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302962-49-8

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

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CGP-57148B, ST-1571 Mesylate

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PDGFR, c-Kit, Bcr-Abl

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Mesylate

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220127-57-1

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

$$$$
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Bcr-Abl

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Free Base

>  <CAS> (3)
641571-10-0

>  <URL> (3)
http://www.selleckchem.com/products/Nilotinib.html

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (4)
32

>  <Formula> (4)
C23H28N8OS

>  <MolWeight> (4)
464.58642

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S1048

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VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (4)
N/A 

>  <Target> (4)
Aurora Kinase

>  <Form> (4)
Free Base

>  <CAS> (4)
639089-54-6

>  <URL> (4)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/10262011452D

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>  <Mol_ID> (5)
33

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C14H23Cl2N3O

>  <MolWeight> (5)
320.25792

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S1049

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Y-27632 2HCl

>  <Synonyms> (5)
N/A

>  <Target> (5)
ROCK

>  <Form> (5)
Dihydrochloride

>  <CAS> (5)
129830-38-2

>  <URL> (5)
http://www.selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/10262011452D

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>  <Mol_ID> (6)
36

>  <Formula> (6)
C32H29N5O2

>  <MolWeight> (6)
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>  <Cat> (6)
S1055

>  <Name> (6)
Enzastaurin (LY317615)

>  <Synonyms> (6)
N/A 

>  <Target> (6)
PKC 

>  <Form> (6)
Free Base

>  <CAS> (6)
170364-57-5

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

$$$$
untitled.cdx
csChFnd80/10262011452D

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M  END
>  <Mol_ID> (7)
42

>  <Formula> (7)
C22H16N4O3

>  <MolWeight> (7)
384.38744

>  <Cat> (7)
S1067

>  <Name> (7)
SB 431542

>  <Synonyms> (7)
N/A

>  <Target> (7)
TGF-beta/Smad

>  <Form> (7)
Free Base

>  <CAS> (7)
301836-41-9

>  <URL> (7)
http://www.selleckchem.com/products/SB-431542.html

$$$$
NVP-ADW742.cdx
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475488-23-4

>  <URL> (8)
http://www.selleckchem.com/products/NVP-ADW742.html

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Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

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827318-97-8

>  <URL> (9)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

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Bcr-Abl, JAK, Aurora Kinase

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Free Base

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896466-04-9

>  <URL> (10)
http://www.selleckchem.com/products/AT9283.html

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ROCK

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1226056-71-8

>  <URL> (11)
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943319-70-8

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1020172-07-9

>  <URL> (16)
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TGF-beta/Smad

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Free Base

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452342-67-5

>  <URL> (17)
http://www.selleckchem.com/products/gw788388.html

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N/A 

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TGF-beta/Smad 

>  <Form> (18)
Free Base

>  <CAS> (18)
694433-59-5

>  <URL> (18)
http://www.selleckchem.com/products/sb-505124.html

$$$$
Sotrastaurin£¨AEB071£©.cdx
csChFnd80/10262011452D

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PKC 

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Free Base

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425637-18-9

>  <URL> (19)
http://www.selleckchem.com/products/sotrastaurin-aeb071.html

$$$$
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>  <Formula> (20)
C15H10O7

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Quercetin (Sophoretin)

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117-39-5

>  <URL> (20)
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$$$$
KW2449.cdx
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   11.2316    3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (21)
655

>  <Formula> (21)
C20H20N4O

>  <MolWeight> (21)
332.399

>  <Cat> (21)
S2158

>  <Name> (21)
KW 2449

>  <Synonyms> (21)
N/A

>  <Target> (21)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (21)
Free Base

>  <CAS> (21)
1000669-72-6

>  <URL> (21)
http://www.selleckchem.com/products/KW-2449.html

$$$$
Daphnetin.cdx
csChFnd80/10262011452D

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M  END
>  <Mol_ID> (22)
659

>  <Formula> (22)
C9H6O4

>  <MolWeight> (22)
178.14154

>  <Cat> (22)
S2554

>  <Name> (22)
Daphnetin

>  <Synonyms> (22)
N/A 

>  <Target> (22)
DNA/RNA Synthesis

>  <Form> (22)
Free Base

>  <CAS> (22)
486-35-1

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

$$$$
NVP-BHG712.cdx
csChFnd80/10262011452D

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 18 13  1  0  0  0  0
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 23 12  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 28  2  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (23)
679

>  <Formula> (23)
C26H20F3N7O

>  <MolWeight> (23)
503.4785096

>  <Cat> (23)
S2202

>  <Name> (23)
NVP-BHG712

>  <Synonyms> (23)
N/A

>  <Target> (23)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (23)
Free Base

