
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (1)
1

>  <Formula> (1)
C42H45ClN6O5S2

>  <MolWeight> (1)
813.4269

>  <Cat> (1)
S1002

>  <Name> (1)
ABT-737

>  <Synonyms> (1)
N/A

>  <Target> (1)
Apoptosis related,Autophagy,Bcl-2,Mitophagy

>  <Form> (1)
free base

>  <CAS> (1)
852808-04-9

>  <URL> (1)
http://selleckchem.com/products/ABT-737.html

$$$$
untitled.cdx
csChFnd80/06052515002D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (2)
2

>  <Formula> (2)
C21H18FN5O

>  <MolWeight> (2)
375.3989232

>  <Cat> (2)
S1003

>  <Name> (2)
Linifanib (ABT-869)

>  <Synonyms> (2)
AL39324,RG3635

>  <Target> (2)
Apoptosis related,Autophagy,CSF-1R,FLT3,PDGFR,VEGFR

>  <Form> (2)
free base

>  <CAS> (2)
796967-16-3

>  <URL> (2)
http://selleckchem.com/products/ABT-869.html

$$$$
ABT-888(Veliparib).cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (3)
3

>  <Formula> (3)
C13H16N4O

>  <MolWeight> (3)
244.29234

>  <Cat> (3)
S1004

>  <Name> (3)
Veliparib (ABT-888)

>  <Synonyms> (3)
NSC 737664

>  <Target> (3)
Apoptosis related,Autophagy,PARP

>  <Form> (3)
free base

>  <CAS> (3)
912444-00-9

>  <URL> (3)
http://selleckchem.com/products/ABT-888.html

$$$$
untitled.cdx
csChFnd80/06052515002D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4)
4

>  <Formula> (4)
C22H18N4OS

>  <MolWeight> (4)
386.46952

>  <Cat> (4)
S1005

>  <Name> (4)
Axitinib (AG 013736)

>  <Synonyms> (4)
AG 013736

>  <Target> (4)
c-Kit,PDGFR,VEGFR

>  <Form> (4)
free base

>  <CAS> (4)
319460-85-0

>  <URL> (4)
http://selleckchem.com/products/Axitinib.html

$$$$
untitled.cdx
csChFnd80/06052515002D

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 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
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 27 22  1  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
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M  END
>  <Mol_ID> (5)
5

>  <Formula> (5)
C27H32ClN5O5

>  <MolWeight> (5)
542.02648

>  <Cat> (5)
S1006

>  <Name> (5)
Saracatinib (AZD0530)

>  <Synonyms> (5)
N/A

>  <Target> (5)
Autophagy,EGFR,Src

>  <Form> (5)
free base

>  <CAS> (5)
379231-04-6

>  <URL> (5)
http://selleckchem.com/products/AZD0530.html

$$$$
azd6244.cdx
csChFnd80/06052515002D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    6.0411    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    4.3133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (6)
6

>  <Formula> (6)
C17H15BrClFN4O3

>  <MolWeight> (6)
457.6814032

>  <Cat> (6)
S1008

>  <Name> (6)
Selumetinib (AZD6244)

>  <Synonyms> (6)
ARRY-142886

>  <Target> (6)
Apoptosis related,MEK

>  <Form> (6)
free base

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

>  <URL> (6)
http://selleckchem.com/products/AZD6244.html

$$$$
untitled.cdx
csChFnd80/06052515002D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (7)
7

>  <Formula> (7)
C31H33N5O4

>  <MolWeight> (7)
539.62482

>  <Cat> (7)
S1010

>  <Name> (7)
Nintedanib (BIBF 1120)

>  <Synonyms> (7)
Intedanib, Vargatef, Ofev

>  <Target> (7)
FGFR,PDGFR,Src,VEGFR

>  <Form> (7)
free base

>  <CAS> (7)
656247-17-5

>  <URL> (7)
http://selleckchem.com/products/BIBF1120.html

$$$$
Dasatinib.cdx
csChFnd80/06052515002D

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    0.0000    7.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8743    6.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2584    6.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4020   10.6911    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1296    5.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
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 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  2 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 27 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (8)
12

>  <Formula> (8)
C22H26ClN7O2S

>  <MolWeight> (8)
488.00554

>  <Cat> (8)
S1021

>  <Name> (8)
Dasatinib (BMS-354825)

>  <Synonyms> (8)
BMS-354825

>  <Target> (8)
Apoptosis related,Autophagy,Bcr-Abl,c-Kit,Src

>  <Form> (8)
free base

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

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

$$$$
untitled.cdx
csChFnd80/06052515002D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.4660    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1033    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3157    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (9)
15

>  <Formula> (9)
C22H24ClFN4O3

>  <MolWeight> (9)
446.9023632

>  <Cat> (9)
S1025

>  <Name> (9)
Gefitinib (ZD1839)

>  <Synonyms> (9)
Iressa,ZD1839

>  <Target> (9)
Apoptosis related,Autophagy,EGFR

>  <Form> (9)
free base

>  <CAS> (9)
184475-35-2

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

$$$$
untitled.cdx
csChFnd80/06052515002D

 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
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    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
    3.7564    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.7951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6744    1.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    1.5827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9768    0.3745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    5.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  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  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  2  0  0  0  0
  9 18  2  0  0  0  0
  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (10)
18

>  <Formula> (10)
C13H13N3O3

>  <MolWeight> (10)
259.26062

>  <Cat> (10)
S1029

>  <Name> (10)
Lenalidomide (CC-5013)

>  <Synonyms> (10)
CC-5013

>  <Target> (10)
Apoptosis related,Caspase,E3 Ligase ,E3 ligase Ligand,TNF-alpha,VEGFR

>  <Form> (10)
free base

>  <CAS> (10)
191732-72-6

>  <URL> (10)
https://www.selleckchem.com/products/lenalidomide-s1029.html

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/06052515002D

 38 39  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.1771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.0698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   11.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   12.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   13.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   14.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   13.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   12.1649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   11.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    9.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0141    9.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0276    8.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2946    5.7325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0947    7.1311    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961    7.1311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0947    8.5297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4933    7.1311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0947    5.7325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
 34 38  1  0  0  0  0
M  END
>  <Mol_ID> (11)
20

>  <Formula> (11)
C22H29N5O9P2

>  <MolWeight> (11)
569.441282

>  <Cat> (11)
S1032

>  <Name> (11)
Motesanib Diphosphate (AMG-706)

>  <Synonyms> (11)
N/A

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

>  <Form> (11)
Diphosphate

>  <CAS> (11)
857876-30-3

>  <URL> (11)
http://selleckchem.com/products/Motesanib-Diphosphate.html

$$$$
untitled.cdx
csChFnd80/06052515002D

 39 43  0  0  0  0  0  0  0  0999 V2000
   10.8610    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8610    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0735    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2859    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2859    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0735    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4941    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4941    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7023    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7023    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9148    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1272    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1272    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9148    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3354    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.7603    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  2  0  0  0  0
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 27 28  1  0  0  0  0
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M  END
>  <Mol_ID> (12)
21

>  <Formula> (12)
C28H22F3N7O

>  <MolWeight> (12)
529.5157896

>  <Cat> (12)
S1033

>  <Name> (12)
Nilotinib (AMN-107)

>  <Synonyms> (12)
AMN-107

>  <Target> (12)
AMPK,Autophagy,Bcr-Abl

>  <Form> (12)
free base

>  <CAS> (12)
641571-10-0

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

$$$$
untitled.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (13)
23

>  <Formula> (13)
C16H14F3IN2O4

>  <MolWeight> (13)
482.1930396

>  <Cat> (13)
S1036

>  <Name> (13)
Mirdametinib (PD0325901)

>  <Synonyms> (13)
N/A

>  <Target> (13)
MEK

>  <Form> (13)
free base

>  <CAS> (13)
391210-10-9

>  <URL> (13)
http://selleckchem.com/products/PD-0325901.html

$$$$
1.cdx
csChFnd80/06052515002D

 26 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
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  1  8  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 14 10  1  0  0  0  0
  4 15  1  0  0  0  0
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 17 18  2  0  0  0  0
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 20 15  1  0  0  0  0
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 26  7  1  0  0  0  0
M  END
>  <Mol_ID> (14)
26

>  <Formula> (14)
C19H16N4O3

>  <MolWeight> (14)
348.35534

>  <Cat> (14)
S1038

>  <Name> (14)
PI-103

>  <Synonyms> (14)
N/A

>  <Target> (14)
Apoptosis related,Autophagy,DNA-PK,mTOR,PI3K

>  <Form> (14)
free base

>  <CAS> (14)
371935-74-9

>  <URL> (14)
http://selleckchem.com/products/PI-103.html

$$$$
RAPAMYCIN.cdx
csChFnd80/06052515002D

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (15)
27

>  <Formula> (15)
C51H79NO13

>  <MolWeight> (15)
914.17186

>  <Cat> (15)
S1039

>  <Name> (15)
Rapamycin (AY-22989)

>  <Synonyms> (15)
Rapamune, Sirolimus, NSC-2260804,AY-22989

>  <Target> (15)
Antineoplastic and Immunosuppressive Antibiotics,Autophagy,mTOR

>  <Form> (15)
free base

>  <CAS> (15)
53123-88-9

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

$$$$

csChFnd80/06052515002D

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 30 32  1  0  0  0  0
  8  9  1  0  0  0  0
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 33 34  2  0  0  0  0
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 40 43  2  0  0  0  0
M  END
>  <Mol_ID> (16)
28

>  <Formula> (16)
C28H24ClF3N4O6S

>  <MolWeight> (16)
637.0265696

>  <Cat> (16)
S1040

>  <Name> (16)
Sorafenib (BAY 43-9006) tosylate

>  <Synonyms> (16)
BAY 43-9006 tosylate,NSC-724772 tosylate

>  <Target> (16)
Apoptosis related,Autophagy,c-Kit,Ferroptosis,FGFR,FLT3,PDGFR,Raf,VEGFR

>  <Form> (16)
Tosylate

>  <CAS> (16)
475207-59-1

>  <URL> (16)
http://selleckchem.com/products/Sorafenib-Tosylate.html

$$$$
vorinostat.cdx
csChFnd80/06052515002D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (17)
31

>  <Formula> (17)
C14H20N2O3

>  <MolWeight> (17)
264.3202

>  <Cat> (17)
S1047

>  <Name> (17)
Vorinostat (SAHA)

>  <Synonyms> (17)
SAHA,MK0683, Suberoylanilide hydroxamic acid, Zolinza

>  <Target> (17)
Autophagy,HDAC,HPV

>  <Form> (17)
free base

>  <CAS> (17)
149647-78-9

>  <URL> (17)
http://selleckchem.com/products/Vorinostat-saha.html

$$$$
untitled.cdx
csChFnd80/06052515002D

 33 37  0  0  0  0  0  0  0  0999 V2000
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   10.7875    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6272    2.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
  8 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
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 15 10  1  0  0  0  0
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 20  9  1  0  0  0  0
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 32 30  1  0  0  0  0
 23 33  1  0  0  0  0
M  END
>  <Mol_ID> (18)
32

>  <Formula> (18)
C23H28N8OS

>  <MolWeight> (18)
464.58642

>  <Cat> (18)
S1048

>  <Name> (18)
Tozasertib

>  <Synonyms> (18)
VX-680, MK-0457

>  <Target> (18)
Aurora Kinase,Autophagy,Bcr-Abl,FLT3

>  <Form> (18)
free base

>  <CAS> (18)
639089-54-6

>  <URL> (18)
http://selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/06052515002D

 20 19  0  0  0  0  0  0  0  0999 V2000
   10.0971    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (19)
33

>  <Formula> (19)
C14H23Cl2N3O

>  <MolWeight> (19)
320.25792

>  <Cat> (19)
S1049

>  <Name> (19)
Y-27632 2HCl

>  <Synonyms> (19)
N/A

>  <Target> (19)
Autophagy,ROCK

>  <Form> (19)
Dihydrochloride

>  <CAS> (19)
129830-38-2

>  <URL> (19)
http://selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/06052515002D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (20)
34

>  <Formula> (20)
C19H20N4O2S2

>  <MolWeight> (20)
400.5177

>  <Cat> (20)
S1052

>  <Name> (20)
Elesclomol (STA-4783)

>  <Synonyms> (20)
N/A

>  <Target> (20)
Apoptosis related,HSP (HSP90)

>  <Form> (20)
free base

>  <CAS> (20)
488832-69-5

>  <URL> (20)
http://selleckchem.com/products/Elesclomol.html

$$$$
untitled.cdx
csChFnd80/06052515002D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.6742    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3073    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
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M  END
>  <Mol_ID> (21)
35

>  <Formula> (21)
C21H20N4O3

>  <MolWeight> (21)
376.4085

>  <Cat> (21)
S1053

>  <Name> (21)
Entinostat (MS-275)

>  <Synonyms> (21)
SNDX-275

>  <Target> (21)
Apoptosis related,Autophagy,HDAC

>  <Form> (21)
free base

>  <CAS> (21)
209783-80-2

>  <URL> (21)
http://selleckchem.com/products/MS-275.html

$$$$
untitled.cdx
csChFnd80/06052515002D

 39 45  0  0  0  0  0  0  0  0999 V2000
    1.3136    9.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5261    9.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0700    7.2293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8929    8.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0700    9.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 15  2  0  0  0  0
 16 20  2  0  0  0  0
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 23 17  2  0  0  0  0
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 33 34  1  0  0  0  0
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 38 39  2  0  0  0  0
 39 34  1  0  0  0  0
M  END
>  <Mol_ID> (22)
36

>  <Formula> (22)
C32H29N5O2

>  <MolWeight> (22)
515.60496

>  <Cat> (22)
S1055

>  <Name> (22)
Enzastaurin (LY317615)

>  <Synonyms> (22)
N/A

>  <Target> (22)
PKC

>  <Form> (22)
free base

>  <CAS> (22)
170364-57-5

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

$$$$
1.cdx
csChFnd80/06052515002D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  1  0  0  0  0
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 13 15  2  0  0  0  0
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M  END
>  <Mol_ID> (23)
37

>  <Formula> (23)
C21H23N3O4S

>  <MolWeight> (23)
413.49002

>  <Cat> (23)
S1057

>  <Name> (23)
Obatoclax Mesylate (GX15-070)

>  <Synonyms> (23)
N/A

>  <Target> (23)
Autophagy,Bcl-2

>  <Form> (23)
Mesylate

>  <CAS> (23)
803712-79-0

>  <URL> (23)
http://selleckchem.com/products/Obatoclax-Mesylate.html

$$$$
AZD2281.cdx
csChFnd80/06052515002D

 32 36  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  6  1  0  0  0  0
  7 11  2  0  0  0  0
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M  END
>  <Mol_ID> (24)
38

>  <Formula> (24)
C24H23FN4O3

>  <MolWeight> (24)
434.4628232

>  <Cat> (24)
S1060

>  <Name> (24)
Olaparib (AZD2281)

>  <Synonyms> (24)
Ku-0059436

>  <Target> (24)
Autophagy,Mitophagy,PARP

>  <Form> (24)
free base

>  <CAS> (24)
763113-22-0

>  <URL> (24)
http://selleckchem.com/products/AZD2281(Olaparib).html

$$$$
nutlin-3.cdx
csChFnd80/06052515002D

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    2.8084    8.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (25)
39

>  <Formula> (25)
C30H30Cl2N4O4

>  <MolWeight> (25)
581.4896

>  <Cat> (25)
S1061

>  <Name> (25)
Nutlin-3

>  <Synonyms> (25)
N/A

>  <Target> (25)
E3 Ligase ,MDM2/MDMX

>  <Form> (25)
free base

>  <CAS> (25)
890090-75-2

>  <URL> (25)
http://selleckchem.com/products/Nutlin-3.html

$$$$
untitled.cdx
csChFnd80/06052515002D

 35 40  0  0  0  0  0  0  0  0999 V2000
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   12.2847    2.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4972    3.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4972    5.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2847    5.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5376    5.9481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (26)
41

>  <Formula> (26)
C23H27N7O3S2

>  <MolWeight> (26)
513.63558

>  <Cat> (26)
S1065

>  <Name> (26)
Pictilisib (GDC-0941)

>  <Synonyms> (26)
RG7321

>  <Target> (26)
Apoptosis related,Autophagy,PI3K

>  <Form> (26)
free base

>  <CAS> (26)
957054-30-7

>  <URL> (26)
http://selleckchem.com/products/GDC-0941.html

$$$$
untitled.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (27)
42

>  <Formula> (27)
C22H16N4O3

>  <MolWeight> (27)
384.38744

>  <Cat> (27)
S1067

>  <Name> (27)
SB431542

>  <Synonyms> (27)
N/A

>  <Target> (27)
TGF-beta/Smad

>  <Form> (27)
free base

>  <CAS> (27)
301836-41-9

>  <URL> (27)
http://selleckchem.com/products/SB-431542.html

$$$$
NVP-AUY922 .cdx
csChFnd80/06052515002D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (28)
43

