CAS> (1,707)
729-46-4

>  <URL> (1,707)
htt

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csChFnd80/12302109272D

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N/A

>  <Target> (1,708)
Bcr-Abl. Aurora Kinase. IGF-1R. Src.

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Free Base

>  <CAS> (1,708)
898280-07-4

>  <URL> (1,708)
htt

$$$$

csChFnd80/12302109272D

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1714

>  <Formula> (1,709)
C29H30O13

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Amarogentin

>  <Synonyms> (1,709)
AG

>  <Target> (1,709)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (1,709)
Free Base

>  <CAS> (1,709)
21018-84-8

>  <URL> (1,709)
htt

$$$$

csChFnd80/12302109272D

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1715

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N/A

>  <Target> (1,710)
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Free Base

>  <CAS> (1,710)
1139-83-9

>  <URL> (1,710)
htt

$$$$

csChFnd80/12302109272D

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AMPK

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Free Base

>  <CAS> (1,711)
1621-56-3

>  <URL> (1,711)
htt

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>  <Synonyms> (1,712)
(S)

>  <Target> (1,712)
Histone Demethylase

>  <Form> (1,712)
Disodium

>  <CAS> (1,712)
63512-50-5

>  <URL> (1,712)
htt

$$$$

csChFnd80/12302109272D

 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> (1,713)
1718

>  <Formula> (1,713)
C30H36Br2N4O2

>  <MolWeight> (1,713)
644.44044

>  <Cat> (1,713)
S2942

>  <Name> (1,713)
EB-3D

>  <Synonyms> (1,713)
N/A

>  <Target> (1,713)
Choline kinase. AMPK. Apoptosis related

>  <Form> (1,713)
Free Base

>  <CAS> (1,713)
1839150-63-8

>  <URL> (1,713)
htt

$$$$

csChFnd80/12302109272D

 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> (1,714)
1719

>  <Formula> (1,714)
C13H17Cl2N3O2S

>  <MolWeight> (1,714)
350.26398

>  <Cat> (1,714)
S2964

>  <Name> (1,714)
HA-100 dihyd

>  <Synonyms> (1,714)
N/A

>  <Target> (1,714)
PKG, PKA, PKC, MLCK

>  <Form> (1,714)
Dihydroch

>  <CAS> (1,714)
210297-47-5

>  <URL> (1,714)
htt

$$$$

csChFnd80/12302109272D

 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> (1,715)
1720

>  <Formula> (1,715)
C12H14N2O2

>  <MolWeight> (1,715)
218.25176

>  <Cat> (1,715)
S2985

>  <Name> (1,715)
N-Acetyl-5-h

>  <Synonyms> (1,715)
NAS

>  <Target> (1,715)
Trk receptor

>  <Form> (1,715)
Free Base

>  <CAS> (1,715)
1210-83-9

>  <URL> (1,715)
htt

$$$$

csChFnd80/12302109272D

  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> (1,716)
1721

>  <Formula> (1,716)
C3H4O3

>  <MolWeight> (1,716)
88.06206

>  <Cat> (1,716)
S3143

>  <Name> (1,716)
Pyruvic acid

>  <Synonyms> (1,716)
Ace

>  <Target> (1,716)
LDH. Casein Kinase. ATPase.

>  <Form> (1,716)
Free Base

>  <CAS> (1,716)
127-17-3

>  <URL> (1,716)
htt

$$$$

csChFnd80/12302109272D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410    9.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410   10.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5534    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,717)
1722

>  <Formula> (1,717)
C16H30O2

>  <MolWeight> (1,717)
254.4082

>  <Cat> (1,717)
S3341

>  <Name> (1,717)
Palmitoleic 

>  <Synonyms> (1,717)
POA

>  <Target> (1,717)
AMPK

>  <Form> (1,717)
Free Base

>  <CAS> (1,717)
373-49-9

>  <URL> (1,717)
htt

$$$$

csChFnd80/12302109272D

 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> (1,718)
1723

>  <Formula> (1,718)
C7H7NO3

>  <MolWeight> (1,718)
153.13538

>  <Cat> (1,718)
S3355

>  <Name> (1,718)
3-Hydroxyant

>  <Synonyms> (1,718)
3-H

>  <Target> (1,718)
PI3K, Akt, mTOR, NF-¦ÊB

>  <Form> (1,718)
Free Base

>  <CAS> (1,718)
548-93-6

>  <URL> (1,718)
htt

$$$$

csChFnd80/12302109272D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.6340    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    4.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045    2.1152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4082    2.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6340    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486    4.1964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6294    2.1051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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YN9

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VEGFR/c-RET

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Free Base

>  <CAS> (1,719)
811803-05-1

>  <URL> (1,719)
htt

$$$$

csChFnd80/12302109272D

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>  <Mol_ID> (1,720)
1725

>  <Formula> (1,720)
C17H20N6O2S

>  <MolWeight> (1,720)
372.4447

>  <Cat> (1,720)
S6517

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GNE-493

>  <Synonyms> (1,720)
N/A

>  <Target> (1,720)
PI3K. mTOR.