>  <CAS> (23)
940310-85-0

>  <URL> (23)
http://www.selleckchem.com/products/NVP-BHG712.html

$$$$
Hesperetin.cdx
csChFnd80/10262011452D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (24)
731

>  <Formula> (24)
C16H14O6

>  <MolWeight> (24)
302.27876

>  <Cat> (24)
S2308

>  <Name> (24)
Hesperetin

>  <Synonyms> (24)
N/A

>  <Target> (24)
Histamine Receptor

>  <Form> (24)
Free Base

>  <CAS> (24)
520-33-2

>  <URL> (24)
http://www.selleckchem.com/products/Hesperetin.html

$$$$
Myricitrin.cdx
csChFnd80/10262011452D

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 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (25)
746

>  <Formula> (25)
C21H20O12

>  <MolWeight> (25)
464.3763

>  <Cat> (25)
S2327

>  <Name> (25)
Myricitrin (Myricitrine)

>  <Synonyms> (25)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (25)
PKC

>  <Form> (25)
Free Base

>  <CAS> (25)
17912-87-7

>  <URL> (25)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Oxymatrine.cdx
csChFnd80/10262011452D

 23 26  0  0  0  0  0  0  0  0999 V2000
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  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
 17 18  2  0  0  0  0
 11 19  1  1  0  0  0
  5 20  1  6  0  0  0
 10 21  1  6  0  0  0
  6 22  1  6  0  0  0
  4 23  1  0  0  0  0
M  END
>  <Mol_ID> (26)
755

>  <Formula> (26)
C15H24N2O2

>  <MolWeight> (26)
264.36326

>  <Cat> (26)
S2338

>  <Name> (26)
Oxymatrine (Matrine N-oxide)

>  <Synonyms> (26)
Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide 

>  <Target> (26)
Others

>  <Form> (26)
Free Base

>  <CAS> (26)
16837-52-8 

>  <URL> (26)
http://www.selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

$$$$

csChFnd80/10262011452D

 34 34  0  0  0  0  0  0  0  0999 V2000
    2.8002   -5.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002   -7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -7.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2335   -7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2335   -5.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502   -7.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6668   -7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6668   -5.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502   -4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8835   -7.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1002   -5.6027    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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  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> (27)
802

>  <Formula> (27)
C22H30Cl2N4O6

>  <MolWeight> (27)
517.4028

>  <Cat> (27)
S2485

>  <Name> (27)
Mitoxantrone 2HCl

>  <Synonyms> (27)
NSC-301739

>  <Target> (27)
Topoisomerase

>  <Form> (27)
Dihydrochloride

>  <CAS> (27)
70476-82-3

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

$$$$
PP121.cdx
csChFnd80/10262011452D

 24 28  0  0  0  0  0  0  0  0999 V2000
    7.1581    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1581    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3706    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5830    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5830    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3706    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9145    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9145    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7247    2.0563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8574    2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4247    4.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0247    4.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    2.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1326    3.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  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 10  1  0  0  0  0
  1 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 12 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 13  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <Mol_ID> (28)
858

>  <Formula> (28)
C17H17N7

>  <MolWeight> (28)
319.36378

>  <Cat> (28)
S2622

>  <Name> (28)
PP-121

>  <Synonyms> (28)
N/A

>  <Target> (28)
DNA-PK, mTOR, PDGF

>  <Form> (28)
Free Base

>  <CAS> (28)
1092788-83-4

>  <URL> (28)
http://www.selleckchem.com/products/PP121.html

$$$$
WP1130.cdx
csChFnd80/10262011452D

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.4965    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    6.0602    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1143    3.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 15 13  1  1  0  0  0
 15 16  1  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
 16 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 16  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (29)
861

>  <Formula> (29)
C19H18BrN3O

>  <MolWeight> (29)
384.26972

>  <Cat> (29)
S2243

>  <Name> (29)
Degrasyn (WP1130)

>  <Synonyms> (29)
N/A

>  <Target> (29)
DUB, Bcr-Abl

>  <Form> (29)
Free Base

>  <CAS> (29)
856243-80-6

>  <URL> (29)
http://www.selleckchem.com/products/WP1130.html

$$$$
LY2157299.cdx
csChFnd80/10262011452D

 28 32  0  0  0  0  0  0  0  0999 V2000
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    0.0000    4.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9936    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9936    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1262    5.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6936    6.3544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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937174-76-0

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153436-53-4

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1240

>  <Formula> (35)
C18H14N4O5S

>  <MolWeight> (35)
398.39256

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S1576

>  <Name> (35)
Sulfasalazine (Azulfidine)