>  <Formula> (28)
C26H31N3O5

>  <MolWeight> (28)
465.54144

>  <Cat> (28)
S1069

>  <Name> (28)
Luminespib (NVP-AUY922)

>  <Synonyms> (28)
AUY-922, VER-52296

>  <Target> (28)
Apoptosis related,Autophagy,HSP (HSP90),IGF-1R

>  <Form> (28)
free base

>  <CAS> (28)
747412-49-3

>  <URL> (28)
http://selleckchem.com/products/NVP-AUY922.html

$$$$
1.cdx
csChFnd80/06052515002D

 30 34  0  0  0  0  0  0  0  0999 V2000
    3.6331    6.1529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (29)
44

>  <Formula> (29)
C19H21F2N7O2

>  <MolWeight> (29)
417.4125464

>  <Cat> (29)
S1072

>  <Name> (29)
ZSTK474

>  <Synonyms> (29)
N/A

>  <Target> (29)
PI3K

>  <Form> (29)
free base

>  <CAS> (29)
475110-96-4

>  <URL> (29)
http://selleckchem.com/products/ZSTK474.html

$$$$
1.cdx
csChFnd80/06052515002D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (30)
45

>  <Formula> (30)
C19H12Cl2N2O2

>  <MolWeight> (30)
371.21678

>  <Cat> (30)
S1075

>  <Name> (30)
SB216763

>  <Synonyms> (30)
N/A

>  <Target> (30)
Autophagy,GSK-3

>  <Form> (30)
free base

>  <CAS> (30)
280744-09-4

>  <URL> (30)
http://selleckchem.com/products/SB-216763.html

$$$$

csChFnd80/06052515002D

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M  END
>  <Mol_ID> (31)
48

>  <Formula> (31)
C25H23Cl2N5O

>  <MolWeight> (31)
480.38902

>  <Cat> (31)
S1078

>  <Name> (31)
MK-2206 2HCl

>  <Synonyms> (31)
N/A

>  <Target> (31)
Akt,Apoptosis related,Autophagy

>  <Form> (31)
Dihydrochloride

>  <CAS> (31)
1032350-13-2

>  <URL> (31)
http://selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (32)
49

>  <Formula> (32)
C28H30ClN5O4S

>  <MolWeight> (32)
568.0869

>  <Cat> (32)
S1080

>  <Name> (32)
SU11274

>  <Synonyms> (32)
PKI-SU11274

>  <Target> (32)
Apoptosis related,Autophagy,c-Met

>  <Form> (32)
free base

>  <CAS> (32)
658084-23-2

>  <URL> (32)
http://selleckchem.com/products/SU11274.html

$$$$
untitled.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (33)
50

>  <Formula> (33)
C19H14Cl2N2O3S

>  <MolWeight> (33)
421.29706

>  <Cat> (33)
S1082

>  <Name> (33)
Vismodegib (GDC-0449)

>  <Synonyms> (33)
GDC-0449

>  <Target> (33)
Hedgehog/Smoothened

>  <Form> (33)
free base

>  <CAS> (33)
879085-55-9

>  <URL> (33)
http://selleckchem.com/products/GDC-0449.html

$$$$
untitled.cdx
csChFnd80/06052515002D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (34)
52

>  <Formula> (34)
C15H14N2O4S

>  <MolWeight> (34)
318.34766

>  <Cat> (34)
S1085

>  <Name> (34)
Belinostat (PXD101)

>  <Synonyms> (34)
PXD101,NSC726630, PX-105684

>  <Target> (34)
Autophagy,HDAC

>  <Form> (34)
free base

>  <CAS> (34)
866323-14-0

>  <URL> (34)
http://selleckchem.com/products/Belinostat.html

$$$$
BSI-201.cdx
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M  END
>  <Mol_ID> (35)
53

>  <Formula> (35)
C7H5IN2O3

>  <MolWeight> (35)
292.03067

>  <Cat> (35)
S1087

>  <Name> (35)
Iniparib (BSI-201)

>  <Synonyms> (35)
NSC-746045, IND-71677

>  <Target> (35)
PARP

>  <Form> (35)
free base

>  <CAS> (35)
160003-66-7

>  <URL> (35)
http://selleckchem.com/products/BSI-201.html

$$$$
untitled.cdx
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CRA-024781

>  <Target> (36)
HDAC

>  <Form> (36)
free base

>  <CAS> (36)
783355-60-2

>  <URL> (36)
http://selleckchem.com/products/PCI-24781.html

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KU-55933 (ATM Kinase Inhibitor)

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ATM/ATR,Autophagy,ULK

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free base

>  <CAS> (37)
587871-26-9

>  <URL> (37)
http://selleckchem.com/products/KU-55933.html

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>  <Target> (38)
IGF-1R

>  <Form> (38)
free base

>  <CAS> (38)
1089283-49-7

>  <URL> (38)
http://selleckchem.com/products/GSK1904529A.html

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>  <URL> (39)
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M  END
>  <Mol_ID> (40)
60

>  <Formula> (40)
C19H21FN3O5P

>  <MolWeight> (40)
421.3593042

>  <Cat> (40)
S1098

>  <Name> (40)
Rucaparib (AG-014699) phosphate

>  <Synonyms> (40)
PF-01367338

>  <Target> (40)
PARP

>  <Form> (40)
Phosphate

>  <CAS> (40)
459868-92-9

>  <URL> (40)
http://selleckchem.com/products/AG-014699.html

$$$$
untitled.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (41)
62

>  <Formula> (41)
C20H17Cl3N4

>  <MolWeight> (41)
419.73478

>  <Cat> (41)
S1101

>  <Name> (41)
Vatalanib (PTK787) 2HCl

>  <Synonyms> (41)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (41)
VEGFR

>  <Form> (41)
Dihydrochloride

>  <CAS> (41)
212141-51-0

>  <URL> (41)
http://selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

$$$$
GDC-0879.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (42)
65

>  <Formula> (42)
C19H18N4O2

>  <MolWeight> (42)
334.37182

>  <Cat> (42)
S1104

>  <Name> (42)
GDC-0879

>  <Synonyms> (42)
AR-00341677

>  <Target> (42)
Raf

>  <Form> (42)
free base

>  <CAS> (42)
905281-76-7

>  <URL> (42)
http://selleckchem.com/products/GDC-0879.html

$$$$
untitled.cdx
csChFnd80/06052515002D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (43)
66

>  <Formula> (43)
C19H17NO3

>  <MolWeight> (43)
307.34318

>  <Cat> (43)
S1105

>  <Name> (43)
LY294002

>  <Synonyms> (43)
SF 1101, NSC 697286

>  <Target> (43)
Apoptosis related,Autophagy,Casein Kinase,DNA-PK,PI3K

>  <Form> (43)
free base

>  <CAS> (43)
154447-36-6

>  <URL> (43)
http://selleckchem.com/products/LY294002.html

$$$$
untitled.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (44)
69

>  <Formula> (44)
C26H30N6O3

>  <MolWeight> (44)
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>  <Cat> (44)
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>  <Name> (44)
Danusertib (PHA-739358)

>  <Synonyms> (44)
N/A

>  <Target> (44)
Apoptosis related,Aurora Kinase,Autophagy,Bcr-Abl,c-RET,FGFR,Trk receptor

>  <Form> (44)
free base

>  <CAS> (44)
827318-97-8

>  <URL> (44)
http://selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
untitled.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (45)
70

>  <Formula> (45)
C28H39N7O3

>  <MolWeight> (45)
521.65436

>  <Cat> (45)
S1109

>  <Name> (45)
BI 2536

>  <Synonyms> (45)
N/A

>  <Target> (45)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Myc,PLK

>  <Form> (45)
free base

>  <CAS> (45)
755038-02-9

>  <URL> (45)
http://selleckchem.com/products/BI-2536.html

$$$$
untitled.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (46)
73

>  <Formula> (46)
C19H13F2N7

>  <MolWeight> (46)
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>  <Cat> (46)
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>  <Name> (46)
JNJ-38877605

>  <Synonyms> (46)
N/A

>  <Target> (46)
c-Met

>  <Form> (46)
free base

>  <CAS> (46)
943540-75-8

>  <URL> (46)
http://selleckchem.com/products/JNJ-38877605.html

$$$$
Everolimus.cdx
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M  END
>  <Mol_ID> (47)
74

>  <Formula> (47)
C53H83NO14

>  <MolWeight> (47)
958.22442

>  <Cat> (47)
S1120

>  <Name> (47)
Everolimus (RAD001)

>  <Synonyms> (47)
RAD001,SDZ-RAD, Afinitor

>  <Target> (47)
Apoptosis related,Autophagy,FKBP,mTOR

>  <Form> (47)
free base

>  <CAS> (47)
159351-69-6

>  <URL> (47)
http://selleckchem.com/products/Everolimus(RAD001).html

$$$$
TW 37.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (48)
75

>  <Formula> (48)
C33H35NO6S

>  <MolWeight> (48)
573.6991

>  <Cat> (48)
S1121

>  <Name> (48)
TW-37

>  <Synonyms> (48)
N/A

>  <Target> (48)
Bcl-2

>  <Form> (48)
free base

>  <CAS> (48)
877877-35-5

>  <URL> (48)
http://selleckchem.com/products/TW-37.html

$$$$
726169-73-9.cdx
csChFnd80/06052515002D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (49)
76

>  <Formula> (49)
C23H20N6O

>  <MolWeight> (49)
396.4445

>  <Cat> (49)
S1122

>  <Name> (49)
Mocetinostat (MGCD0103)

>  <Synonyms> (49)
MG0103

>  <Target> (49)
Apoptosis related,Autophagy,HDAC

>  <Form> (49)
free base

>  <CAS> (49)
726169-73-9

>  <URL> (49)
http://selleckchem.com/products/MGCD0103(Mocetinostat).html

$$$$
SRT1720.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (50)
77

>  <Formula> (50)
C25H24ClN7OS

>  <MolWeight> (50)
506.02236

>  <Cat> (50)
S1129

>  <Name> (50)
SRT1720 HCl

>  <Synonyms> (50)
N/A

>  <Target> (50)
Autophagy,Sirtuin

>  <Form> (50)
Hydrochloride

>  <CAS> (50)
1001645-58-4

>  <URL> (50)
http://selleckchem.com/products/SRT1720.html

$$$$
mln8237.cdx
csChFnd80/06052515002D

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    3.6331    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7898    2.0089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1276    2.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6391    3.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9391    4.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5547    5.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285    4.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0391    3.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7391    4.9372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0391    6.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6391    6.1497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2432    6.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9054    6.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8791    5.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1907    4.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5460    6.3824    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7367    7.3579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1367    7.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8367    6.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2367    6.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9367    7.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2367    8.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8367    8.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9343    4.9372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2367    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3318    7.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0294    8.5661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0294    6.1497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 16 10  1  0  0  0  0
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 17 18  2  0  0  0  0
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 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 16  1  0  0  0  0
 23 25  1  0  0  0  0
 19 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  1  0  0  0  0
 30 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
M  END
>  <Mol_ID> (51)
79

>  <Formula> (51)
C27H20ClFN4O4

>  <MolWeight> (51)
518.9235032

>  <Cat> (51)
S1133

>  <Name> (51)
Alisertib (MLN8237)

>  <Synonyms> (51)
N/A

>  <Target> (51)
Apoptosis related,Aurora Kinase,Autophagy

>  <Form> (51)
free base

>  <CAS> (51)
1028486-01-2

>  <URL> (51)
http://selleckchem.com/products/MLN8237.html

$$$$
17-DMAG.cdx
csChFnd80/06052515002D

 45 45  0  0  0  0  0  0  0  0999 V2000
    7.5791   11.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5791   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7957    9.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3666   12.6049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   11.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9418   12.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7293   11.9049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3666    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5791    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5791    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7915    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.3666    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7915    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0039    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2164    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4288    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   14.4503    5.8854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4288    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6412    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8537    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7010    7.0679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3825   10.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3825   11.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1700    9.7587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5169   12.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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 13 19  1  6  0  0  0
 16 20  1  0  0  0  0
 16 21  1  6  0  0  0
 20 22  1  6  0  0  0
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 25 28  1  1  0  0  0
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 27 33  1  1  0  0  0
 32 35  2  0  0  0  0
 35 36  1  0  0  0  0
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 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
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  3 42  2  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 17 18  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (52)
85

>  <Formula> (52)
C32H49ClN4O8

>  <MolWeight> (52)
653.20646

>  <Cat> (52)
S1142

>  <Name> (52)
Alvespimycin (17-DMAG) HCl

>  <Synonyms> (52)
NSC 707545,BMS 826476 HCl,KOS 1022

>  <Target> (52)
HSP (HSP90)

>  <Form> (52)
Hydrochloride

>  <CAS> (52)
467214-21-7

>  <URL> (52)
http://selleckchem.com/products/17-DMAG,Hydrochloride-Salt.html

$$$$
untitled.cdx
csChFnd80/06052515002D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.3342    2.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0683    0.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2934    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3165    0.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7236    2.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3785    3.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4776    4.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866    4.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910    0.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6085    1.7473    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9830    1.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5758    0.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9652    0.3849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2311    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0061    2.4371    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4994    2.3523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5262    0.1555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0628    1.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3311    1.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3043    4.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
M  END
>  <Mol_ID> (53)
88

>  <Formula> (53)
C17H24N4O2S2

>  <MolWeight> (53)
380.52806

>  <Cat> (53)
S1145

>  <Name> (53)
SNS-032 (BMS-387032)

>  <Synonyms> (53)
N/A

>  <Target> (53)
Apoptosis related,CDK

>  <Form> (53)
free base

>  <CAS> (53)
345627-80-7

>  <URL> (53)
http://selleckchem.com/products/SNS-032.html

$$$$
untitled.cdx
csChFnd80/06052515002D

 37 40  0  0  0  0  0  0  0  0999 V2000
    9.6658    9.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8783    6.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.0410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.3957    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.5345    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (54)
89

>  <Formula> (54)
C26H30FN7O3

>  <MolWeight> (54)
507.5599032

>  <Cat> (54)
S1147

>  <Name> (54)
Barasertib (AZD1152-HQPA)

>  <Synonyms> (54)
AZD2811, INH-34, Barasertib-HQPA , Defosbarasertib

>  <Target> (54)
Aurora Kinase

>  <Form> (54)
free base

>  <CAS> (54)
722544-51-6

>  <URL> (54)
http://selleckchem.com/products/AZD1152-HQPA.html

$$$$
Paclitaxel.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (55)
91

>  <Formula> (55)
C47H51NO14

>  <MolWeight> (55)
853.90614

>  <Cat> (55)
S1150

>  <Name> (55)
Paclitaxel (NSC 125973)

>  <Synonyms> (55)
PTX, Taxol, Onxal, Abraxane,NSC 125973

>  <Target> (55)
ADC Cytotoxin,Antineoplastic and Immunosuppressive Antibiotics,Autophagy,Microtubule Associated

>  <Form> (55)
free base

>  <CAS> (55)
33069-62-4

>  <URL> (55)
http://selleckchem.com/products/Paclitaxel(Taxol).html

$$$$
untitled.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (56)
93

>  <Formula> (56)
C19H26N6O

>  <MolWeight> (56)
354.44934

>  <Cat> (56)
S1153

>  <Name> (56)
Roscovitine (CYC202)

>  <Synonyms> (56)
Seliciclib, R-roscovitine

>  <Target> (56)
CDK

>  <Form> (56)
free base

>  <CAS> (56)
186692-46-6

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

$$$$
Capecitabine.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (57)
95

>  <Formula> (57)
C15H22FN3O6

>  <MolWeight> (57)
359.3500832

>  <Cat> (57)
S1156

>  <Name> (57)
Capecitabine?(RO 09-1978)

>  <Synonyms> (57)
RO 09-1978

>  <Target> (57)
Apoptosis related,DNA/RNA Synthesis

>  <Form> (57)
free base

>  <CAS> (57)
154361-50-9

>  <URL> (57)
http://selleckchem.com/products/Capecitabine(Xeloda).html

$$$$
abt-751.cdx
csChFnd80/06052515002D

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ABT-751 (E7010)

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>  <Target> (58)
Microtubule Associated