>  <Form> (1,720)
Free Base

>  <CAS> (1,720)
1033735-94-2

>  <URL> (1,720)
htt

$$$$

csChFnd80/12302109272D

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1726

>  <Formula> (1,721)
C26H24IN7O

>  <MolWeight> (1,721)
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S6912

>  <Name> (1,721)
Vacuolin-1

>  <Synonyms> (1,721)
N/A

>  <Target> (1,721)
PIKfyve. Autophagy

>  <Form> (1,721)
Free Base

>  <CAS> (1,721)
351986-85-1

>  <URL> (1,721)
htt

$$$$

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>  <Mol_ID> (1,722)
1727

>  <Formula> (1,722)
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>  <MolWeight> (1,722)
371.3772664

>  <Cat> (1,722)
S6920

>  <Name> (1,722)
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>  <Synonyms> (1,722)
N/A

>  <Target> (1,722)
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>  <Form> (1,722)
Free Base

>  <CAS> (1,722)
223104-29-8

>  <URL> (1,722)
htt

$$$$

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M  END
>  <Mol_ID> (1,723)
1728

>  <Formula> (1,723)
C22H27ClN4O5

>  <MolWeight> (1,723)
462.92658

>  <Cat> (1,723)
S6921

>  <Name> (1,723)
Dorzagliatin

>  <Synonyms> (1,723)
HMS

>  <Target> (1,723)
Carbohydrate Metabolism

>  <Form> (1,723)
Free Base

>  <CAS> (1,723)
1191995-00-2

>  <URL> (1,723)
htt

$$$$

csChFnd80/12302109272D

  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> (1,724)
1729

>  <Formula> (1,724)
R

>  <Cat> (1,724)
S6955

>  <Name> (1,724)
Insulin (hum

>  <Synonyms> (1,724)
Ins

>  <Target> (1,724)
IGF-1R

>  <Form> (1,724)
Free Base

>  <CAS> (1,724)
11061-68-0

>  <URL> (1,724)
htt

$$$$

csChFnd80/12302109272D

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M  END
>  <Mol_ID> (1,725)
1730

>  <Formula> (1,725)
C40H52N8O10S2

>  <MolWeight> (1,725)
869.01848

>  <Cat> (1,725)
S8979

>  <Name> (1,725)
THAL-SNS-032

>  <Synonyms> (1,725)
N/A

>  <Target> (1,725)
CDK. PROTAC. E3 Ligase

>  <Form> (1,725)
Free Base

>  <CAS> (1,725)
2139287-33-3

>  <URL> (1,725)
htt

$$$$

csChFnd80/12302109272D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,726)
1731

>  <Formula> (1,726)
C32H33ClN8O2

>  <MolWeight> (1,726)
597.10982

>  <Cat> (1,726)
S9643

>  <Name> (1,726)
DGY-06-116

>  <Synonyms> (1,726)
N/A

>  <Target> (1,726)
Src

>  <Form> (1,726)
Free Base

>  <CAS> (1,726)
unknown

>  <URL> (1,726)
htt

$$$$

csChFnd80/12302109272D

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168682-53-9

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htt

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>  <Synonyms> (1,728)
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>  <Target> (1,728)
IRAK

>  <Form> (1,728)
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>  <CAS> (1,728)
unknown

>  <URL> (1,728)
htt

$$$$

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phosphatase

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2160546-07-4

>  <URL> (1,729)
htt

$$$$

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2103-64-2

>  <URL> (1,730)
htt

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2414572-47-5

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htt

$$$$

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EGFR

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289499-45-2

>  <URL> (1,735)
htt

$$$$

csChFnd80/12302109272D

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CDK

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571190-30-2

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htt

$$$$

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htt

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csChFnd80/12302109272D

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htt

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M  END
>  <Mol_ID> (1,743)
1748