>  <Synonyms> (35)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (35)
COX,NF-¦ÊB

>  <Form> (35)
Free Base

>  <CAS> (35)
599-79-1

>  <URL> (35)
http://www.selleckchem.com/products/Sulfasalazine(Azulfidine).html

$$$$
GNF-2.cdx
csChFnd80/10262011452D

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1244

>  <Formula> (36)
C18H13F3N4O2

>  <MolWeight> (36)
374.3166296

>  <Cat> (36)
S2899

>  <Name> (36)
GNF-2

>  <Synonyms> (36)
N/A

>  <Target> (36)
Bcr-Abl

>  <Form> (36)
Free Base

>  <CAS> (36)
778270-11-4

>  <URL> (36)
http://www.selleckchem.com/products/gnf-2.html

$$$$
NS-187.cdx
csChFnd80/10262011452D

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>  <Mol_ID> (37)
1745

>  <Formula> (37)
C30H31F3N8O

>  <MolWeight> (37)
576.6153496

>  <Cat> (37)
S1369

>  <Name> (37)
Bafetinib (INNO-406)

>  <Synonyms> (37)
NS-187

>  <Target> (37)
Abl,Lyn

>  <Form> (37)
Free Base

>  <CAS> (37)
859212-16-1

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

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/10262011452D

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M  END
>  <Mol_ID> (38)
1748

>  <Formula> (38)
C37H42Cl2N2O6

>  <MolWeight> (38)
681.64518

>  <Cat> (38)
S3609

>  <Name> (38)
Berbamine (dihydrochloride)

>  <Synonyms> (38)
N/A

>  <Target> (38)
NF-¦ÊB,bcr/abl

>  <Form> (38)
dihydrochloride

>  <CAS> (38)
6078-17-7

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

$$$$
S3616 Asiaticoside.cdx
csChFnd80/10262011452D

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M  END
>  <Mol_ID> (39)
1763

>  <Formula> (39)
C48H78O19

>  <MolWeight> (39)
959.12152

>  <Cat> (39)
S3616

>  <Name> (39)
Asiaticoside

>  <Synonyms> (39)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (39)
Others

>  <Form> (39)
free base

>  <CAS> (39)
16830-15-2

>  <URL> (39)
http://www.selleckchem.com/products/asiaticoside.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/10262011452D

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M  END
>  <Mol_ID> (40)
1788

>  <Formula> (40)
C11H8O3

>  <MolWeight> (40)
188.17942

>  <Cat> (40)
S3661

>  <Name> (40)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (40)
N/A

>  <Target> (40)
PKC

>  <Form> (40)
free base

>  <CAS> (40)
2348-82-5

>  <URL> (40)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/10262011452D

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M  END
>  <Mol_ID> (41)
1892

>  <Formula> (41)
C19H20O5

>  <MolWeight> (41)
328.3591

>  <Cat> (41)
S3819

>  <Name> (41)
Decursinol angelate

>  <Synonyms> (41)
N/A

>  <Target> (41)
PKC

>  <Form> (41)
free base

>  <CAS> (41)
130848-06-5

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

$$$$
LY2109761.cdx
csChFnd80/10262011452D

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700874-71-1 

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TGF-beta/Smad

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Free Base

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396129-53-6

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1421783-64-3

>  <URL> (44)
http://www.selleckchem.com/products/gzd824.html

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Methyl-Hesperidin

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free base

>  <CAS> (46)
 11013-97-1

$$$$
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csChFnd80/10262011452D

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>  <Target> (47)
Akt

>  <Form> (47)
Free Base

>  <CAS> (47)
1143532-39-1

>  <URL> (47)
http://www.selleckchem.com/products/azd5363.html

$$$$
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csChFnd80/10262011452D

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2531

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C11H10N2O2S

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>  <Synonyms> (48)
N/A

>  <Target> (48)
Others

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Free Base

>  <CAS> (48)
832115-62-5

>  <URL> (48)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/10262011452D

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>  <Mol_ID> (49)
2629

>  <Formula> (49)
C17H13N5

>  <MolWeight> (49)
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>  <Cat> (49)
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>  <Name> (49)
RepSox

>  <Synonyms> (49)
E-616452, SJN 2511

>  <Target> (49)
TGF-beta/Smad

>  <Form> (49)
Free Base

>  <CAS> (49)
446859-33-2

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

$$$$
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M  END
>  <Mol_ID> (50)
2640