>  <Form> (58)
free base

>  <CAS> (58)
141430-65-1

>  <URL> (58)
http://selleckchem.com/products/ABT-751.html

$$$$
cyc116.cdx
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100

>  <Formula> (59)
C18H20N6OS

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S1171

>  <Name> (59)
CYC116

>  <Synonyms> (59)
N/A

>  <Target> (59)
Aurora Kinase,VEGFR

>  <Form> (59)
free base

>  <CAS> (59)
693228-63-6

>  <URL> (59)
http://selleckchem.com/products/CYC116.html

$$$$
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>  <Mol_ID> (60)
101

>  <Formula> (60)
C21H20N4

>  <MolWeight> (60)
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>  <Cat> (60)
S1172

>  <Name> (60)
Serdemetan (JNJ-26854165)

>  <Synonyms> (60)
N/A

>  <Target> (60)
E3 Ligase ,p53

>  <Form> (60)
free base

>  <CAS> (60)
881202-45-5

>  <URL> (60)
http://selleckchem.com/products/JNJ-26854165.html

$$$$

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>  <Mol_ID> (61)
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>  <Formula> (61)
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>  <MolWeight> (61)
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>  <Cat> (61)
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>  <Synonyms> (61)
N/A

>  <Target> (61)
EGFR

>  <Form> (61)
free base

>  <CAS> (61)
1213269-23-8

>  <URL> (61)
http://selleckchem.com/products/WZ4002.html

$$$$
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 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
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 13 14  2  0  0  0  0
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 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (62)
103

>  <Formula> (62)
C14H15ClN6O

>  <MolWeight> (62)
318.7615

>  <Cat> (62)
S1175

>  <Name> (62)
BIIB021

>  <Synonyms> (62)
CNF2024

>  <Target> (62)
HSP (HSP90)

>  <Form> (62)
free base

>  <CAS> (62)
848695-25-0

>  <URL> (62)
http://selleckchem.com/products/BIIB021.html

$$$$
NPI2358.cdx
csChFnd80/06052515002D

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   10.9616    2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8984    3.3386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1984    4.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8290    4.2599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2517    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2149    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5785    0.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2885    1.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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 13  8  1  0  0  0  0
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 11 15  2  0  0  0  0
 10 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (63)
104

>  <Formula> (63)
C19H20N4O2

>  <MolWeight> (63)
336.3877

>  <Cat> (63)
S1176

>  <Name> (63)
Plinabulin (NPI-2358)

>  <Synonyms> (63)
N/A

>  <Target> (63)
Microtubule Associated,VDA

>  <Form> (63)
free base

>  <CAS> (63)
714272-27-2

>  <URL> (63)
http://selleckchem.com/products/NPI-2358.html

$$$$
XAV-939.cdx
csChFnd80/06052515002D

 21 23  0  0  0  0  0  0  0  0999 V2000
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   10.4903    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4903    1.0249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 13 17  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (64)
108

>  <Formula> (64)
C14H11F3N2OS

>  <MolWeight> (64)
312.3101496

>  <Cat> (64)
S1180

>  <Name> (64)
XAV-939

>  <Synonyms> (64)
NVP-XAV939

>  <Target> (64)
PARP,Wnt/beta-catenin

>  <Form> (64)
free base

>  <CAS> (64)
284028-89-3

>  <URL> (64)
http://selleckchem.com/products/XAV-939.html

$$$$
ENMD-2076.cdx
csChFnd80/06052515002D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  1  6  2  0  0  0  0
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 10 11  1  0  0  0  0
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 16 20  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 22 27  1  0  0  0  0
 25 28  1  0  0  0  0
  5 22  1  0  0  0  0
M  END
>  <Mol_ID> (65)
109

>  <Formula> (65)
C21H25N7

>  <MolWeight> (65)
375.4701

>  <Cat> (65)
S1181

>  <Name> (65)
ENMD-2076

>  <Synonyms> (65)
N/A

>  <Target> (65)
Apoptosis related,Aurora Kinase,CSF-1R,FGFR,FLT3,PDGFR,Src,VEGFR

>  <Form> (65)
Tartaric Acid

>  <CAS> (65)
934353-76-1

>  <URL> (65)
http://selleckchem.com/products/enmd-2076.html

$$$$
BIBR1532.cdx
csChFnd80/06052515002D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 23 24  2  0  0  0  0
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M  END
>  <Mol_ID> (66)
112

>  <Formula> (66)
C21H17NO3

>  <MolWeight> (66)
331.36458

>  <Cat> (66)
S1186

>  <Name> (66)
BIBR 1532

>  <Synonyms> (66)
N/A

>  <Target> (66)
Apoptosis related,Telomerase

>  <Form> (66)
free base

>  <CAS> (66)
321674-73-1

>  <URL> (66)
http://selleckchem.com/products/BIBR1532.html

$$$$
Aprepitant.cdx
csChFnd80/06052515002D

 37 40  0  0  0  0  0  0  0  0999 V2000
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    6.7622    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
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 22 23  1  1  0  0  0
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 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
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 34 35  1  0  0  0  0
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 26 34  1  0  0  0  0
 22 24  1  0  0  0  0
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  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (67)
114

>  <Formula> (67)
C23H21F7N4O3

>  <MolWeight> (67)
534.4266624

>  <Cat> (67)
S1189

>  <Name> (67)
Aprepitant (MK-0869)

>  <Synonyms> (67)
MK-0869, L-754030, Emend

>  <Target> (67)
CSF-1R,HIV,Interleukins,Neurokinin Receptor,TNF-alpha

>  <Form> (67)
free base

>  <CAS> (67)
170729-80-3

>  <URL> (67)
http://selleckchem.com/products/Aprepitant.html

$$$$
S119401 CUDC-101.cdx
csChFnd80/06052515002D

 32 34  0  0  0  0  0  0  0  0999 V2000
   14.5113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1487    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9362    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7818    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8782    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0453    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  6 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
 14 18  1  0  0  0  0
 18 19  3  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (68)
118

>  <Formula> (68)
C24H26N4O4

>  <MolWeight> (68)
434.48764

>  <Cat> (68)
S1194

>  <Name> (68)
CUDC-101

>  <Synonyms> (68)
N/A

>  <Target> (68)
EGFR,HDAC,HER2

>  <Form> (68)
free base

>  <CAS> (68)
1012054-59-9

>  <URL> (68)
http://selleckchem.com/products/CUDC-101.html

$$$$
Exemestane.cdx
csChFnd80/06052515002D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6061    3.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6061    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    7.3641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
  3 18  1  0  0  0  0
  5 18  1  0  0  0  0
 18 19  1  1  0  0  0
  1 20  2  0  0  0  0
 12 21  2  0  0  0  0
  6 22  2  0  0  0  0
 17 23  1  6  0  0  0
  8 24  1  1  0  0  0
  9 25  1  6  0  0  0
M  END
>  <Mol_ID> (69)
119

>  <Formula> (69)
C20H24O2

>  <MolWeight> (69)
296.40336

>  <Cat> (69)
S1196

>  <Name> (69)
Exemestane (FCE 24304)

>  <Synonyms> (69)
Aromasin,FCE24304, PNU155971,EXE

>  <Target> (69)
Aromatase

>  <Form> (69)
free base

>  <CAS> (69)
107868-30-4

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

$$$$
Cladribine.cdx
csChFnd80/06052515002D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7117    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6735    1.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.7109    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0382    1.5690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0281    0.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2755    1.2147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0565    2.5974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.0430    3.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    3.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
  6 11  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 12  1  0  0  0  0
 15 17  1  6  0  0  0
 17 18  1  0  0  0  0
 14 19  1  1  0  0  0
 12  9  1  6  0  0  0
M  END
>  <Mol_ID> (70)
120

>  <Formula> (70)
C10H12ClN5O3

>  <MolWeight> (70)
285.68698

>  <Cat> (70)
S1199

>  <Name> (70)
Cladribine (RWJ 26251)

>  <Synonyms> (70)
Leustatin,2-CdA,2-Chloro-2¡ä-deoxyadenosine,CldAdo,Jk 6251,NSC 105014,RWJ 26251

>  <Target> (70)
Adenosine Deaminase,DNA/RNA Synthesis

>  <Form> (70)
free base

>  <CAS> (70)
4291-63-8

>  <URL> (70)
http://selleckchem.com/products/Cladribine.html

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/06052515002D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2124    3.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8601    3.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    2.4356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9786    1.3476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2856    1.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    2.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6175    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2966    4.1254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6036    3.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6916    4.5047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4726    5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1656    6.3892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0776    5.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751    6.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5568    6.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  1  1  0  0  0
  6  7  1  0  0  0  0
  4  8  1  6  0  0  0
  1  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (71)
121

>  <Formula> (71)
C8H12N4O4

>  <MolWeight> (71)
228.20528

>  <Cat> (71)
S1200

>  <Name> (71)
Decitabine (NSC 127716)

>  <Synonyms> (71)
Deoxycytidine, Dacogen, 5-aza-2'-deoxycytidine, 5-AZA-dC, 5-aza-CdR,NSC 127716

>  <Target> (71)
Apoptosis related,DNA Methyltransferase,Nucleoside Analog/Antimetabolite

>  <Form> (71)
free base

>  <CAS> (71)
2353-33-5

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

$$$$
AV-951.cdx
csChFnd80/06052515002D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.3854    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0854    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4854    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4854    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0854    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    3.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1830    4.8371    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.5806    2.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2781    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5806    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6733    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3288    4.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1927    2.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    3.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 14  2  0  0  0  0
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  8 20  2  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (72)
123

>  <Formula> (72)
C22H19ClN4O5

>  <MolWeight> (72)
454.86306

>  <Cat> (72)
S1207

>  <Name> (72)
Tivozanib (AV-951)

>  <Synonyms> (72)
KRN-951

>  <Target> (72)
c-Kit,PDGFR,VEGFR

>  <Form> (72)
free base

>  <CAS> (72)
475108-18-0

>  <URL> (72)
http://selleckchem.com/products/AV-951.html

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (73)
124

>  <Formula> (73)
C27H30ClNO11

>  <MolWeight> (73)
579.9802

>  <Cat> (73)
S1208

>  <Name> (73)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (73)
NSC 123127, DOX, Doxorubicin hydrochloride, Hydroxydaunorubicin HCl,Adriamycin HCl

>  <Target> (73)
ADC Cytotoxin,AMPK,Antibiotics,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,HIV,Mitophagy,Topoisomerase

>  <Form> (73)
Hydrochloride

>  <CAS> (73)
25316-40-9

>  <URL> (73)
http://selleckchem.com/products/Adriamycin.html

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/06052515002D

  9  9  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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  3  8  2  0  0  0  0
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M  END
>  <Mol_ID> (74)
125

>  <Formula> (74)
C4H3FN2O2

>  <MolWeight> (74)
130.0772232

>  <Cat> (74)
S1209

>  <Name> (74)
Fluorouracil (5-Fluorouracil, 5-FU)

>  <Synonyms> (74)
NSC 19893,5-Fluorouracil, 5-FU

>  <Target> (74)
Apoptosis related,DNA/RNA Synthesis,HIV,Nucleoside Analog/Antimetabolite,Thymidylate Synthase

>  <Form> (74)
free base

>  <CAS> (74)
51-21-8

>  <URL> (74)
http://selleckchem.com/products/Adrucil(Fluorouracil).html

$$$$
Abitrexate (Methotrexate).cdx
csChFnd80/06052515002D

 33 35  0  0  0  0  0  0  0  0999 V2000
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 28  2  0  0  0  0
 24 29  1  6  0  0  0
 27 30  2  0  0  0  0
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 29 32  2  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <Mol_ID> (75)
126

>  <Formula> (75)
C20H22N8O5

>  <MolWeight> (75)
454.43928

>  <Cat> (75)
S1210

>  <Name> (75)
Methotrexate (CL-14377)

>  <Synonyms> (75)
NCI-C04671, Amethopterin, CL14377, WR19039, abitrexate

>  <Target> (75)
ADC Cytotoxin,DHFR

>  <Form> (75)
free base

>  <CAS> (75)
59-05-2

>  <URL> (75)
http://selleckchem.com/products/Abitrexate.html

$$$$
Clofarabine.cdx
csChFnd80/06052515002D

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    0.0000    4.6540    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.5921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5728    2.4595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (76)
129

>  <Formula> (76)
C10H11ClFN5O3

>  <MolWeight> (76)
303.6774432

>  <Cat> (76)
S1218

>  <Name> (76)
Clofarabine

>  <Synonyms> (76)
Clolar

>  <Target> (76)
Apoptosis related,Autophagy,DNA/RNA Synthesis,RNR

>  <Form> (76)
free base

>  <CAS> (76)
123318-82-1

>  <URL> (76)
http://selleckchem.com/products/Clofarabine.html

$$$$
OSI-930.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (77)
130

>  <Formula> (77)
C22H16F3N3O2S

>  <MolWeight> (77)
443.4415496

>  <Cat> (77)
S1220

>  <Name> (77)
OSI-930

>  <Synonyms> (77)
N/A

>  <Target> (77)
c-Kit,CSF-1R,VEGFR

>  <Form> (77)
free base

>  <CAS> (77)
728033-96-3

>  <URL> (77)
http://selleckchem.com/products/OSI-930.html

$$$$
Etoposide.cdx
csChFnd80/06052515002D

 47 53  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (78)
133

>  <Formula> (78)
C29H32O13

>  <MolWeight> (78)
588.55658

>  <Cat> (78)
S1225

>  <Name> (78)
Etoposide?(VP-16)

>  <Synonyms> (78)
VP-16213,Vepesid,VP-16

>  <Target> (78)
Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,Mitophagy,Topoisomerase

>  <Form> (78)
free base

>  <CAS> (78)
33419-42-0

>  <URL> (78)
http://selleckchem.com/products/Etopophos.html

$$$$
KU-0063794.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (79)
134

>  <Formula> (79)
C25H31N5O4

>  <MolWeight> (79)
465.54474

>  <Cat> (79)
S1226

>  <Name> (79)
KU-0063794

>  <Synonyms> (79)
N/A

>  <Target> (79)
mTOR

>  <Form> (79)
free base

>  <CAS> (79)
938440-64-3

>  <URL> (79)
http://selleckchem.com/products/KU-0063794.html

$$$$
Evista (Raloxifene Hydrochloride).cdx
csChFnd80/06052515002D

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   10.6535    4.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3352    3.9954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9594    1.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9494    0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3017    1.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6640    2.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6741    3.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2403    1.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9851    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  9  5  1  0  0  0  0
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 12 13  1  0  0  0  0
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 23 11  1  0  0  0  0
 21 24  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 12 34  2  0  0  0  0
M  END
>  <Mol_ID> (80)
135

>  <Formula> (80)
C28H28ClNO4S

>  <MolWeight> (80)
510.04422

>  <Cat> (80)
S1227

>  <Name> (80)
Raloxifene HCl

>  <Synonyms> (80)
LY156758 (Keoxifene) HCl

>  <Target> (80)
Estrogen/progestogen Receptor

>  <Form> (80)
Hydrochloride

>  <CAS> (80)
82640-04-8

>  <URL> (80)
http://selleckchem.com/products/Evista.html

$$$$
Topotecan.cdx
csChFnd80/06052515002D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    5.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    7.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    5.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2123    6.2401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    7.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9589    3.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3512    3.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1741    4.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6047    6.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.7328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4247    7.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3130    2.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8804    0.9824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2830    1.0509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  2  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  9  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 17 12  1  0  0  0  0
  6 18  1  0  0  0  0
 18 19  1  0  0  0  0
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  1 22  1  0  0  0  0
 17 23  2  0  0  0  0
 15 24  1  0  0  0  0
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 27 16  1  0  0  0  0
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 24 29  1  6  0  0  0
 29 30  1  0  0  0  0
 24 31  1  1  0  0  0
M  END
>  <Mol_ID> (81)
137

>  <Formula> (81)
C23H24ClN3O5

>  <MolWeight> (81)
457.90676

>  <Cat> (81)
S1231

>  <Name> (81)
Topotecan (NSC609699) HCl

>  <Synonyms> (81)
Nogitecan HCl, SKFS 104864A,Hycamtin, NSC 609699

>  <Target> (81)
Apoptosis related,Autophagy,Topoisomerase

>  <Form> (81)
Hydrochloride

>  <CAS> (81)
119413-54-6

>  <URL> (81)
http://selleckchem.com/products/Topotecan-Hydrochloride.html

$$$$
2-Methoxyestradiol.cdx
csChFnd80/06052515002D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4786    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8410    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5101    5.8451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.4000    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 20  1  0  0  0  0
 10 21  1  6  0  0  0
  9 22  1  1  0  0  0
 12 23  1  1  0  0  0
 17 24  1  1  0  0  0
 11 25  1  6  0  0  0
M  END
>  <Mol_ID> (82)
138

>  <Formula> (82)
C19H26O3

>  <MolWeight> (82)
302.40794

>  <Cat> (82)
S1233

>  <Name> (82)
2-Methoxyestradiol (2-MeOE2)