>  <Formula> (1,743)
C21H19NO5

>  <MolWeight> (1,743)
365.37926

>  <Cat> (1,743)
S0235

>  <Name> (1,743)
Lavendustin 

>  <Synonyms> (1,743)
N/A

>  <Target> (1,743)
Integrase

>  <Form> (1,743)
Free Base

>  <CAS> (1,743)
125697-91-8

>  <URL> (1,743)
htt

$$$$

csChFnd80/12302109272D

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M  END
>  <Mol_ID> (1,744)
1749

>  <Formula> (1,744)
C16H13Cl2N3O2

>  <MolWeight> (1,744)
350.19932

>  <Cat> (1,744)
S0374

>  <Name> (1,744)
GDC046

>  <Synonyms> (1,744)
N/A

>  <Target> (1,744)
JAK

>  <Form> (1,744)
Free Base

>  <CAS> (1,744)
1258292-64-6

>  <URL> (1,744)
htt

$$$$

csChFnd80/12302109272D

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M  END
>  <Mol_ID> (1,745)
1750

>  <Formula> (1,745)
C19H18FN3O2

>  <MolWeight> (1,745)
339.3635232

>  <Cat> (1,745)
S0995

>  <Name> (1,745)
BioE-1115

>  <Synonyms> (1,745)
N/A

>  <Target> (1,745)
Serine/threonin kinase

>  <Form> (1,745)
Free Base

>  <CAS> (1,745)
1268863-35-9

>  <URL> (1,745)
htt

$$$$

csChFnd80/12302109272D

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M  END
>  <Mol_ID> (1,746)
1751

>  <Formula> (1,746)
C20H19ClN6O

>  <MolWeight> (1,746)
394.85746

>  <Cat> (1,746)
S8988

>  <Name> (1,746)
Rhosin hydro

>  <Synonyms> (1,746)
G04

>  <Target> (1,746)
Rho

>  <Form> (1,746)
Hydrochlo

>  <CAS> (1,746)
1281870-42-5

>  <URL> (1,746)
htt

$$$$

csChFnd80/12302109272D

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htt

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657-24-9

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htt

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Col

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80573-04-2

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htt

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Sti

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VEGFR

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Hydrochlo

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835621-07-3

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htt

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892686-59-8

>  <URL> (1,758)
htt

$$$$

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M  END
>  <Mol_ID> (1,759)
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>  <MolWeight> (1,759)
732.5148442

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S4944

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Fostamatinib

>  <Synonyms> (1,759)
Tav

>  <Target> (1,759)
Syk

>  <Form> (1,759)
Disodium 

>  <CAS> (1,759)
914295-16-2

>  <URL> (1,759)
htt

$$$$

csChFnd80/12302109272D

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M  END
>  <Mol_ID> (1,760)
1765

>  <Formula> (1,760)
C28H25ClF3N7O2

>  <MolWeight> (1,760)
583.9920096

>  <Cat> (1,760)
S4895

>  <Name> (1,760)
Nilotinib hy

>  <Synonyms> (1,760)
Tas

>  <Target> (1,760)
Bcr-Abl

>  <Form> (1,760)
Hydrochlo

>  <CAS> (1,760)
923288-90-8

>  <URL> (1,760)
htt

$$$$

csChFnd80/12302109272D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 27  9  2  0  0  0  0
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 12  9  1  0  0  0  0
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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> (1,761)
1766

>  <Formula> (1,761)
C22H28Cl2O4

>  <MolWeight> (1,761)
427.36132

>  <Cat> (1,761)
E0001

>  <Name> (1,761)
DCPIB

>  <Synonyms> (1,761)
N/A

>  <Target> (1,761)
Potassium Channel

>  <Form> (1,761)
Free Base

>  <CAS> (1,761)
82749-70-0

>  <URL> (1,761)
htt

$$$$

csChFnd80/12302109272D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1   1  -1
M  CHG  1   2   1
M  RAD  1   3   1
M  END
>  <Mol_ID> (1,762)
1767

>  <Formula> (1,762)
C29H35ClN2O2P **

>  <MolWeight> (1,762)
510.027161

>  <Cat> (1,762)
S9733

>  <Name> (1,762)
Mito-TEMPO

>  <Synonyms> (1,762)
N/A

>  <Target> (1,762)
RIP kinase

>  <Form> (1,762)
Free Base

>  <CAS> (1,762)
1334850-99-5

>  <URL> (1,762)
htt

$$$$

csChFnd80/12302109272D

 36 41  0  0  0  0  0  0  0  0999 V2000
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1617-70-5

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htt

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>  <Formula> (1,768)
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945619-74-9