>  <Formula> (50)
C26H27N5O5S2

>  <MolWeight> (50)
553.65308

>  <Cat> (50)
S7207

>  <Name> (50)
Ro 31-8220 Mesylate

>  <Synonyms> (50)
Bisindolylmaleimide IX Mesylate

>  <Target> (50)
PKC

>  <Form> (50)
Mesylate

>  <CAS> (50)
138489-18-6

>  <URL> (50)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/10262011452D

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M  END
>  <Mol_ID> (51)
2650

>  <Formula> (51)
C24H27Cl2N5O

>  <MolWeight> (51)
472.41008

>  <Cat> (51)
S7306

>  <Name> (51)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (51)
BML-275,Compound C

>  <Target> (51)
AMPK

>  <Form> (51)
Dihydrochloride

>  <CAS> (51)
1219168-18-9

>  <URL> (51)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
LM-3151 K 02288.cdx
csChFnd80/10262011452D

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M  END
>  <Mol_ID> (52)
2752

>  <Formula> (52)
C20H20N2O4

>  <MolWeight> (52)
352.3838

>  <Cat> (52)
S7359

>  <Name> (52)
K02288

>  <Synonyms> (52)
N/A

>  <Target> (52)
TGF-beta/Smad

>  <Form> (52)
Free Base

>  <CAS> (52)
1431985-92-0

>  <URL> (52)
http://www.selleckchem.com/products/k02288.html

$$$$
LDN193189 HCl.cdx
csChFnd80/10262011452D

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M  END
>  <Mol_ID> (53)
2773

>  <Formula> (53)
C25H23ClN6

>  <MolWeight> (53)
442.94332

>  <Cat> (53)
S7507

>  <Name> (53)
LDN193189 HCl

>  <Synonyms> (53)
N/A

>  <Target> (53)
TGF-beta/Smad

>  <Form> (53)
Hydrochloride

>  <CAS> (53)
1062368-62-0

>  <URL> (53)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
ML347.cdx
csChFnd80/10262011452D

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TGF-beta/Smad

>  <Form> (54)
Free Base

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1062368-49-3

>  <URL> (54)
http://www.selleckchem.com/products/ml347.html

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/10262011452D

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2790

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C17H22Cl2N2O3S

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S7333

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K-Ras(G12C) inhibitor 6

>  <Synonyms> (55)
N/A

>  <Target> (55)
Rho

>  <Form> (55)
Free Base

>  <CAS> (55)
No

>  <URL> (55)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-6.html

$$$$
DMH1.cdx
csChFnd80/10262011452D

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2791

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C24H20N4O

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380.4418

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S7146

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DMH1

>  <Synonyms> (56)
N/A

>  <Target> (56)
TGF-beta/Smad

>  <Form> (56)
Free Base

>  <CAS> (56)
1206711-16-1

>  <URL> (56)
http://www.selleckchem.com/products/dmh1.html

$$$$
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C25H22N6

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LDN-212854

>  <Synonyms> (57)
BMP Inhibitor III

>  <Target> (57)
TGF-beta/Smad

>  <Form> (57)
Free Base

>  <CAS> (57)
1432597-26-6

>  <URL> (57)
http://www.selleckchem.com/products/ldn-212854.html

$$$$
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2807

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C20H17F3N4O3

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GNF-5

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N/A

>  <Target> (58)
Bcr-Abl

>  <Form> (58)
Free Base

>  <CAS> (58)
778277-15-9

>  <URL> (58)
http://www.selleckchem.com/products/gnf-5.html

$$$$
PD173955 .cdx
csChFnd80/10262011452D

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>  <Mol_ID> (59)
2859

>  <Formula> (59)
C21H18Cl2N4OS

>  <MolWeight> (59)
445.36482

>  <Cat> (59)
S7269

>  <Name> (59)
PD173955

>  <Synonyms> (59)
N/A 

>  <Target> (59)
Bcr-Abl

>  <Form> (59)
Free Base

>  <CAS> (59)
260415-63-2

>  <URL> (59)
http://www.selleckchem.com/products/pd173955.html

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/10262011452D

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M  END
>  <Mol_ID> (60)
2863

>  <Formula> (60)
C16H21ClIN3O4S

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513.77811

>  <Cat> (60)
S7332

>  <Name> (60)
K-Ras(G12C) inhibitor 9

>  <Synonyms> (60)
N/A

>  <Target> (60)
Rho

>  <Form> (60)
Free Base

>  <CAS> (60)
1469337-91-4

>  <URL> (60)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

$$$$
Go6976.cdx
csChFnd80/10262011452D

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>  <Mol_ID> (61)
2868

>  <Formula> (61)
C24H18N4O

>  <MolWeight> (61)
378.42592

>  <Cat> (61)
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Go6976

>  <Synonyms> (61)
N/A

>  <Target> (61)
PKC

>  <Form> (61)
Free Base

>  <CAS> (61)
136194-77-9

>  <URL> (61)
http://www.selleckchem.com/products/go6976.html

$$$$
6H05.cdx
csChFnd80/10262011452D

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>  <Mol_ID> (62)
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>  <Target> (62)
Rho