>  <Synonyms> (82)
NSC 659853, 2-ME2

>  <Target> (82)
Apoptosis related,Autophagy,HIF,Microtubule Associated

>  <Form> (82)
free base

>  <CAS> (82)
362-07-2

>  <URL> (82)
http://selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/06052515002D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    3.4963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    4.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (83)
140

>  <Formula> (83)
C6H6N6O2

>  <MolWeight> (83)
194.15084

>  <Cat> (83)
S1237

>  <Name> (83)
Temozolomide (CCRG 81045)

>  <Synonyms> (83)
NSC 362856,TMZ,CCRG 81045,Methazolastone,Temodar,Temodal

>  <Target> (83)
Apoptosis related,Autophagy,DNA/RNA Synthesis

>  <Form> (83)
free base

>  <CAS> (83)
85622-93-1

>  <URL> (83)
http://selleckchem.com/products/Methazolastone.html

$$$$
MP-470.cdx
csChFnd80/06052515002D

 32 37  0  0  0  0  0  0  0  0999 V2000
    0.4326   11.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    8.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    9.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388   10.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020   11.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    8.3144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    9.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388   10.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9408    8.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8776    9.8866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2372    4.8564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6683    3.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7348    2.4928    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    3.2395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4641    1.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8288    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2614    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6308    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5676    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1350    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7655    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9676    1.0404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4002    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2676    3.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
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M  END
>  <Mol_ID> (84)
142

>  <Formula> (84)
C23H21N5O3S

>  <MolWeight> (84)
447.50954

>  <Cat> (84)
S1244

>  <Name> (84)
Amuvatinib (MP-470)

>  <Synonyms> (84)
HPK 56

>  <Target> (84)
Apoptosis related,c-Kit,c-Met,c-RET,FLT3,PDGFR,RAD51

>  <Form> (84)
free base

>  <CAS> (84)
850879-09-3

>  <URL> (84)
http://selleckchem.com/products/MP-470.html

$$$$
JNJ-7706621.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (85)
144

>  <Formula> (85)
C15H12F2N6O3S

>  <MolWeight> (85)
394.3559864

>  <Cat> (85)
S1249

>  <Name> (85)
JNJ-7706621

>  <Synonyms> (85)
N/A

>  <Target> (85)
Aurora Kinase,CDK

>  <Form> (85)
free base

>  <CAS> (85)
443797-96-4

>  <URL> (85)
http://selleckchem.com/products/JNJ-7706621.html

$$$$
Celecoxib.cdx
csChFnd80/06052515002D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (86)
153

>  <Formula> (86)
C17H14F3N3O2S

>  <MolWeight> (86)
381.3721696

>  <Cat> (86)
S1261

>  <Name> (86)
Celecoxib?(SC 58635)

>  <Synonyms> (86)
Celebrex, Celebra,SC 58635

>  <Target> (86)
COX

>  <Form> (86)
free base

>  <CAS> (86)
169590-42-5

>  <URL> (86)
http://selleckchem.com/products/Celecoxib.html

$$$$
PD173074.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (87)
155

>  <Formula> (87)
C28H41N7O3

>  <MolWeight> (87)
523.67024

>  <Cat> (87)
S1264

>  <Name> (87)
PD173074

>  <Synonyms> (87)
N/A

>  <Target> (87)
Apoptosis related,FGFR,VEGFR

>  <Form> (87)
free base

>  <CAS> (87)
219580-11-7

>  <URL> (87)
http://selleckchem.com/products/PD-173074.html

$$$$
WYE-354.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (88)
156

>  <Formula> (88)
C24H29N7O5

>  <MolWeight> (88)
495.53096

>  <Cat> (88)
S1266

>  <Name> (88)
WYE-354

>  <Synonyms> (88)
N/A

>  <Target> (88)
mTOR

>  <Form> (88)
free base

>  <CAS> (88)
1062169-56-5

>  <URL> (88)
http://selleckchem.com/products/WYE-354.html

$$$$
PLX-4032.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (89)
157

>  <Formula> (89)
C23H18ClF2N3O3S

>  <MolWeight> (89)
489.9221264

>  <Cat> (89)
S1267

>  <Name> (89)
Vemurafenib (PLX4032)

>  <Synonyms> (89)
RG7204, RO5185426,PLX4032

>  <Target> (89)
Autophagy,Raf

>  <Form> (89)
free base

>  <CAS> (89)
918504-65-1

>  <URL> (89)
http://selleckchem.com/products/PLX-4032.html

$$$$
Altretamine.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (90)
159

>  <Formula> (90)
C9H18N6

>  <MolWeight> (90)
210.27942

>  <Cat> (90)
S1278

>  <Name> (90)
Altretamine

>  <Synonyms> (90)
Hexamethylmelamine, NSC13875, ENT50852

>  <Target> (90)
DNA alkylator

>  <Form> (90)
free base

>  <CAS> (90)
645-05-6

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

$$$$
Anagrelide hydrochloride.cdx
csChFnd80/06052515002D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (91)
174

>  <Formula> (91)
C10H8Cl3N3O

>  <MolWeight> (91)
292.54902

>  <Cat> (91)
S3172

>  <Name> (91)
Anagrelide HCl

>  <Synonyms> (91)
BL-4162A,BMY 26538-01

>  <Target> (91)
PDE

>  <Form> (91)
Hydrochloride

>  <CAS> (91)
58579-51-4

>  <URL> (91)
http://selleckchem.com/products/anagrelide-hydrochloride.html

$$$$
Flutamide .cdx
csChFnd80/06052515002D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (92)
190

>  <Formula> (92)
C11H11F3N2O3

>  <MolWeight> (92)
276.2118496

>  <Cat> (92)
S1908

>  <Name> (92)
Flutamide

>  <Synonyms> (92)
SCH-13521

>  <Target> (92)
Androgen Receptor

>  <Form> (92)
free base

>  <CAS> (92)
13311-84-7

>  <URL> (92)
http://selleckchem.com/products/Flutamide(Eulexin).html

$$$$
FLUVASTATIN SODIUM.cdx
csChFnd80/06052515002D

 31 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (93)
191

>  <Formula> (93)
C24H25FNNaO4

>  <MolWeight> (93)
433.4477732

>  <Cat> (93)
S1909

>  <Name> (93)
Fluvastatin (XU-62-320) Sodium

>  <Synonyms> (93)
Vastin,XU-62-320

>  <Target> (93)
HMG-CoA Reductase

>  <Form> (93)
Sodium

>  <CAS> (93)
93957-55-2

>  <URL> (93)
http://selleckchem.com/products/Fluvastatin-Sodium(Lescol).html

$$$$
Megestrol Acetate.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (94)
207

>  <Formula> (94)
C24H32O4

>  <MolWeight> (94)
384.50848

>  <Cat> (94)
S1304

>  <Name> (94)
Megestrol Acetate

>  <Synonyms> (94)
BDH1298, SC10363

>  <Target> (94)
Androgen Receptor,Estrogen/progestogen Receptor

>  <Form> (94)
free base

>  <CAS> (94)
595-33-5

>  <URL> (94)
http://selleckchem.com/products/Megestrol-Acetate.html

$$$$
Dexamethasone.cdx
csChFnd80/06052515002D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (95)
212

>  <Formula> (95)
C22H29FO5

>  <MolWeight> (95)
392.4610632

>  <Cat> (95)
S1322

>  <Name> (95)
Dexamethasone (MK-125)

>  <Synonyms> (95)
NSC 34521, Hexadecadrol, Prednisolone F,MK-125

>  <Target> (95)
Autophagy,Complement System,COVID-19,Glucocorticoid Receptor,IL Receptor,Mitophagy

>  <Form> (95)
free base

>  <CAS> (95)
50-02-2

>  <URL> (95)
http://selleckchem.com/products/Dexamethasone.html

$$$$
S1130.cdx
csChFnd80/06052515002D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (96)
251

>  <Formula> (96)
C20H19BrN4O3

>  <MolWeight> (96)
443.29386

>  <Cat> (96)
S1130

>  <Name> (96)
Sepantronium Bromide

>  <Synonyms> (96)
YM155

>  <Target> (96)
Autophagy,IAP,Survivin

>  <Form> (96)
Bromide

>  <CAS> (96)
781661-94-7

>  <URL> (96)
http://selleckchem.com/products/YM155.html

$$$$
Zileuton.cdx
csChFnd80/06052515002D

 16 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (97)
271

>  <Formula> (97)
C11H12N2O2S

>  <MolWeight> (97)
236.29018

>  <Cat> (97)
S1443

>  <Name> (97)
Zileuton (A-64077)

>  <Synonyms> (97)
A-64077, Abbott 64077, ZYFLO

>  <Target> (97)
Apoptosis related,Ferroptosis,Lipoxygenase

>  <Form> (97)
free base

>  <CAS> (97)
111406-87-2

>  <URL> (97)
http://selleckchem.com/products/Zileuton.html

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (98)
275

>  <Formula> (98)
C30H33ClN4O2

>  <MolWeight> (98)
517.06162

>  <Cat> (98)
S1452

>  <Name> (98)
Ispinesib (SB-715992)

>  <Synonyms> (98)
CK0238273

>  <Target> (98)
Apoptosis related,Kinesin

>  <Form> (98)
free base

>  <CAS> (98)
336113-53-2

>  <URL> (98)
http://selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

$$$$
Tipifarnib.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (99)
276

>  <Formula> (99)
C27H22Cl2N4O

>  <MolWeight> (99)
489.39578

>  <Cat> (99)
S1453

>  <Name> (99)
Tipifarnib (R115777)

>  <Synonyms> (99)
IND 58359

>  <Target> (99)
FTase,Transferase

>  <Form> (99)
free base

>  <CAS> (99)
192185-72-1

>  <URL> (99)
http://selleckchem.com/products/Tipifarnib(R115777).html

$$$$
untitled.cdx
csChFnd80/06052515002D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (100)
279

>  <Formula> (100)
C19H16N6O4S

>  <MolWeight> (100)
424.43314

>  <Cat> (100)
S1456

>  <Name> (100)
Zibotentan (ZD4054)

>  <Synonyms> (100)
N/A

>  <Target> (100)
Endothelin Receptor

>  <Form> (100)
free base

>  <CAS> (100)
186497-07-4

>  <URL> (100)
http://selleckchem.com/products/Zibotentan(ZD4054).html

$$$$
Doxercalciferol.cdx
csChFnd80/06052515002D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (101)
283

>  <Formula> (101)
C28H44O2

>  <MolWeight> (101)
412.64776

>  <Cat> (101)
S1467

>  <Name> (101)
Doxercalciferol

>  <Synonyms> (101)
1¦Á-hydroxyvitamin D2

>  <Target> (101)
Vitamin

>  <Form> (101)
free base

>  <CAS> (101)
54573-75-0

>  <URL> (101)
http://selleckchem.com/products/Doxercalciferol(Hectorol).html

$$$$
SB525334.cdx
csChFnd80/06052515002D

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N/A

>  <Target> (102)
TGF-beta/Smad

>  <Form> (102)
free base

>  <CAS> (102)
356559-20-1

>  <URL> (102)
http://selleckchem.com/products/SB-525334.html

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298

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AEE788 (NVP-AEE788)

>  <Synonyms> (103)
N/A

>  <Target> (103)
EGFR,HER2,VEGFR

>  <Form> (103)
free base

>  <CAS> (103)
497839-62-0

>  <URL> (103)
http://selleckchem.com/products/AEE788.html

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>  <Mol_ID> (104)
299

>  <Formula> (104)
C19H31N5O2

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361.48174

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S1487

>  <Name> (104)
PHA-793887

>  <Synonyms> (104)
N/A

>  <Target> (104)
Apoptosis related,CDK

>  <Form> (104)
free base

>  <CAS> (104)
718630-59-2

>  <URL> (104)
http://selleckchem.com/products/PHA-793887.html

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>  <Mol_ID> (105)
301

>  <Formula> (105)
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>  <MolWeight> (105)
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>  <Cat> (105)
S1489

>  <Name> (105)
PIK-93

>  <Synonyms> (105)
N/A

>  <Target> (105)
PI4K

>  <Form> (105)
free base

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

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

$$$$
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   17.4209    6.5164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0522    6.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1130    5.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3569    7.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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  7 10  1  0  0  0  0
 10 11  3  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 16 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
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 24 28  1  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (106)
302

>  <Formula> (106)
C29H27F3N6O

>  <MolWeight> (106)
532.5594896

>  <Cat> (106)
S1490

>  <Name> (106)
Ponatinib (AP24534)

>  <Synonyms> (106)
AP24534

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

>  <Form> (106)
free base

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

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

$$$$
CELLCEPT (mycophenolate mofetil).cdx
csChFnd80/06052515002D

 31 33  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918    5.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4206    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8370    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0453    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2535    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4617    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6699    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8824    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0948    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0948    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8824    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12  5  1  0  0  0  0
  7 13  2  0  0  0  0
  3 14  1  0  0  0  0
  6 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (107)
305

>  <Formula> (107)
C23H31NO7

>  <MolWeight> (107)
433.49474

>  <Cat> (107)
S1501

>  <Name> (107)
Mycophenolate mofetil (RS-61443)

>  <Synonyms> (107)
Mycophenolic acid morpholinoethyl ester, CellCept, RS 61443, TM-MMF

>  <Target> (107)
Apoptosis related,Dehydrogenase

>  <Form> (107)
free base

>  <CAS> (107)
128794-94-5

>  <URL> (107)
http://selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

$$$$
SB 939.cdx
csChFnd80/06052515002D

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.0622    7.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    5.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    5.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    7.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    7.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8316    5.3259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6574    6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8316    7.5991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.1649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.2649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2642    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6336    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0663    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4357    2.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1295    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3724    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0574    6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7574    7.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1574    7.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8574    8.8874    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
  1 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (108)
310

>  <Formula> (108)
C20H30N4O2

>  <MolWeight> (108)
358.4778

>  <Cat> (108)
S1515

>  <Name> (108)
Pracinostat (SB939)

>  <Synonyms> (108)
N/A

>  <Target> (108)
Apoptosis related,HDAC

>  <Form> (108)
free base

>  <CAS> (108)
929016-96-6

>  <URL> (108)
http://selleckchem.com/products/SB939.html

$$$$
MK-1775.cdx
csChFnd80/06052515002D

 37 41  0  0  0  0  0  0  0  0999 V2000
    5.7278    7.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7379    6.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1002    5.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4525    4.9274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4425    5.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0801    7.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7901    5.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1137    4.3032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7309    4.5222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954    3.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2410    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2410    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0285    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8161    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4492    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6616    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8741    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8741    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6616    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4492    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0823    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  7  9  1  0  0  0  0
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 12 13  1  0  0  0  0
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 15 11  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 13 23  2  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (109)
314

>  <Formula> (109)
C27H32N8O2

>  <MolWeight> (109)
500.59538

>  <Cat> (109)
S1525

>  <Name> (109)
Adavosertib (MK-1775)

>  <Synonyms> (109)
AZD1775

>  <Target> (109)
Wee1

>  <Form> (109)
free base

>  <CAS> (109)
955365-80-7

>  <URL> (109)
http://selleckchem.com/products/MK-1775.html

$$$$
AC220.cdx
csChFnd80/06052515002D

 40 45  0  0  0  0  0  0  0  0999 V2000
    8.3036    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5219    3.5596    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.6682    4.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3892    5.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6581    5.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2958    7.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0492    5.4803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6868    6.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3345    7.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  5 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
 26 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 27  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
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M  END
>  <Mol_ID> (110)
315

>  <Formula> (110)
C29H32N6O4S

>  <MolWeight> (110)
560.66718

>  <Cat> (110)
S1526

>  <Name> (110)
Quizartinib (AC220)

>  <Synonyms> (110)
N/A

>  <Target> (110)
Apoptosis related,FLT3,Target Protein Ligand

>  <Form> (110)
free base

>  <CAS> (110)
950769-58-1

>  <URL> (110)
http://selleckchem.com/products/AC-220.html

$$$$
AZD7762.cdx
csChFnd80/06052515002D

 25 27  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 F   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2646    4.2514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
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 12  8  2  0  0  0  0
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 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
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 20 18  1  1  0  0  0
M  END
>  <Mol_ID> (111)
324

>  <Formula> (111)
C17H19FN4O2S

>  <MolWeight> (111)
362.4217632

>  <Cat> (111)
S1532

>  <Name> (111)
AZD7762

>  <Synonyms> (111)
N/A

>  <Target> (111)
Chk

>  <Form> (111)
free base

>  <CAS> (111)
860352-01-8

>  <URL> (111)
http://selleckchem.com/products/AZD7762.html

$$$$
R406 free base.cdx
csChFnd80/06052515002D

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7448    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9573    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9573    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7448    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1655    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3196    3.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1655    0.0049    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
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 18  1  0  0  0  0
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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
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 27 22  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 25  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 29 34  2  0  0  0  0
M  END
>  <Mol_ID> (112)
325