>  <URL> (1,768)
htt

$$$$

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csChFnd80/12302109272D

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htt

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csChFnd80/12302109272D

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htt

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PRT

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JAK

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Free Base

>  <CAS> (1,776)
1198300-79-6

>  <URL> (1,776)
htt

$$$$

csChFnd80/12302109272D

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1782

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>  <Synonyms> (1,777)
N/A

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AMPK

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Free Base

>  <CAS> (1,777)
1221412-23-2

>  <URL> (1,777)
htt

$$$$

csChFnd80/12302109272D

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1783

>  <Formula> (1,778)
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>  <MolWeight> (1,778)
486.3815

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CID44216842

>  <Synonyms> (1,778)
Cdc

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Rho

>  <Form> (1,778)
Free Base

>  <CAS> (1,778)
1222513-26-9

>  <URL> (1,778)
htt

$$$$

csChFnd80/12302109272D

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>  <Formula> (1,779)
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>  <MolWeight> (1,779)
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>  <Synonyms> (1,779)
N/A

>  <Target> (1,779)
Serine/threonin kinase

>  <Form> (1,779)
Free Base

>  <CAS> (1,779)
2056122-11-1

>  <URL> (1,779)
htt

$$$$

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M  END
>  <Mol_ID> (1,780)
1785

>  <Formula> (1,780)
C12H22ClN3OS

>  <MolWeight> (1,780)
291.84058

>  <Cat> (1,780)
S6078

>  <Name> (1,780)
ICCB-19 hydr

>  <Synonyms> (1,780)
N/A

>  <Target> (1,780)
RIP kinase

>  <Form> (1,780)
Hydrochlo

>  <CAS> (1,780)
1803605-68-6

>  <URL> (1,780)
htt

$$$$

csChFnd80/12302109272D

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M  END
>  <Mol_ID> (1,781)
1786

>  <Formula> (1,781)
C17H11Cl2N3O2

>  <MolWeight> (1,781)
360.19414

>  <Cat> (1,781)
S6085

>  <Name> (1,781)
KY19382 (A30

>  <Synonyms> (1,781)
N/A

>  <Target> (1,781)
GSK-3

>  <Form> (1,781)
Free Base

>  <CAS> (1,781)
2226664-93-1

>  <URL> (1,781)
htt

$$$$

csChFnd80/12302109272D

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M  END
>  <Mol_ID> (1,782)
1787

>  <Formula> (1,782)
C16H23Cl2N3O2S

>  <MolWeight> (1,782)
392.34372

>  <Cat> (1,782)
S6214

>  <Name> (1,782)
H-1152 dihyd

>  <Synonyms> (1,782)
H-1

>  <Target> (1,782)
Aurora Kinase

>  <Form> (1,782)
Dihydroch

>  <CAS> (1,782)
871543-07-6

>  <URL> (1,782)
htt

$$$$

csChFnd80/12302109272D

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>  <Mol_ID> (1,783)
1788

>  <Formula> (1,783)
C20H21N5

>  <MolWeight> (1,783)
331.41424

>  <Cat> (1,783)
S6383

>  <Name> (1,783)
1-NM-PP1

>  <Synonyms> (1,783)
PP1

>  <Target> (1,783)
Src

>  <Form> (1,783)
Free Base

>  <CAS> (1,783)
221244-14-0

>  <URL> (1,783)
htt

$$$$

csChFnd80/12302109272D

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>  <Mol_ID> (1,784)
1789

>  <Formula> (1,784)
C14H21N3O

>  <MolWeight> (1,784)
247.33604

>  <Cat> (1,784)
S6390

>  <Name> (1,784)
Y-27632

>  <Synonyms> (1,784)
N/A

>  <Target> (1,784)
ROCK

>  <Form> (1,784)
Free Base

>  <CAS> (1,784)
146986-50-7

>  <URL> (1,784)
htt

$$$$

csChFnd80/12302109272D

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$$$$

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Rho

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>  <CAS> (1,786)
425399-05-9

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htt

$$$$

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2326428-25-3

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htt

$$$$

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>  <CAS> (1,788)
724711-21-1

>  <URL> (1,788)
htt

$$$$

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M  END
>  <Mol_ID> (1,796)
1801

>  <Formula> (1,796)
C39H40N10O7

>  <MolWeight> (1,796)
760.7977

>  <Cat> (1,796)
S9880

>  <Name> (1,796)
MS140

>  <Synonyms> (1,796)
N/A

>  <Target> (1,796)
CDK

>  <Form> (1,796)
Free Base

>  <CAS> (1,796)
2229974-83-6

>  <URL> (1,796)
htt

$$$$