>  <Form> (62)
Free Base

>  <CAS> (62)
No

>  <URL> (62)
http://www.selleckchem.com/products/6h05.html

$$$$
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csChFnd80/10262011452D

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Akt

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1047644-62-1

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LDN-214117

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TGF-beta/Smad

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Free Base

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1627503-67-6

>  <URL> (73)
http://www.selleckchem.com/products/ldn-214117.html

$$$$
Dorsomorphin.cdx
csChFnd80/10262011452D

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C24H25N5O

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Dorsomorphin (Compound C)

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>  <Target> (74)
AMPK

>  <Form> (74)
Free Base

>  <CAS> (74)
866405-64-3

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

$$$$
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csChFnd80/10262011452D

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C27H21F3N8O

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Radotinib

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IY-5511

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Bcr-Abl

>  <Form> (75)
Free Base

>  <CAS> (75)
926037-48-1

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

$$$$
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csChFnd80/10262011452D

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Ripasudil (K-115)

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N/A

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ROCK

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Hydrochloride dihydrate

>  <CAS> (76)
887375-67-9

>  <URL> (76)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
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GNF-7

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N/A

>  <Target> (77)
Bcr-Abl

>  <Form> (77)
Free Base

>  <CAS> (77)
839706-07-9

>  <URL> (77)
http://www.selleckchem.com/products/gnf-7.html

$$$$
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ROCK

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Free Base

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911417-87-3

>  <URL> (78)
http://www.selleckchem.com/products/kd025-(slx-2119).html

$$$$
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>  <CAS> (79)
55837-20-2

>  <URL> (79)
http://www.selleckchem.com/products/halofuginone.html

$$$$
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M  END
>  <Mol_ID> (80)
3219

>  <Formula> (80)
C15H11ClF3N5O4S

>  <MolWeight> (80)
449.7921496

>  <Cat> (80)
S8303

>  <Name> (80)
Kobe0065

>  <Synonyms> (80)
N/A

>  <Target> (80)
Rho

>  <Form> (80)
Free Base

>  <CAS> (80)
436133-68-5

>  <URL> (80)
http://www.selleckchem.com/products/kobe0065.html

$$$$
LY333531.cdx
csChFnd80/10262011452D

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>  <Mol_ID> (81)
3257

>  <Formula> (81)
C28H29ClN4O3

>  <MolWeight> (81)
505.00786

>  <Cat> (81)
S7663

>  <Name> (81)
LY333531 HCl

>  <Synonyms> (81)
Ruboxistaurin

>  <Target> (81)
PKC

>  <Form> (81)
hydrochloride

>  <CAS> (81)
169939-93-9

>  <URL> (81)
http://www.selleckchem.com/products/ly333531.html

$$$$
SIS3.cdx
csChFnd80/10262011452D

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>  <Mol_ID> (82)
3261

>  <Formula> (82)
C28H28ClN3O3

>  <MolWeight> (82)
489.99322

>  <Cat> (82)
S7959

>  <Name> (82)
SIS3 HCl

>  <Synonyms> (82)
N/A

>  <Target> (82)
TGF-beta/Smad

>  <Form> (82)
hydrochloride

>  <CAS> (82)
521984-48-5

>  <URL> (82)
http://www.selleckchem.com/products/sis3.html

$$$$
Alantolactone.cdx
csChFnd80/10262011452D

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>  <Mol_ID> (83)
3300

>  <Formula> (83)
C15H20O2

>  <MolWeight> (83)
232.3181

>  <Cat> (83)
S8318

>  <Name> (83)
Alantolactone

>  <Synonyms> (83)
helenin, helenine, Eupatal

>  <Target> (83)
Others

>  <Form> (83)
Free Base

>  <CAS> (83)
546-43-0

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

$$$$
GSK269962.cdx
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    8.6061    4.9620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    1.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019    0.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    3.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6519    2.6967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9834    3.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9834    4.5293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6519    4.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2193    6.2934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4800    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 23 25  1  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 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 33 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 37  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (84)
3312

>  <Formula> (84)
C29H31ClN8O5

>  <MolWeight> (84)
607.06004

>  <Cat> (84)
S7687

>  <Name> (84)
GSK269962 HCl

>  <Synonyms> (84)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (84)
ROCK

>  <Form> (84)
hydrochloride

>  <CAS> (84)
850664-21-0(free base)