>  <Formula> (112)
C22H23FN6O5

>  <MolWeight> (112)
470.4536232

>  <Cat> (112)
S1533

>  <Name> (112)
R406 (free base)

>  <Synonyms> (112)
N/A

>  <Target> (112)
Apoptosis related,FLT3,Syk

>  <Form> (112)
free base

>  <CAS> (112)
841290-80-0

>  <URL> (112)
http://selleckchem.com/products/R406(free-base).html

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/06052515002D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  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
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  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
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 23 18  1  0  0  0  0
 18  1  1  1  0  0  0
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 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (113)
328

>  <Formula> (113)
C21H25ClO6

>  <MolWeight> (113)
408.8726

>  <Cat> (113)
S1548

>  <Name> (113)
Dapagliflozin (BMS-512148)

>  <Synonyms> (113)
BMS-512148

>  <Target> (113)
SGLT

>  <Form> (113)
free base

>  <CAS> (113)
461432-26-8

>  <URL> (113)
http://selleckchem.com/products/Dapagliflozin.html

$$$$
AZD 8055.cdx
csChFnd80/06052515002D

 34 38  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Form> (114)
free base

>  <CAS> (114)
1009298-09-2

>  <URL> (114)
http://selleckchem.com/products/AZD8055.html

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SEN0014196

>  <Target> (115)
Sirtuin

>  <Form> (115)
free base

>  <CAS> (115)
49843-98-3

>  <URL> (115)
http://selleckchem.com/products/EX-527.html

$$$$
BMS777607.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (116)
339

>  <Formula> (116)
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>  <Target> (116)
Axl,c-Met,RON,Tyro3

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free base

>  <CAS> (116)
1025720-94-8

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

$$$$
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ATM/ATR

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>  <URL> (117)
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 33 28  1  0  0  0  0
 14 34  1  0  0  0  0
 34 35  1  0  0  0  0
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 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (118)
347

>  <Formula> (118)
C31H37N5O3

>  <MolWeight> (118)
527.65718

>  <Cat> (118)
S1574

>  <Name> (118)
Doramapimod (BIRB 796)

>  <Synonyms> (118)
N/A

>  <Target> (118)
JNK,p38 MAPK,Raf,Src

>  <Form> (118)
free base

>  <CAS> (118)
285983-48-4

>  <URL> (118)
http://selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/06052515002D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1375    7.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7282    2.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1282    2.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2233    3.4976    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   16.9209    2.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (119)
348

>  <Formula> (119)
C26H21N3O2S

>  <MolWeight> (119)
439.52884

>  <Cat> (119)
S1577

>  <Name> (119)
Tie2 kinase inhibitor

>  <Synonyms> (119)
N/A

>  <Target> (119)
Tie-2

>  <Form> (119)
free base

>  <CAS> (119)
948557-43-5

>  <URL> (119)
http://selleckchem.com/products/Tie2-kinase-inhibitor.html

$$$$

csChFnd80/06052515002D

 38 41  0  0  0  0  0  0  0  0999 V2000
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 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (120)
354

>  <Formula> (120)
C27H30Cl2F2N6O

>  <MolWeight> (120)
563.4695064

>  <Cat> (120)
S2686

>  <Name> (120)
NVP-BSK805 2HCl

>  <Synonyms> (120)
BSK805

>  <Target> (120)
JAK

>  <Form> (120)
HCl

>  <CAS> (120)
1092499-93-8 (free base)

>  <URL> (120)
http://selleckchem.com/products/nvp-bsk805.html

$$$$
MIFEPREX (mifepristone).cdx
csChFnd80/06052515002D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    0.0000    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  2  0  0  0  0
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  9 33  1  1  0  0  0
 11 34  1  6  0  0  0
M  END
>  <Mol_ID> (121)
362

>  <Formula> (121)
C29H35NO2

>  <MolWeight> (121)
429.5937

>  <Cat> (121)
S2606

>  <Name> (121)
Mifepristone (RU486)

>  <Synonyms> (121)
RU486, C-1073, RU 38486, RU-486, Mifegyne

>  <Target> (121)
Apoptosis related,Autophagy,Bcl-2,Estrogen/progestogen Receptor,Glucocorticoid Receptor

>  <Form> (121)
free base

>  <CAS> (121)
84371-65-3

>  <URL> (121)
http://selleckchem.com/products/Mifepristone(Mifeprex).html

$$$$
EZETIMIBE (ezetimibe).cdx
csChFnd80/06052515002D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1049    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.2000    0.0000 C   0  0  1  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
    9.8702    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8702    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4837    1.8135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7157    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7157    6.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  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 11  1  0  0  0  0
  8 15  1  1  0  0  0
 11 10  1  6  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 14 24  1  1  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (122)
391

>  <Formula> (122)
C24H21F2NO3

>  <MolWeight> (122)
409.4252464

>  <Cat> (122)
S1655

>  <Name> (122)
Ezetimibe (SCH-58235)

>  <Synonyms> (122)
SCH-58235

>  <Target> (122)
LDL

>  <Form> (122)
free base

>  <CAS> (122)
163222-33-1

>  <URL> (122)
http://selleckchem.com/products/Ezetimibe(Zetia).html

$$$$
ESTROGENIC SUBSTANCE (estrone).cdx
csChFnd80/06052515002D

 23 26  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
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    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
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  2  0  0  0  0
M  END
>  <Mol_ID> (123)
394

>  <Formula> (123)
C18H22O2

>  <MolWeight> (123)
270.36608

>  <Cat> (123)
S1665

>  <Name> (123)
Estrone

>  <Synonyms> (123)
N/A

>  <Target> (123)
Estrogen/progestogen Receptor

>  <Form> (123)
free base

>  <CAS> (123)
53-16-7

>  <URL> (123)
http://selleckchem.com/products/Estrone.html

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/06052515002D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
>  <Mol_ID> (124)
401

>  <Formula> (124)
C10H20N2S4

>  <MolWeight> (124)
296.5392

>  <Cat> (124)
S1680

>  <Name> (124)
Disulfiram (NSC 190940)

>  <Synonyms> (124)
NSC 190940, Tetraethylthiuram disulfide, TETD

>  <Target> (124)
Apoptosis related,COVID-19,Dehydrogenase,Pyroptosis

>  <Form> (124)
free base

>  <CAS> (124)
97-77-8

>  <URL> (124)
http://selleckchem.com/products/Disulfiram(Antabuse).html

$$$$
CETACORT (hydrocortisone).cdx
csChFnd80/06052515002D

 29 32  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  2  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
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8288    7.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9798    4.8509    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  2  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
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 14 24  1  1  0  0  0
 17 25  1  1  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 17 29  1  6  0  0  0
M  END
>  <Mol_ID> (125)
411

>  <Formula> (125)
C21H30O5

>  <MolWeight> (125)
362.4599

>  <Cat> (125)
S1696

>  <Name> (125)
Hydrocortisone (NSC 10483)

>  <Synonyms> (125)
Cortisol

>  <Target> (125)
Glucocorticoid Receptor

>  <Form> (125)
free base

>  <CAS> (125)
50-23-7

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

$$$$
estradiol.cdx
csChFnd80/06052515002D

 23 26  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
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
M  END
>  <Mol_ID> (126)
417

>  <Formula> (126)
C18H24O2

>  <MolWeight> (126)
272.38196

>  <Cat> (126)
S1709

>  <Name> (126)
Estradiol

>  <Synonyms> (126)
17¦Â-estradiol, ¦Â-Estradiol, E2, 17¦Â-Oestradiol

>  <Target> (126)
Estrogen/progestogen Receptor,Interleukins

>  <Form> (126)
free base

>  <CAS> (126)
50-28-2

>  <URL> (126)
http://selleckchem.com/products/Estradiol.html

$$$$
DCC-2036.cdx
csChFnd80/06052515002D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.3036    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7285    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9367    2.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    4.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    2.7704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1945    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    0.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    2.0728    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    4.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4707    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    4.7398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    3.6994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2075    0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6510    8.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195    8.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791    7.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    6.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6914    9.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003   10.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   10.2127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  2  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
 34 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 35  1  0  0  0  0
M  END
>  <Mol_ID> (127)
419

>  <Formula> (127)
C30H28FN7O3

>  <MolWeight> (127)
553.5868232

>  <Cat> (127)
S2634

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

>  <Synonyms> (127)
N/A

>  <Target> (127)
Bcr-Abl

>  <Form> (127)
free base

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

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

$$$$
IMURAN (azathioprine).cdx
csChFnd80/06052515002D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.2157    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7950    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.5785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.3257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    7.2210    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.4377    6.7884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8151    8.5904    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6467    2.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 12 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (128)
425

>  <Formula> (128)
C9H7N7O2S

>  <MolWeight> (128)
277.26258

>  <Cat> (128)
S1721

>  <Name> (128)
Azathioprine

>  <Synonyms> (128)
BW 57-322

>  <Target> (128)
Rho

>  <Form> (128)
free base

>  <CAS> (128)
446-86-6

>  <URL> (128)
http://selleckchem.com/products/Azathioprine(Azasan).html

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/06052515002D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7390    7.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3134    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    5.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5015    6.4878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2390    8.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    6.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    4.0522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962    2.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  5  7  1  1  0  0  0
  2  8  1  6  0  0  0
  4  9  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (129)
451

>  <Formula> (129)
C8H12N4O5

>  <MolWeight> (129)
244.20468

>  <Cat> (129)
S1782

>  <Name> (129)
Azacitidine (5-Azacytidine)

>  <Synonyms> (129)
5-AzaC,Ladakamycin, AZA,5-Aza, CC-486,NSC 102816,5-Azacytidine

>  <Target> (129)
Autophagy,DNA Methyltransferase,Nucleoside Analog/Antimetabolite

>  <Form> (129)
free base

>  <CAS> (129)
320-67-2

>  <URL> (129)
http://selleckchem.com/products/Azacitidine(Vidaza).html

$$$$
ZOCOR (simvastatin).cdx
csChFnd80/06052515002D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4122    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1165    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6784    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2536    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    9.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  6  0  0  0
  6 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 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
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
  9 20  1  1  0  0  0
 10 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 25 29  2  0  0  0  0
 27 30  1  1  0  0  0
 23 31  1  1  0  0  0
  5 32  1  1  0  0  0
M  END
>  <Mol_ID> (130)
455

>  <Formula> (130)
C25H38O5

>  <MolWeight> (130)
418.56622

>  <Cat> (130)
S1792

>  <Name> (130)
Simvastatin (MK 733)

>  <Synonyms> (130)
MK-0733, MK 733

>  <Target> (130)
Apoptosis related,Autophagy,Ferroptosis,HMG-CoA Reductase,Mitophagy

>  <Form> (130)
free base

>  <CAS> (130)
79902-63-9

>  <URL> (130)
http://selleckchem.com/products/Simvastatin(Zocor).html

$$$$
CEENU (lomustine).cdx
csChFnd80/06052515002D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    4.9098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
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M  END
>  <Mol_ID> (131)
468

>  <Formula> (131)
C9H16ClN3O2

>  <MolWeight> (131)
233.69524

>  <Cat> (131)
S1840

>  <Name> (131)
Lomustine

>  <Synonyms> (131)
NSC79037, Gleostine, CeeNU, CCNU

>  <Target> (131)
DNA/RNA Synthesis

>  <Form> (131)
free base

>  <CAS> (131)
13010-47-4

>  <URL> (131)
http://selleckchem.com/products/Lomustine(CeeNU).html

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/06052515002D

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   10.1031    9.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0930    8.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4453    8.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4353    7.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3737    6.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0035    4.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3605    4.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6845    8.0108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8356   13.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3029    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5154    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0905    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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 17 18  1  0  0  0  0
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 23 24  2  0  0  0  0
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 29 32  1  0  0  0  0
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 29 30  2  0  0  0  0
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 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (132)
484

>  <Formula> (132)
C32H37NO8

>  <MolWeight> (132)
563.63808

>  <Cat> (132)
S1972

>  <Name> (132)
Tamoxifen (ICI 46474) Citrate

>  <Synonyms> (132)
Istubal,ICI 46474 Citrate

>  <Target> (132)
Apoptosis related,Autophagy,Estrogen/progestogen Receptor,HSP (HSP90)

>  <Form> (132)
Citrate

>  <CAS> (132)
54965-24-1

>  <URL> (132)
http://selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

$$$$
untitled.cdx
csChFnd80/06052515002D

 37 41  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.1851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.5802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0395    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (133)
489

>  <Formula> (133)
C29H41F2N5O

>  <MolWeight> (133)
513.6655464

>  <Cat> (133)
S2003

>  <Name> (133)
Maraviroc (UK-427857)

>  <Synonyms> (133)
Celsentri,UK-427857

>  <Target> (133)
CCR,HIV

>  <Form> (133)
free base

>  <CAS> (133)
376348-65-1

>  <URL> (133)
http://selleckchem.com/products/Maraviroc.html

$$$$
YM201636.cdx
csChFnd80/06052515002D

 35 40  0  0  0  0  0  0  0  0999 V2000
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    1.4000   12.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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M  END
>  <Mol_ID> (134)
548

>  <Formula> (134)
C25H21N7O3

>  <MolWeight> (134)
467.47934

>  <Cat> (134)
S1219

>  <Name> (134)
YM201636

>  <Synonyms> (134)
N/A

>  <Target> (134)
Autophagy,PI3K,PIKfyve

>  <Form> (134)
free base

>  <CAS> (134)
371942-69-7

>  <URL> (134)
http://selleckchem.com/products/ym201636.html

$$$$
BX-795.cdx
csChFnd80/06052515002D

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    9.4904    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   21.5979    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8768    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8136    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1136    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7442    4.1923    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.3896    0.7073    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
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  1  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 23 24  1  0  0  0  0
 22 23  1  0  0  0  0
 18 22  1  0  0  0  0
 19 25  1  0  0  0  0
 15 16  1  0  0  0  0
 11 15  1  0  0  0  0
  8  9  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
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 33 29  1  0  0  0  0
 28 34  2  0  0  0  0
M  END
>  <Mol_ID> (135)
554

>  <Formula> (135)
C23H26IN7O2S

>  <MolWeight> (135)
591.46771

>  <Cat> (135)
S1274

>  <Name> (135)
BX-795

>  <Synonyms> (135)
N/A

>  <Target> (135)
Autophagy,I¦ÊB/IKK,PDPK1,TBK1

>  <Form> (135)
free base

>  <CAS> (135)
702675-74-9

>  <URL> (135)
http://selleckchem.com/products/bx-795.html

$$$$
Dalcetrapib£¨JTT-705£©.cdx
csChFnd80/06052515002D

 27 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  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
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 15 22  1  0  0  0  0
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 23 25  1  0  0  0  0
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M  END
>  <Mol_ID> (136)
559

>  <Formula> (136)
C23H35NO2S

>  <MolWeight> (136)
389.5945

>  <Cat> (136)
S2772

>  <Name> (136)
Dalcetrapib (JTT-705)

>  <Synonyms> (136)
RO4607381

>  <Target> (136)
CETP

>  <Form> (136)
free base

>  <CAS> (136)
211513-37-0

>  <URL> (136)
http://selleckchem.com/products/dalcetrapib-jtt-705.html

$$$$
RG108.cdx
csChFnd80/06052515002D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  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
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 10 11  2  0  0  0  0
  1 13  1  0  0  0  0
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 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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M  END
>  <Mol_ID> (137)
560

>  <Formula> (137)
C19H14N2O4

>  <MolWeight> (137)
334.32546

>  <Cat> (137)
S2821

>  <Name> (137)
RG108

>  <Synonyms> (137)
N-Phthalyl-L-tryptophan

>  <Target> (137)
DNA Methyltransferase

>  <Form> (137)
free base

>  <CAS> (137)
48208-26-0

>  <URL> (137)
http://selleckchem.com/products/rg108.html

$$$$
Nocodazole.cdx
csChFnd80/06052515002D

 21 23  0  0  0  0  0  0  0  0999 V2000
   10.5240    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (138)
570

>  <Formula> (138)
C14H11N3O3S

>  <MolWeight> (138)
301.32044

>  <Cat> (138)
S2775

>  <Name> (138)
Nocodazole (R17934)

>  <Synonyms> (138)
Oncodazole, NSC238159

>  <Target> (138)
Apoptosis related,Autophagy,Bcr-Abl,CRISPR/Cas9,Microtubule Associated