>  <URL> (84)
http://www.selleckchem.com/products/gsk269962.html

$$$$
ML-7.cdx
csChFnd80/10262011452D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3373   10.0669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0644    8.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760    7.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3137    4.1020    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 10  2  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (85)
3328

>  <Formula> (85)
C15H18ClIN2O2S

>  <MolWeight> (85)
452.73809

>  <Cat> (85)
S8388

>  <Name> (85)
ML-7 HCl

>  <Synonyms> (85)
N/A

>  <Target> (85)
Others

>  <Form> (85)
hydrochloride

>  <CAS> (85)
110448-33-4

>  <URL> (85)
http://www.selleckchem.com/products/ml-7.html

$$$$
Y-39983 HCl.cdx
csChFnd80/10262011452D

 24 24  0  0  0  0  0  0  0  0999 V2000
    9.6794    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8919    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1043    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8919    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6390    3.2632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2085    1.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6008    2.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3168    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7416    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  1  0  0  0
M  END
>  <Mol_ID> (86)
3339

>  <Formula> (86)
C16H18Cl2N4O

>  <MolWeight> (86)
353.24632

>  <Cat> (86)
S7935

>  <Name> (86)
Y-39983 HCl

>  <Synonyms> (86)
Y-33075 HCl

>  <Target> (86)
ROCK

>  <Form> (86)
dihydrochloride

>  <CAS> (86)
173897-44-4

>  <URL> (86)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/10262011452D

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.4619    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4619    7.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    7.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743   10.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495    5.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4619    5.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    5.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 12 14  1  0  0  0  0
 14 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
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 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (87)
3343

>  <Formula> (87)
C21H20N2O3S

>  <MolWeight> (87)
380.4601

>  <Cat> (87)
S8448

>  <Name> (87)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (87)
N/A

>  <Target> (87)
ROCK

>  <Form> (87)
Free Base

>  <CAS> (87)
557782-81-7

>  <URL> (87)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/10262011452D

 23 23  0  0  0  0  0  0  0  0999 V2000
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    4.2000    7.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    8.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    9.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6876    5.3462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9961    4.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1777    0.3646    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7298    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  6  1  2  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  2  0  0  0  0
 10  1  1  0  0  0  0
  7 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
  1  2  1  0  0  0  0
  5  6  1  0  0  0  0
  4  3  1  0  0  0  0
A   23
xH2O
M  END
>  <Mol_ID> (88)
3395

>  <Formula> (88)
C14H18ClN3O3RS

>  <MolWeight> (88)
343.82902

>  <Cat> (88)
S8208

>  <Name> (88)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (88)
N/A

>  <Target> (88)
ROCK

>  <Form> (88)
hydrochloride

>  <CAS> (88)
155558-32-0 (HCl salt)

>  <URL> (88)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
GSK180736A.cdx
csChFnd80/10262011452D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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ROCK

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817194-38-0

>  <URL> (89)
http://www.selleckchem.com/products/gsk180736a.html

$$$$
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csChFnd80/10262011452D

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3428

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C22H29ClN4O3

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ARS-853 (ARS853)

>  <Synonyms> (90)
N/A

>  <Target> (90)
K-Ras(G12C)

>  <Form> (90)
free base

>  <CAS> (90)
1629268-00-3

>  <URL> (90)
http://www.selleckchem.com/products/ars-853.html

$$$$
Asciminib(ABL001).cdx
csChFnd80/10262011452D

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>  <Mol_ID> (91)
3684

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C20H18ClF2N5O3

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>  <Name> (91)
Asciminib (ABL001)

>  <Synonyms> (91)
N/A

>  <Target> (91)
Bcr-Abl

>  <Form> (91)
free base

>  <CAS> (91)
1492952-76-7

>  <URL> (91)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/10262011452D

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>  <Mol_ID> (92)
3925

>  <Formula> (92)
C29H36O15

>  <MolWeight> (92)
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>  <Cat> (92)
S5458

>  <Name> (92)
Verbascoside

>  <Synonyms> (92)
Acteoside, Kusaginin

>  <Target> (92)
Immunology & Inflammation related

>  <Form> (92)
free base

>  <CAS> (92)
61276-17-3

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

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/10262011452D

 40 43  0  0  0  0  0  0  0  0999 V2000
   12.1246    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  9  1  0  0  0  0
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M  END
>  <Mol_ID> (93)
4026

>  <Formula> (93)
C28H23ClF3N7O

>  <MolWeight> (93)
565.9767296

>  <Cat> (93)
S5205

>  <Name> (93)
Nilotinib hydrochloride

>  <Synonyms> (93)
AMN-107 HCl

>  <Target> (93)
Bcr-Abl

>  <Form> (93)
hydrochloride 

>  <CAS> (93)
923288-95-3

>  <URL> (93)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$

csChFnd80/10262011452D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.7374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (94)
4258

>  <Formula> (94)
C14H11ClN4S2

>  <MolWeight> (94)
334.84694

>  <Cat> (94)
S8700

>  <Name> (94)
TP0427736 HCl

>  <Synonyms> (94)
N/A

>  <Target> (94)
ALK

>  <Form> (94)
hydrochloride

>  <CAS> (94)
864374-00-5

>  <URL> (94)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/10262011452D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 13  1  1  0  0  0  0
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 14  6  1  0  0  0  0
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 13 20  1  6  0  0  0
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 16 25  1  0  0  0  0
M  END
>  <Mol_ID> (95)
4349

>  <Formula> (95)
C20H28O5

>  <MolWeight> (95)
348.43332

>  <Cat> (95)
S9101

>  <Name> (95)
Ingenol

>  <Form> (95)
free base

>  <CAS> (95)
30220-46-3

$$$$
S9141 Berbamine.cdx
csChFnd80/10262011452D

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M  END
>  <Mol_ID> (96)
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C37H40N2O6

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Berbamine

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free base

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478-61-5

$$$$
S9288 Casticin.cdx
csChFnd80/10262011452D

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>  <Mol_ID> (97)
4492

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C19H18O8

>  <MolWeight> (97)
374.34142

>  <Cat> (97)
S9288

>  <Name> (97)
Casticin

>  <Form> (97)
free base

>  <CAS> (97)
479-91-4

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/10262011452D

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4670

>  <Formula> (98)
C22H27Cl2N7O2S

>  <MolWeight> (98)
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>  <Cat> (98)
S5254

>  <Name> (98)
Dasatinib hydrochloride

>  <Synonyms> (98)
BMS 354825 hydrochloride

>  <Target> (98)
Abl/Src

>  <Form> (98)
hydrochloride 

>  <CAS> (98)
854001-07-3

>  <URL> (98)
http://selleckchem.com/products/.html

$$$$

csChFnd80/10262011452D

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>  <Mol_ID> (99)
4863

>  <Formula> (99)
C24H29N5O3

>  <MolWeight> (99)
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>  <Cat> (99)
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>  <Name> (99)
LY 3200882 

>  <Synonyms> (99)
N/A

>  <Target> (99)
TGF-beta/Smad

>  <Form> (99)
Free Base

>  <CAS> (99)
1898283-02-7

>  <URL> (99)
http://www.selleckchem.com/products/ly3200882.html

$$$$

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>  <MolWeight> (100)
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>  <Cat> (100)
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>  <Name> (100)
Chelerythrine Chloride

>  <Synonyms> (100)
N/A

>  <Target> (100)
PKC

>  <Form> (100)
Chloride

>  <CAS> (100)
3895-92-9

>  <URL> (100)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

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>  <Mol_ID> (101)
5330

>  <Formula> (101)
C23H19NO3

>  <MolWeight> (101)
357.40186

>  <Cat> (101)
S6424

>  <Name> (101)
TAS-301

>  <Synonyms> (101)
N/A

>  <Target> (101)
Others

>  <Form> (101)
Free Base

>  <CAS> (101)
193620-69-8

>  <URL> (101)
http://www.selleck.cn/products/tas-301.html

$$$$

csChFnd80/10262011452D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (102)
6694

>  <Formula> (102)
C16H14N2O2S2

>  <MolWeight> (102)
330.42456

>  <Cat> (102)
S6536

>  <Name> (102)
TTP 22

>  <Synonyms> (102)
N/A

>  <Target> (102)
Casein Kinase

>  <Form> (102)
free base

>  <CAS> (102)
329907-28-0

>  <URL> (102)
http://www.selleck.cn/products/ttp-22.html

$$$$

csChFnd80/10262011452D

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M  END
>  <Mol_ID> (103)
6716

>  <Formula> (103)
C20H25F3N6O3

>  <MolWeight> (103)
454.4461096

>  <Cat> (103)
S6577

>  <Name> (103)
PKC-theta inhibitor

>  <Synonyms> (103)
N/A

>  <Target> (103)
PKC

>  <Form> (103)
free base

>  <CAS> (103)
736048-65-0

>  <URL> (103)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/10262011452D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (104)
6798

>  <Formula> (104)
C18H13ClF2N6O

>  <MolWeight> (104)
402.7852264

>  <Cat> (104)
S6636

>  <Name> (104)
Azaindole 1 (TC-S 7001)