>  <Form> (138)
free base

>  <CAS> (138)
31430-18-9

>  <URL> (138)
http://selleckchem.com/products/nocodazole.html

$$$$
Sotrastaurin£¨AEB071£©.cdx
csChFnd80/06052515002D

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  9 18  1  0  0  0  0
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 29 30  2  0  0  0  0
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 28 33  2  0  0  0  0
  3 27  1  0  0  0  0
M  END
>  <Mol_ID> (139)
591

>  <Formula> (139)
C25H22N6O2

>  <MolWeight> (139)
438.48118

>  <Cat> (139)
S2791

>  <Name> (139)
Sotrastaurin (AEB071)

>  <Synonyms> (139)
AEB071

>  <Target> (139)
PKC

>  <Form> (139)
free base

>  <CAS> (139)
425637-18-9

>  <URL> (139)
http://selleckchem.com/products/sotrastaurin-aeb071.html

$$$$
Sirtinol.cdx
csChFnd80/06052515002D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    6.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  2  0  0  0  0
  3 18  1  0  0  0  0
M  END
>  <Mol_ID> (140)
595

>  <Formula> (140)
C26H22N2O2

>  <MolWeight> (140)
394.46508

>  <Cat> (140)
S2804

>  <Name> (140)
Sirtinol

>  <Synonyms> (140)
N/A

>  <Target> (140)
Sirtuin

>  <Form> (140)
free base

>  <CAS> (140)
410536-97-9

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

$$$$
Torin 2.cdx
csChFnd80/06052515002D

 32 36  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    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
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    9.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  6  7  2  0  0  0  0
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  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  8 14  2  0  0  0  0
  9 11  2  0  0  0  0
  2 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 16 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 18 22  1  0  0  0  0
  1 16  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 26 31  2  0  0  0  0
 30 32  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
>  <Mol_ID> (141)
605

>  <Formula> (141)
C24H15F3N4O

>  <MolWeight> (141)
432.3973096

>  <Cat> (141)
S2817

>  <Name> (141)
Torin 2

>  <Synonyms> (141)
N/A

>  <Target> (141)
Apoptosis related,ATM/ATR,Autophagy,DNA-PK,mTOR

>  <Form> (141)
free base

>  <CAS> (141)
1223001-51-1

>  <URL> (141)
http://selleckchem.com/products/torin-2.html

$$$$
CEP33779.cdx
csChFnd80/06052515002D

 33 37  0  0  0  0  0  0  0  0999 V2000
    5.5903    5.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6903    6.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    6.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    5.2672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    7.6879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7830    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0951    6.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9374    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9374    8.3879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6059    8.8205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3622    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1498    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3622    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1498    0.6976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9416    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3580    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14  7  1  0  0  0  0
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 23 18  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
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 30 32  1  0  0  0  0
 30 33  2  0  0  0  0
M  END
>  <Mol_ID> (142)
608

>  <Formula> (142)
C24H26N6O2S

>  <MolWeight> (142)
462.56724

>  <Cat> (142)
S2806

>  <Name> (142)
CEP-33779

>  <Synonyms> (142)
N/A

>  <Target> (142)
JAK

>  <Form> (142)
free base

>  <CAS> (142)
1257704-57-6

>  <URL> (142)
http://selleckchem.com/products/cep33779.html

$$$$
Daunomycin HCL.cdx
csChFnd80/06052515002D

 40 43  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0042    9.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1201    9.0219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9077   12.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284   11.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
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 32 39  1  1  0  0  0
M  END
>  <Mol_ID> (143)
611

>  <Formula> (143)
C27H30ClNO10

>  <MolWeight> (143)
563.9808

>  <Cat> (143)
S3035

>  <Name> (143)
Daunorubicin (RP 13057) HCl

>  <Synonyms> (143)
Daunomycin HCl, Rubidomycin HCl

>  <Target> (143)
ADC Cytotoxin,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,COVID-19,DNA/RNA Synthesis,Topoisomerase

>  <Form> (143)
Hydrochloride

>  <CAS> (143)
23541-50-6

>  <URL> (143)
http://selleckchem.com/products/daunorubicin-hcl-daunomycin-hcl.html

$$$$
E7080.cdx
csChFnd80/06052515002D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.6321    6.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4132    5.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (144)
629

>  <Formula> (144)
C21H19ClN4O4

>  <MolWeight> (144)
426.85296

>  <Cat> (144)
S1164

>  <Name> (144)
Lenvatinib (E7080)

>  <Synonyms> (144)
N/A

>  <Target> (144)
c-Kit,c-RET,FGFR,PDGFR,VEGFR

>  <Form> (144)
free base

>  <CAS> (144)
417716-92-8

>  <URL> (144)
http://selleckchem.com/products/E7080.html

$$$$
LDE225.cdx
csChFnd80/06052515002D

 35 38  0  0  0  0  0  0  0  0999 V2000
   11.1830    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (145)
640

>  <Formula> (145)
C26H26F3N3O3

>  <MolWeight> (145)
485.4981496

>  <Cat> (145)
S2151

>  <Name> (145)
Sonidegib (NVP-LDE225)

>  <Synonyms> (145)
Erismodegib

>  <Target> (145)
Hedgehog/Smoothened

>  <Form> (145)
free base

>  <CAS> (145)
956697-53-3

>  <URL> (145)
http://selleckchem.com/products/LDE225(NVP-LDE225).html

$$$$
Cyclophosphamide monohydrate.cdx
csChFnd80/06052515002D

 15 14  0  0  0  0  0  0  0  0999 V2000
    5.8958    2.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (146)
647

>  <Formula> (146)
C7H17Cl2N2O3P

>  <MolWeight> (146)
279.101241

>  <Cat> (146)
S2057

>  <Name> (146)
Cyclophosphamide (NSC-26271) Monohydrate

>  <Synonyms> (146)
Cytoxan Monohydrate

>  <Target> (146)
DNA alkylator

>  <Form> (146)
Monohydrate

>  <CAS> (146)
6055-19-2

>  <URL> (146)
http://selleckchem.com/products/cyclophosphamide-monohydrate.html

$$$$
AG14361.cdx
csChFnd80/06052515002D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (147)
648

>  <Formula> (147)
C19H20N4O

>  <MolWeight> (147)
320.3883

>  <Cat> (147)
S2178

>  <Name> (147)
AG-14361

>  <Synonyms> (147)
N/A

>  <Target> (147)
PARP

>  <Form> (147)
free base

>  <CAS> (147)
328543-09-5

>  <URL> (147)
http://selleckchem.com/products/AG14361.html

$$$$
MLN9708.cdx
csChFnd80/06052515002D

 34 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (148)
654

>  <Formula> (148)
C20H23BCl2N2O9

>  <MolWeight> (148)
517.12162

>  <Cat> (148)
S2181

>  <Name> (148)
Ixazomib Citrate (MLN9708) Analogue

>  <Synonyms> (148)
N/A

>  <Target> (148)
Autophagy,Proteasome

>  <Form> (148)
free base

>  <CAS> (148)
1201902-80-8

>  <URL> (148)
http://selleckchem.com/products/MLN9708.html

$$$$
GSK 461364.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (149)
660

>  <Formula> (149)
C27H28F3N5O2S

>  <MolWeight> (149)
543.6037296

>  <Cat> (149)
S2193

>  <Name> (149)
GSK461364

>  <Synonyms> (149)
GSK461364A

>  <Target> (149)
PLK

>  <Form> (149)
free base

>  <CAS> (149)
929095-18-1

>  <URL> (149)
http://selleckchem.com/products/GSK461364.html

$$$$
SGI 1776 free base.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (150)
663

>  <Formula> (150)
C20H22F3N5O

>  <MolWeight> (150)
405.4167896

>  <Cat> (150)
S2198

>  <Name> (150)
SGI-1776 free base

>  <Synonyms> (150)
N/A

>  <Target> (150)
Apoptosis related,Autophagy,FLT3,Haspin Kinase,Pim

>  <Form> (150)
free base

>  <CAS> (150)
1025065-69-3

>  <URL> (150)
http://selleckchem.com/products/SGI-1776.html

$$$$
BMS817378.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (151)
664

>  <Formula> (151)
C23H15ClF2N4O3

>  <MolWeight> (151)
468.8400064

>  <Cat> (151)
S2201

>  <Name> (151)
BMS-794833

>  <Synonyms> (151)
N/A

>  <Target> (151)
c-Met,RON,VEGFR

>  <Form> (151)
free base

>  <CAS> (151)
1174046-72-0

>  <URL> (151)
http://selleckchem.com/products/BMS-794833.html

$$$$
DAPT.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (152)
669

>  <Formula> (152)
C23H26F2N2O4

>  <MolWeight> (152)
432.4603464

>  <Cat> (152)
S2215

>  <Name> (152)
DAPT (GSI-IX)

>  <Synonyms> (152)
LY-374973

>  <Target> (152)
Apoptosis related,Autophagy,Beta Amyloid,Secretase

>  <Form> (152)
free base

>  <CAS> (152)
208255-80-5

>  <URL> (152)
http://selleckchem.com/products/DAPT-GSI-IX.html

$$$$
irinotecan.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (153)
671

>  <Formula> (153)
C33H45ClN4O9

>  <MolWeight> (153)
677.1848

>  <Cat> (153)
S2217

>  <Name> (153)
Irinotecan (CPT-11) HCl Trihydrate

>  <Synonyms> (153)
CPT-11 HCl Trihydrate

>  <Target> (153)
Topoisomerase

>  <Form> (153)
HCl & trihydrat

>  <CAS> (153)
136572-09-3

>  <URL> (153)
http://selleckchem.com/products/Irinotecan-Hcl-Trihydrate-Campto.html

$$$$
SB 590885.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (154)
674

>  <Formula> (154)
C27H27N5O2

>  <MolWeight> (154)
453.53558

>  <Cat> (154)
S2220

>  <Name> (154)
SB590885

>  <Synonyms> (154)
N/A

>  <Target> (154)
Raf

>  <Form> (154)
free base

>  <CAS> (154)
405554-55-4

>  <URL> (154)
http://selleckchem.com/products/SB590885.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/06052515002D

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    8.4702    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   10.4879    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
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 14 23  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (155)
675

>  <Formula> (155)
C22H18O11

>  <MolWeight> (155)
458.37172

>  <Cat> (155)
S2250

>  <Name> (155)
(-)-Epigallocatechin Gallate

>  <Synonyms> (155)
EGCG

>  <Target> (155)
DNA Methyltransferase,EGFR,Fatty Acid Synthase,HER2,Telomerase

>  <Form> (155)
free base

>  <CAS> (155)
989-51-5

>  <URL> (155)
http://selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Cyclosporin A.cdx
csChFnd80/06052515002D

 85 85  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    6.3097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    9.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    8.4171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4997    9.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    9.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5830    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5830    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3663    9.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163    8.4171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7997    9.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4496    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4496    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2330    9.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.8049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540   11.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540   12.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3663   10.5244    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1497   11.2268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330   10.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5788   11.2244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5788   12.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621   13.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621   14.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1455   15.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2330   10.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6621    9.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    2.1049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7121    2.8049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    2.8049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3494    2.1049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    2.1049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9867    2.8049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1992    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4116    2.8049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.4116    4.2098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6241    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9867    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7065    5.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1992    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6241    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4116    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8365    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1141    5.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5189    5.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8165    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9837   11.2244    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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  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
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  1  0  0  0
 18 19  1  0  0  0  0
 20 19  1  6  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 26 30  1  0  0  0  0
 25 31  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
  6 35  1  1  0  0  0
  1 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 10 40  1  0  0  0  0
 17 41  1  0  0  0  0
 41 42  1  6  0  0  0
 14 43  2  0  0  0  0
 41 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 24 49  2  0  0  0  0
 23 50  1  0  0  0  0
 29 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  0  0  0  0
 29 64  1  6  0  0  0
 56 65  1  6  0  0  0
 53 66  1  1  0  0  0
 59 67  1  1  0  0  0
 62 68  1  1  0  0  0
 52 69  2  0  0  0  0
 55 70  2  0  0  0  0
 65 71  1  0  0  0  0
 71 72  1  0  0  0  0
 57 73  1  0  0  0  0
 58 74  2  0  0  0  0
 67 75  1  0  0  0  0
 67 76  1  0  0  0  0
 71 77  1  0  0  0  0
 61 78  2  0  0  0  0
 68 79  1  0  0  0  0
 79 80  1  0  0  0  0
 79 81  1  0  0  0  0
 63 82  1  0  0  0  0
 82 22  1  0  0  0  0
 82 83  2  0  0  0  0
 63 84  1  0  0  0  0
 44 85  1  1  0  0  0
M  END
>  <Mol_ID> (156)
700

>  <Formula> (156)
C62H111N11O12

>  <MolWeight> (156)
1202.61124

>  <Cat> (156)
S2286

>  <Name> (156)
Cyclosporin A (NSC 290193)

>  <Synonyms> (156)
Cyclosporine A, Cyclosporine, Ciclosporin, CsA,NSC 290193

>  <Target> (156)
Antineoplastic and Immunosuppressive Antibiotics,Complement System,Immunology & Inflammation related,phosphatase

>  <Form> (156)
free base

>  <CAS> (156)
59865-13-3

>  <URL> (156)
http://selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

$$$$
Phloretin.cdx
csChFnd80/06052515002D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    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
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (157)
742

>  <Formula> (157)
C15H14O5

>  <MolWeight> (157)
274.26866

>  <Cat> (157)
S2342

>  <Name> (157)
Phloretin (RJC 02792)

>  <Synonyms> (157)
NSC 407292, Dihydronaringenin

>  <Target> (157)
SGLT

>  <Form> (157)
free base

>  <CAS> (157)
60-82-2

>  <URL> (157)
http://selleckchem.com/products/Phloretin(Dihydronaringenin).html

$$$$
Chrysophanic acid.cdx
csChFnd80/06052515002D

 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
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M  END
>  <Mol_ID> (158)
755

>  <Formula> (158)
C15H10O4

>  <MolWeight> (158)
254.2375

>  <Cat> (158)
S2406

>  <Name> (158)
Chrysophanic Acid

>  <Synonyms> (158)
Chrysophanol

>  <Target> (158)
EGFR,mTOR

>  <Form> (158)
free base

>  <CAS> (158)
481-74-3

>  <URL> (158)
http://selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
PCI-32765.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (159)
777

>  <Formula> (159)
C25H24N6O2

>  <MolWeight> (159)
440.49706

>  <Cat> (159)
S2680

>  <Name> (159)
Ibrutinib (PCI-32765)

>  <Synonyms> (159)
PCI-32765,Imbruvica

>  <Target> (159)
BTK,Target Protein Ligand

>  <Form> (159)
free base

>  <CAS> (159)
936563-96-1

>  <URL> (159)
http://selleckchem.com/products/pci-32765.html

$$$$
WAY362450.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (160)
780

>  <Formula> (160)
C25H24F2N2O3

>  <MolWeight> (160)
438.4664664

>  <Cat> (160)
S2694

>  <Name> (160)
Turofexorate Isopropyl (XL335)

>  <Synonyms> (160)
Fxr 450

>  <Target> (160)
FXR

>  <Form> (160)
free base

>  <CAS> (160)
629664-81-9

>  <URL> (160)
http://selleckchem.com/products/way-362450.html

$$$$
AMG900.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (161)
781

>  <Formula> (161)
C28H21N7OS

>  <MolWeight> (161)
503.57764

>  <Cat> (161)
S2719

>  <Name> (161)
AMG-900

>  <Synonyms> (161)
N/A

>  <Target> (161)
Aurora Kinase

>  <Form> (161)
free base

>  <CAS> (161)
945595-80-2

>  <URL> (161)
http://selleckchem.com/products/amg-900.html

$$$$

csChFnd80/06052515002D

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   10.1002   -7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1002   -5.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4502   -9.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8835   -9.1100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0959   -2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7332   -3.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3084   -9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5208   -9.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7332   -9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9457   -9.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1581   -9.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8586   -4.1267    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4538   -4.1267    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
  6 15  1  0  0  0  0
  3 16  1  0  0  0  0
 10 17  2  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 11 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 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 32  1  0  0  0  0
M  END
>  <Mol_ID> (162)
784

>  <Formula> (162)
C22H30Cl2N4O6

>  <MolWeight> (162)
517.4028

>  <Cat> (162)
S2485

>  <Name> (162)
Mitoxantrone (NSC-301739)?2HCl

>  <Synonyms> (162)
NSC-301739 2HCl

>  <Target> (162)
Apoptosis related,COVID-19,PKC,Topoisomerase

>  <Form> (162)
Dihydrochloride

>  <CAS> (162)
70476-82-3

>  <URL> (162)
http://selleckchem.com/products/Mitoxantrone-Hydrochloride.html

$$$$
Mycophenolic acid.cdx
csChFnd80/06052515002D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918    5.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4206    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8412    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8412    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0495    4.1903    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
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  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
  7 14  2  0  0  0  0
  6 15  1  0  0  0  0
  3 16  1  0  0  0  0
 12 17  2  0  0  0  0
 17 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
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (163)
786

>  <Formula> (163)
C17H20O6

>  <MolWeight> (163)
320.3371

>  <Cat> (163)
S2487

>  <Name> (163)
Mycophenolic acid

>  <Synonyms> (163)
Mycophenolate, RS-61443

>  <Target> (163)
Antineoplastic and Immunosuppressive Antibiotics,Dehydrogenase,Selection Antibiotics for Transfected Cell

>  <Form> (163)
free base

>  <CAS> (163)
24280-93-1

>  <URL> (163)
http://selleckchem.com/products/Mycophenolic-acid(Mycophenolate).html

$$$$
GSK2126458.cdx
csChFnd80/06052515002D

 36 40  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 17 26  1  0  0  0  0
 21 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 20 28  1  0  0  0  0
 14 23  1  0  0  0  0
 33 34  1  0  0  0  0
 11 33  1  0  0  0  0
 10 12  1  0  0  0  0
  4 35  1  0  0  0  0
  2 36  1  0  0  0  0
M  END
>  <Mol_ID> (164)
794

>  <Formula> (164)
C25H17F2N5O3S

>  <MolWeight> (164)
505.4959864

>  <Cat> (164)
S2658

>  <Name> (164)
Omipalisib (GSK2126458)

>  <Synonyms> (164)
GSK458

>  <Target> (164)
Autophagy,mTOR,PI3K

>  <Form> (164)
free base

>  <CAS> (164)
1086062-66-9

>  <URL> (164)
http://selleckchem.com/products/gsk2126458.html

$$$$
fty720.cdx
csChFnd80/06052515002D

 23 22  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8712    3.0198    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (165)
820

>  <Formula> (165)
C19H34ClNO2

>  <MolWeight> (165)
343.93176

>  <Cat> (165)
S5002

>  <Name> (165)
Fingolimod (FTY720) HCl

>  <Synonyms> (165)
Fingolimod Hydrochloride,FTY720

>  <Target> (165)
S1P Receptor

>  <Form> (165)
Hydrochloride

>  <CAS> (165)
162359-56-0

>  <URL> (165)
http://selleckchem.com/products/FTY720.html

$$$$
Toremifene Citrate.cdx
csChFnd80/06052515002D

 42 43  0  0  0  0  0  0  0  0999 V2000
    6.0622    8.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    5.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    8.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    8.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    8.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    8.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    6.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    5.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    6.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    8.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    8.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.9585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.6585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079   10.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955   10.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204   10.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (166)
823

>  <Formula> (166)
C32H36ClNO8

>  <MolWeight> (166)
598.08314

>  <Cat> (166)
S1776

>  <Name> (166)
Toremifene Citrate (NK 622)

>  <Synonyms> (166)
NSC 613680,NK 622 Citrate

>  <Target> (166)
Estrogen/progestogen Receptor

>  <Form> (166)
Citrate

>  <CAS> (166)
89778-27-8

>  <URL> (166)
http://selleckchem.com/products/Toremifene-Citrate(Fareston).html

$$$$
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>  <Mol_ID> (167)
824

>  <Formula> (167)
C22H18FN7O

>  <MolWeight> (167)
415.4230232

>  <Cat> (167)
S2226

>  <Name> (167)
Idelalisib

>  <Synonyms> (167)
CAL-101, GS-1101

>  <Target> (167)
Autophagy,PI3K

>  <Form> (167)
free base

>  <CAS> (167)
870281-82-6

>  <URL> (167)
http://selleckchem.com/products/CAL-101.html

$$$$
BI 6727.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (168)
825

>  <Formula> (168)
C34H50N8O3

>  <MolWeight> (168)
618.8126

>  <Cat> (168)
S2235

>  <Name> (168)
Volasertib (BI 6727)

>  <Synonyms> (168)
N/A

>  <Target> (168)
Apoptosis related,PLK

>  <Form> (168)
free base

>  <CAS> (168)
755038-65-4

>  <URL> (168)
http://selleckchem.com/products/BI6727-Volasertib.html

$$$$
TAME.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (169)
827

>  <Formula> (169)
C14H22N4O4S

>  <MolWeight> (169)
342.41388

>  <Cat> (169)
S2225

>  <Name> (169)
TAME

>  <Synonyms> (169)
N/A

>  <Target> (169)
APC,E3 Ligase

>  <Form> (169)
free base

>  <CAS> (169)
901-47-3

>  <URL> (169)
http://selleckchem.com/products/TAME.html

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/06052515002D

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 22  4  1  0  0  0  0
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M  END
>  <Mol_ID> (170)
828

>  <Formula> (170)
C20H16ClN5O3

>  <MolWeight> (170)
409.82574

>  <Cat> (170)
S2231

>  <Name> (170)
Telatinib

>  <Synonyms> (170)
BAY 57-9352

>  <Target> (170)
c-Kit,PDGFR,VEGFR

>  <Form> (170)
free base

>  <CAS> (170)
332012-40-5

>  <URL> (170)
http://selleckchem.com/products/Telatinib-BAY-57-9352.html

$$$$
BKM-120.cdx
csChFnd80/06052515002D

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 17  8  1  0  0  0  0
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M  END
>  <Mol_ID> (171)
847

>  <Formula> (171)
C18H21F3N6O2

>  <MolWeight> (171)
410.3935496

>  <Cat> (171)
S2247

>  <Name> (171)
Buparlisib (BKM120)

>  <Synonyms> (171)
NVP-BKM120

>  <Target> (171)
Apoptosis related,PI3K

>  <Form> (171)
free base

>  <CAS> (171)
944396-07-0

>  <URL> (171)
http://selleckchem.com/products/BKM-120.html

$$$$
CX-4945.cdx
csChFnd80/06052515002D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (172)
848

>  <Formula> (172)
C19H12ClN3O2

>  <MolWeight> (172)
349.77048

>  <Cat> (172)
S2248

>  <Name> (172)
Silmitasertib (CX-4945)

>  <Synonyms> (172)
N/A

>  <Target> (172)
Apoptosis related,Autophagy,Casein Kinase

>  <Form> (172)
free base

>  <CAS> (172)
1009820-21-6

>  <URL> (172)
http://selleckchem.com/products/cx-4945-silmitasertib.html

$$$$
GW3965 hydrochloride.cdx
csChFnd80/06052515002D

 42 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (173)
849

>  <Formula> (173)
C33H32Cl2F3NO3

>  <MolWeight> (173)
618.5132896

>  <Cat> (173)
S2630

>  <Name> (173)
GW3965 HCl

>  <Synonyms> (173)
N/A

>  <Target> (173)
Liver X Receptor

>  <Form> (173)
hydrochloride

>  <CAS> (173)
405911-17-3

>  <URL> (173)
http://selleckchem.com/products/gw3965.html

$$$$
LY2157299.cdx
csChFnd80/06052515002D

 28 32  0  0  0  0  0  0  0  0999 V2000
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MEK

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free base

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1035555-63-5

>  <URL> (175)
http://selleckchem.com/products/tak-733.html

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free base

>  <CAS> (176)
471905-41-6

>  <URL> (176)
http://selleckchem.com/products/mk-0752.html

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>  <Form> (177)
free base

>  <CAS> (177)
937174-76-0

>  <URL> (177)
http://selleckchem.com/products/GSK690693.html

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>  <Mol_ID> (178)
888

>  <Formula> (178)
C18H22BrN5O3

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436.30298

>  <Cat> (178)
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>  <Name> (178)
Rabusertib (LY2603618)

>  <Synonyms> (178)
IC-83

>  <Target> (178)
Apoptosis related,Autophagy,Chk

>  <Form> (178)
free base

>  <CAS> (178)
911222-45-2

>  <URL> (178)
http://selleckchem.com/products/LY2603618-IC-83.html

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>  <Mol_ID> (179)
894

>  <Formula> (179)
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>  <MolWeight> (179)
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>  <Name> (179)
PF-3845

>  <Synonyms> (179)
N/A

>  <Target> (179)
FAAH

>  <Form> (179)
free base

>  <CAS> (179)
1196109-52-0

>  <URL> (179)
http://selleckchem.com/products/pf-3845.html

$$$$
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>  <Cat> (180)
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>  <Name> (180)
PHA-665752

>  <Synonyms> (180)
N/A

>  <Target> (180)
c-Met

>  <Form> (180)
free base

>  <CAS> (180)
477575-56-7

>  <URL> (180)
http://selleckchem.com/products/PHA-665752.html

$$$$
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>  <Mol_ID> (181)
903

>  <Formula> (181)
C26H29N3O3

>  <MolWeight> (181)
431.52676

>  <Cat> (181)
S2700

>  <Name> (181)
Tirbanibulin

>  <Synonyms> (181)
KX2-391,KX 01

>  <Target> (181)
Src

>  <Form> (181)
free base

>  <CAS> (181)
897016-82-9

>  <URL> (181)
http://selleckchem.com/products/kx2-391.html

$$$$
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C26H23F2N3O3

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Dibenzazepine (YO-01027)

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DBZ

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Notch,Secretase

>  <Form> (182)
free base

>  <CAS> (182)
209984-56-5

>  <URL> (182)
http://selleckchem.com/products/yo-01027.html

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TG101348.cdx
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>  <Name> (183)
Fedratinib (TG101348)

>  <Synonyms> (183)
SAR302503

>  <Target> (183)
Apoptosis related,c-RET,FLT3,JAK

>  <Form> (183)
free base

>  <CAS> (183)
936091-26-8

>  <URL> (183)
http://selleckchem.com/products/Fedratinib-SAR302503-TG101348.html

$$$$
AZ3146.cdx
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>  <Mol_ID> (184)
911

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C24H32N6O3

>  <MolWeight> (184)
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AZ 3146

>  <Synonyms> (184)
N/A

>  <Target> (184)
MPS1

>  <Form> (184)
free base

>  <CAS> (184)
1124329-14-1

>  <URL> (184)
http://selleckchem.com/products/az-3146.html

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C15H19N7O3S

>  <MolWeight> (185)
377.42146

>  <Cat> (185)
S2699

>  <Name> (185)
CH5132799

>  <Synonyms> (185)
MEN1611, PA799

>  <Target> (185)
PI3K

>  <Form> (185)
free base

>  <CAS> (185)
1007207-67-1

>  <URL> (185)
http://selleckchem.com/products/ch5132799.html

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (186)
921

>  <Formula> (186)
C21H21Cl2NO5

>  <MolWeight> (186)
438.30114

>  <Cat> (186)
S2679

>  <Name> (186)
Flavopiridol (L86-8275) HCl

>  <Synonyms> (186)
NSC 649890, Alvocidib, HMR-1275, DSP-2033

>  <Target> (186)
Autophagy,CDK,HIV

>  <Form> (186)
Hydrochloride

>  <CAS> (186)
131740-09-5

>  <URL> (186)
http://selleckchem.com/products/flavopiridol-hydrochloride.html

$$$$
PH797804.cdx
csChFnd80/06052515002D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (187)
922

>  <Formula> (187)
C22H19BrF2N2O3

>  <MolWeight> (187)
477.2986664

>  <Cat> (187)
S2726

>  <Name> (187)
PH-797804

>  <Synonyms> (187)
N/A

>  <Target> (187)
p38 MAPK

>  <Form> (187)
free base

>  <CAS> (187)
586379-66-0

>  <URL> (187)
http://selleckchem.com/products/ph-797804.html

$$$$
PF299804.cdx
csChFnd80/06052515002D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (188)
923

>  <Formula> (188)
C24H25ClFN5O2

>  <MolWeight> (188)
469.9390032

>  <Cat> (188)
S2727

>  <Name> (188)
Dacomitinib (PF-00299804)

>  <Synonyms> (188)
PF299804,PF299

>  <Target> (188)
Apoptosis related,EGFR,HER2

>  <Form> (188)
free base

>  <CAS> (188)
1110813-31-4

>  <URL> (188)
http://selleckchem.com/products/pf299804.html

$$$$
INK 128.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (189)
925

>  <Formula> (189)
C15H15N7O

>  <MolWeight> (189)
309.3259

>  <Cat> (189)
S2811

>  <Name> (189)
Sapanisertib (MLN0128)

>  <Synonyms> (189)
INK 128,TAK-228

>  <Target> (189)
mTOR

>  <Form> (189)
free base

>  <CAS> (189)
1224844-38-5

>  <URL> (189)
http://selleckchem.com/products/ink128.html

$$$$
CP868569.cdx
csChFnd80/06052515002D

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    3.6373    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    6.0580    5.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2043    4.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5737    3.9093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3369    6.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6431    5.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0757    6.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7696    7.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4404    7.0344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3739    5.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3739    4.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9739    4.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9739    3.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3739    3.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7739    4.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 28  1  0  0  0  0
 28 32  1  0  0  0  0
 14 33  1  0  0  0  0
M  END
>  <Mol_ID> (190)
929

>  <Formula> (190)
C26H29N5O2

>  <MolWeight> (190)
443.54076

>  <Cat> (190)
S2730

>  <Name> (190)
Crenolanib (CP-868596)

>  <Synonyms> (190)
ARO 002

>  <Target> (190)
FLT3,Mitophagy,PDGFR

>  <Form> (190)
free base

>  <CAS> (190)
670220-88-9

>  <URL> (190)
http://selleckchem.com/products/crenolanib-cp-868596.html

$$$$
PAC1.cdx
csChFnd80/06052515002D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6869    0.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  3  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  3  1  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
 15 17  2  0  0  0  0
 16 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
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (191)
933

>  <Formula> (191)
C23H28N4O2

>  <MolWeight> (191)
392.49402

>  <Cat> (191)
S2738

>  <Name> (191)
PAC-1

>  <Synonyms> (191)
N/A

>  <Target> (191)
Caspase

>  <Form> (191)
free base

>  <CAS> (191)
315183-21-2

>  <URL> (191)
http://selleckchem.com/products/pac-1.html

$$$$
Lonidamine.cdx
csChFnd80/06052515002D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    4.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1875    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2909    6.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542    7.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847    7.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    3.8786    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6556    7.1180    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 11  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (192)
968

>  <Formula> (192)
C15H10Cl2N2O2

>  <MolWeight> (192)
321.1581

>  <Cat> (192)
S2610

>  <Name> (192)
Lonidamine (AF-1890)

>  <Synonyms> (192)
Diclondazolic Acid, DICA

>  <Target> (192)
Carbohydrate Metabolism,Others

>  <Form> (192)
free base

>  <CAS> (192)
50264-69-2

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

$$$$
TPCA-1.cdx
csChFnd80/06052515002D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    2.2306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2238    4.6274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8558    4.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2482    4.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    2.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
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 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
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 17 18  2  0  0  0  0
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 16 17  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (193)
1016

>  <Formula> (193)
C12H10FN3O2S

>  <MolWeight> (193)
279.2901032

>  <Cat> (193)
S2824

>  <Name> (193)
TPCA-1

>  <Synonyms> (193)
GW683965

>  <Target> (193)
Apoptosis related,I¦ÊB/IKK,NF-¦ÊB,STAT

>  <Form> (193)
free base

>  <CAS> (193)
507475-17-4

>  <URL> (193)
http://selleckchem.com/products/tpca-1.html

$$$$
GW4064.cdx
csChFnd80/06052515002D

 36 39  0  0  0  0  0  0  0  0999 V2000
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (194)
1090

>  <Formula> (194)
C28H22Cl3NO4

>  <MolWeight> (194)
542.83758

>  <Cat> (194)
S2782

>  <Name> (194)
GW4064

>  <Synonyms> (194)
N/A

>  <Target> (194)
Autophagy,FXR

>  <Form> (194)
free base

>  <CAS> (194)
278779-30-9

>  <URL> (194)
http://selleckchem.com/products/gw-4064.html

$$$$
Triptolide.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (195)
1098

>  <Formula> (195)
C20H24O6

>  <MolWeight> (195)
360.40096

>  <Cat> (195)
S3604

>  <Name> (195)
Triptolide (PG490)

>  <Synonyms> (195)
NSC 163062

>  <Target> (195)
ADC Cytotoxin,Apoptosis related,HSP (HSP90),MDM2/MDMX,NF-¦ÊB

>  <Form> (195)
free base

>  <CAS> (195)
38748-32-2

>  <URL> (195)
http://selleckchem.com/products/triptolide.html

$$$$
PF-562271.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (196)
1099

>  <Formula> (196)
C21H20F3N7O3S

>  <MolWeight> (196)
507.4888096

>  <Cat> (196)
S2890

>  <Name> (196)
PF-562271

>  <Synonyms> (196)
PF-00562271

>  <Target> (196)
CDK,FAK,Pyk2

>  <Form> (196)
free base

>  <CAS> (196)
717907-75-0

>  <URL> (196)
http://selleckchem.com/products/pf-562271.html

$$$$
PF 573228.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (197)
1134

>  <Formula> (197)
C22H20F3N5O3S

>  <MolWeight> (197)
491.4861096

>  <Cat> (197)
S2013

>  <Name> (197)
PF-573228

>  <Synonyms> (197)
N/A

>  <Target> (197)
Apoptosis related,FAK

>  <Form> (197)
free base

>  <CAS> (197)
869288-64-2

>  <URL> (197)
http://selleckchem.com/products/pf-573228.html

$$$$
OSI-906.cdx
csChFnd80/06052515002D

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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 16 11  1  0  0  0  0
  2 17  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 19  1  0  0  0  0
 22 26  1  0  0  0  0
 27 20  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 27  1  0  0  0  0
 29 31  1  1  0  0  0
 29 32  1  6  0  0  0
M  END
>  <Mol_ID> (198)
1228

>  <Formula> (198)
C26H23N5O

>  <MolWeight> (198)
421.49372

>  <Cat> (198)
S1091

>  <Name> (198)
Linsitinib (OSI-906)

>  <Synonyms> (198)
N/A

>  <Target> (198)
IGF-1R

>  <Form> (198)
free base

>  <CAS> (198)
867160-71-2

>  <URL> (198)
http://selleckchem.com/products/OSI-906.html

$$$$
PF-04708671.cdx
csChFnd80/06052515002D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.7302   10.5244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    9.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724    8.5723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6535    0.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    2.1287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4129    2.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4129    4.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    4.9299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6104    6.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    7.0266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1767    6.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    8.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0893   10.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1858    9.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8703   10.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1549   12.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7677   12.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2703   10.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6703   10.8589    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2703   12.2670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2703    9.4670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  1  2  1  0  0  0  0
  3 20  1  0  0  0  0
 19  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  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
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18  2  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (199)
1233

>  <Formula> (199)
C19H21F3N6

>  <MolWeight> (199)
390.4054496

>  <Cat> (199)
S2163

>  <Name> (199)
PF-4708671

>  <Synonyms> (199)
N/A

>  <Target> (199)
Autophagy,S6 Kinase

>  <Form> (199)
free base

>  <CAS> (199)
1255517-76-0

>  <URL> (199)
http://selleckchem.com/products/pf-4708671.html

$$$$
QNZ.cdx
csChFnd80/06052515002D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  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
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 22 27  2  0  0  0  0
 21 22  1  0  0  0  0
 18 21  1  0  0  0  0
 14 15  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (200)
1253

>  <Formula> (200)
C22H20N4O

>  <MolWeight> (200)
356.4204

>  <Cat> (200)
S4902

>  <Name> (200)
QNZ (EVP4593)

>  <Synonyms> (200)
N/A

>  <Target> (200)
NF-¦ÊB,TNF-alpha

>  <Form> (200)
free base

>  <CAS> (200)
545380-34-5

>  <URL> (200)
http://selleckchem.com/products/qnz-evp4593.html

$$$$
sodium phenylbutyrate.cdx
csChFnd80/06052515002D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  4  6  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (201)
1302

>  <Formula> (201)
C10H11NaO2

>  <MolWeight> (201)
186.18291

>  <Cat> (201)
S4125

>  <Name> (201)
Sodium Phenylbutyrate

>  <Synonyms> (201)
4-PBA, 4-Phenylbutyric acid, NaPB

>  <Target> (201)
HDAC

>  <Form> (201)
Sodium Salt

>  <CAS> (201)
1716-12-7

>  <URL> (201)
http://selleckchem.com/products/sodium-phenylbutyrate.html

$$$$
Vincristine Sulfate.cdx
csChFnd80/06052515002D

 68 75  0  0  0  0  0  0  0  0999 V2000
    5.3471    4.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3371    3.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6894    3.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0517    5.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0618    6.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7095    5.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9995    3.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8635    2.9336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9515    3.8146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4498    5.1217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4397    6.1116    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8041    7.3590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4214    7.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2024    5.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8378    6.0383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6003    7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9647    8.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5666    8.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2002    4.6860    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3038    3.4523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9365    1.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5842    1.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9515    2.4146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9414    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1539    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6525    1.5661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5162    2.7523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5525    4.3237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7649    3.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7649    2.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9731    4.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8021    4.7593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1901    5.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1801    6.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7229    6.6625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7330    7.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5105    5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1582    6.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8105    4.7501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9520    9.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    9.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3502    7.4334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422   11.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900   11.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    9.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0043   10.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0752    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0167    9.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6590   10.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7652    6.0777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8906    8.8479    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1030    9.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (202)
1468

>  <Formula> (202)
C46H58N4O14S

>  <MolWeight> (202)
923.03612

>  <Cat> (202)
S1241

>  <Name> (202)
Vincristine (NSC-67574) sulfate

>  <Synonyms> (202)
Leurocristine, Oncovin, NSC-67574, 22-Oxovincaleukoblastine

>  <Target> (202)
Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,Microtubule Associated

>  <Form> (202)
free base

>  <CAS> (202)
2068-78-2

>  <URL> (202)
http://selleckchem.com/products/Vincristine-Sulfate.html

$$$$
Temsirolimus.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (203)
1500

>  <Formula> (203)
C56H87NO16

>  <MolWeight> (203)
1030.28708

>  <Cat> (203)
S1044

>  <Name> (203)
Temsirolimus (CCI-779)

>  <Synonyms> (203)
NSC 683864,CCI-779

>  <Target> (203)
Apoptosis related,Autophagy,mTOR

>  <Form> (203)
free base

>  <CAS> (203)
162635-04-3

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

$$$$
PF-2341066.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (204)
1512

>  <Formula> (204)
C21H22Cl2FN5O

>  <MolWeight> (204)
450.3366832

>  <Cat> (204)
S1068

>  <Name> (204)
Crizotinib (PF-02341066)

>  <Synonyms> (204)
PF-02341066

>  <Target> (204)
ALK,Autophagy,c-Met,ROS1

>  <Form> (204)
free base

>  <CAS> (204)
877399-52-5

>  <URL> (204)
http://selleckchem.com/products/PF-2341066.html

$$$$
Gossypol-a ceticacid.cdx
csChFnd80/06052515002D

 44 46  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (205)
1520

>  <Formula> (205)
C32H34O10

>  <MolWeight> (205)
578.60636

>  <Cat> (205)
S2303

>  <Name> (205)
Gossypol Acetate

>  <Synonyms> (205)
Gossypol Acetic acid, Pogosin, AT101

>  <Target> (205)
Dehydrogenase

>  <Form> (205)
Acetate

>  <CAS> (205)
12542-36-8

>  <URL> (205)
https://www.selleckchem.com/products/gossypol-acetate.html

$$$$
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csChFnd80/06052515002D

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>  <Mol_ID> (206)
1697

>  <Formula> (206)
C30H31F3N8O

>  <MolWeight> (206)
576.6153496

>  <Cat> (206)
S1369

>  <Name> (206)
Bafetinib (INNO-406)

>  <Synonyms> (206)
NS-187

>  <Target> (206)
Bcr-Abl

>  <Form> (206)
free base

>  <CAS> (206)
859212-16-1

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

$$$$
NU6027.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (207)
1952

>  <Formula> (207)
C11H17N5O2

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251.28498

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NU6027

>  <Synonyms> (207)
N/A

>  <Target> (207)
CDK

>  <Form> (207)
free base

>  <CAS> (207)
220036-08-8

>  <URL> (207)
http://selleckchem.com/products/nu6027.html

$$$$
SANT-1.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (208)
1954

>  <Formula> (208)
C23H27N5

>  <MolWeight> (208)
373.49398

>  <Cat> (208)
S7092

>  <Name> (208)
SANT-1

>  <Synonyms> (208)
N/A

>  <Target> (208)
Hedgehog/Smoothened

>  <Form> (208)
free base

>  <CAS> (208)
304909-07-7

>  <URL> (208)
http://selleckchem.com/products/sant-1.html

$$$$
Sodium valproate.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (209)
2169

>  <Formula> (209)
C8H15NaO2

>  <MolWeight> (209)
166.19327

>  <Cat> (209)
S1168

>  <Name> (209)
Valproic Acid (NSC 93819) sodium salt

>  <Synonyms> (209)
Sodium valproate,NSC 93819,2-Propylpentanoic Acid

>  <Target> (209)
Autophagy,GABA Receptor,HDAC,Mitophagy,Notch,PGC-1¦Á

>  <Form> (209)
Sodium salt

>  <CAS> (209)
1069-66-5

>  <URL> (209)
http://selleckchem.com/products/Sodium-valproate.html

$$$$
SNS-314 Mesylate.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (210)
2186

>  <Formula> (210)
C19H19ClN6O4S3

>  <MolWeight> (210)
527.03996

>  <Cat> (210)
S1154

>  <Name> (210)
SNS-314

>  <Synonyms> (210)
N/A

>  <Target> (210)
Aurora Kinase

>  <Form> (210)
Mesylate

>  <CAS> (210)
1057249-41-8

>  <URL> (210)
http://selleckchem.com/products/sns-314-mesylate.html

$$$$
SKI II (SphK-I2).cdx
csChFnd80/06052515002D

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>  <Mol_ID> (211)
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C15H11ClN2OS

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>  <Name> (211)
SKI II

>  <Synonyms> (211)
SphK-I2

>  <Target> (211)
SPHK

>  <Form> (211)
free base

>  <CAS> (211)
312636-16-1

>  <URL> (211)
http://selleckchem.com/products/ski-ii.html

$$$$
LM-3228 AR-A014418.cdx
csChFnd80/06052515002D

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>  <Mol_ID> (212)
2425

>  <Formula> (212)
C12H12N4O4S

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AR-A014418

>  <Synonyms> (212)
GSK-3¦Â Inhibitor VIII

>  <Target> (212)
GSK-3

>  <Form> (212)
free base

>  <CAS> (212)
487021-52-3

>  <URL> (212)
http://selleckchem.com/products/A014418.html

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>  <Mol_ID> (213)
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>  <Formula> (213)
C18H13N7

>  <MolWeight> (213)
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>  <Name> (213)
FR 180204

>  <Synonyms> (213)
N/A

>  <Target> (213)
ERK

>  <Form> (213)
free base

>  <CAS> (213)
865362-74-9

>  <URL> (213)
http://selleckchem.com/products/fr180204.html

$$$$
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csChFnd80/06052515002D

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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (214)
2522

>  <Formula> (214)
C22H28O3

>  <MolWeight> (214)
340.45592

>  <Cat> (214)
S7476

>  <Name> (214)
MG149

>  <Synonyms> (214)
Tip60 HAT inhibitor

>  <Target> (214)
Histone Acetyltransferase

>  <Form> (214)
free base

>  <CAS> (214)
1243583-85-8

>  <URL> (214)
http://selleckchem.com/products/mg149.html

$$$$
GSK650394.cdx
csChFnd80/06052515002D

 29 33  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
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   13.2506    5.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9595    6.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5671    7.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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 11 12  2  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 25  1  0  0  0  0
M  END
>  <Mol_ID> (215)
2572

>  <Formula> (215)
C25H22N2O2

>  <MolWeight> (215)
382.45438

>  <Cat> (215)
S7209

>  <Name> (215)
GSK650394

>  <Synonyms> (215)
N/A

>  <Target> (215)
SGK

>  <Form> (215)
free base

>  <CAS> (215)
890842-28-1

>  <URL> (215)
http://selleckchem.com/products/gsk650394.html

$$$$
SecinH3.cdx
csChFnd80/06052515002D

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.4057    1.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7356    2.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0219    3.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22  7  1  0  0  0  0
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 32 33  1  0  0  0  0
 33 29  1  0  0  0  0
M  END
>  <Mol_ID> (216)
2621

>  <Formula> (216)
C24H20N4O4S

>  <MolWeight> (216)
460.505

>  <Cat> (216)
S7685

>  <Name> (216)
SecinH3

>  <Synonyms> (216)
N/A

>  <Target> (216)
cytohesin

>  <Form> (216)
free base

>  <CAS> (216)
853625-60-2

>  <URL> (216)
http://selleckchem.com/products/secinh3.html

$$$$
Combretastatin A4.cdx
csChFnd80/06052515002D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <Mol_ID> (217)
2662

>  <Formula> (217)
C18H20O5

>  <MolWeight> (217)
316.3484

>  <Cat> (217)
S7783

>  <Name> (217)
Combretastatin A4

>  <Synonyms> (217)
N/A

>  <Target> (217)
Microtubule Associated

>  <Form> (217)
free base

>  <CAS> (217)
117048-59-6

>  <URL> (217)
http://selleckchem.com/products/combretastatin-a4.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/06052515002D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (218)
4002

>  <Formula> (218)
C11H6F3NO2S

>  <MolWeight> (218)
273.2310496

>  <Cat> (218)
S8005

>  <Name> (218)
SMI-4a

>  <Synonyms> (218)
TCS PIM-1 4a

>  <Target> (218)
Pim

>  <Form> (218)
free base

>  <CAS> (218)
438190-29-5

>  <URL> (218)
http://selleckchem.com/products/smi-4a.html

$$$$
GW 9508.cdx
csChFnd80/06052515002D

 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
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M  END
>  <Mol_ID> (219)
4006

>  <Formula> (219)
C22H21NO3

>  <MolWeight> (219)
347.40704

>  <Cat> (219)
S8014

>  <Name> (219)
GW9508

>  <Synonyms> (219)
N/A

>  <Target> (219)
GPR

>  <Form> (219)
free base

>  <CAS> (219)
885101-89-3

>  <URL> (219)
http://selleckchem.com/products/gw9508.html

$$$$
NSC23766.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (220)
4013

>  <Formula> (220)
C24H38Cl3N7

>  <MolWeight> (220)
530.96442

>  <Cat> (220)
S8031

>  <Name> (220)
NSC 23766

>  <Synonyms> (220)
N/A

>  <Target> (220)
Rho

>  <Form> (220)
HCl

>  <CAS> (220)
1177865-17-6

>  <URL> (220)
http://selleckchem.com/products/nsc-23766.html

$$$$
Necrostatin-1.cdx
csChFnd80/06052515002D

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    8.4474    6.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (221)
4015

>  <Formula> (221)
C13H13N3OS

>  <MolWeight> (221)
259.32682

>  <Cat> (221)
S8037

>  <Name> (221)
Necrostatin-1

>  <Synonyms> (221)
Nec-1

>  <Target> (221)
Apoptosis related,Autophagy,IDO/TDO,RIP kinase,TNF-alpha

>  <Form> (221)
free base

>  <CAS> (221)
4311-88-0

>  <URL> (221)
http://selleckchem.com/products/necrostatin-1.html

$$$$
GSK3787.cdx
csChFnd80/06052515002D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (222)
4023

>  <Formula> (222)
C15H12ClF3N2O3S

>  <MolWeight> (222)
392.7805896

>  <Cat> (222)
S8025

>  <Name> (222)
GSK3787

>  <Synonyms> (222)
N/A

>  <Target> (222)
PPAR

>  <Form> (222)
free base

>  <CAS> (222)
188591-46-0

>  <URL> (222)
http://selleckchem.com/products/gsk3787.html

$$$$
192441-08-0.cdx
csChFnd80/06052515002D

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M  END
>  <Mol_ID> (223)
4055

>  <Formula> (223)
C10H8BrN5OS

>  <MolWeight> (223)
326.17242

>  <Cat> (223)
S8056

>  <Name> (223)
Lomeguatrib

>  <Synonyms> (223)
PaTrin-2

>  <Target> (223)
DNA alkylator

>  <Form> (223)
free base

>  <CAS> (223)
192441-08-0

>  <URL> (223)
http://selleckchem.com/products/lomeguatrib.html

$$$$
BIX01294 3HCl.cdx
csChFnd80/06052515002D

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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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M  END
>  <Mol_ID> (224)
4255

>  <Formula> (224)
C28H41Cl3N6O2

>  <MolWeight> (224)
600.02314

>  <Cat> (224)
S8006

>  <Name> (224)
BIX 01294

>  <Synonyms> (224)
N/A

>  <Target> (224)
Autophagy,G9a/GLP,Histone Methyltransferase,NSD

>  <Form> (224)
trihydrochloride

>  <CAS> (224)
1392399-03-9

>  <URL> (224)
http://selleckchem.com/products/bix-01294.html

$$$$