>  <Synonyms> (104)
N/A

>  <Target> (104)
ROCK

>  <Form> (104)
Free Base

>  <CAS> (104)
867017-68-3

>  <URL> (104)
http://www.selleck.cn/products/azaindole-1.html

$$$$

csChFnd80/10262011452D

 31 34  0  0  0  0  0  0  0  0999 V2000
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1874276-76-2

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>  <CAS> (107)
1315355-93-1

>  <URL> (107)
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>  <CAS> (108)
123-78-4

>  <URL> (108)
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 19 23  1  0  0  0  0
 22  5  1  0  0  0  0
M  END
>  <Mol_ID> (109)
6884

>  <Formula> (109)
C31H34N4O2

>  <MolWeight> (109)
494.62726

>  <Cat> (109)
S2234

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>  <Synonyms> (109)
N/A

>  <Target> (109)
TGF-beta/Smad

>  <Form> (109)
Free Base

>  <CAS> (109)
334951-90-5

>  <URL> (109)
http://www.selleck.cn/products/bibf-0775.html

$$$$

csChFnd80/10262011452D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (110)
6896

>  <Formula> (110)
C20H31N3O

>  <MolWeight> (110)
329.47964

>  <Cat> (110)
S6654

>  <Name> (110)
SRI-011381

>  <Synonyms> (110)
N/A

>  <Target> (110)
TGF-beta/Smad

>  <Form> (110)
Free Base

>  <CAS> (110)
1629138-41-5

>  <URL> (110)
http://www.selleck.cn/products/sri-011381.html

$$$$

csChFnd80/10262011452D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 14  7  2  0  0  0  0
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 17 18  1  0  0  0  0
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 26 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
>  <Mol_ID> (111)
6909

>  <Formula> (111)
C23H19ClF2N2O3

>  <MolWeight> (111)
444.8583664

>  <Cat> (111)
S6673

>  <Name> (111)
CCG-222740

>  <Synonyms> (111)
N/A

>  <Target> (111)
Rho

>  <Form> (111)
Free Base

>  <CAS> (111)
1922098-69-8

>  <URL> (111)
http://www.selleck.cn/products/ccg-222740.html

$$$$

csChFnd80/10262011452D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10 17  2  0  0  0  0
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 13 18  1  0  0  0  0
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 14 20  2  0  0  0  0
 15 18  2  0  0  0  0
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 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
>  <Mol_ID> (112)
6993

>  <Formula> (112)
C19H19N5

>  <MolWeight> (112)
317.38766

>  <Cat> (112)
S2642

>  <Name> (112)
1-Naphthyl PP1(1-NA-PP1)

>  <Synonyms> (112)
N/A

>  <Target> (112)
Src

>  <Form> (112)
Free Base

>  <CAS> (112)
221243-82-9

>  <URL> (112)
http://www.selleckchem.com/products/1-na-pp1.html

$$$$

csChFnd80/10262011452D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (113)
6996

>  <Formula> (113)
C20H13FN4O2

>  <MolWeight> (113)
360.3412232

>  <Cat> (113)
S5183

>  <Name> (113)
PD 169316

>  <Synonyms> (113)
N/A

>  <Target> (113)
p38 MAPK

>  <Form> (113)
Free Base

>  <CAS> (113)
152121-53-4

>  <URL> (113)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/10262011452D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (114)
7075

>  <Formula> (114)
C14H10BrNOS

>  <MolWeight> (114)
320.2043

>  <Cat> (114)
S0523

>  <Name> (114)
SB?4

>  <Synonyms> (114)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (114)
TGF-beta/Smad

>  <Form> (114)
Free Base

>  <CAS> (114)
100874-08-6

>  <URL> (114)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/10262011452D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 25 20  1  0  0  0  0
 17 26  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 17  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (115)
7107

>  <Formula> (115)
C25H19N5S

>  <MolWeight> (115)
421.51686

>  <Cat> (115)
S7692

>  <Name> (115)
A-83-01

>  <Synonyms> (115)
N/A

>  <Target> (115)
ALK

>  <Form> (115)
Free Base

>  <CAS> (115)
909910-43-6

>  <URL> (115)
http://www.selleckchem.com/products/a-83-01.html

$$$$

csChFnd80/10262011452D

 38 41  0  0  0  0  0  0  0  0999 V2000
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   12.7411    1.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1200    1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8795    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3976    2.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0218    2.7395    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
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 35 36  2  0  0  0  0
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  1 17  1  0  0  0  0
 31 38  1  0  0  0  0
M  END
>  <Mol_ID> (116)
7110

>  <Formula> (116)
C30H28O8

>  <MolWeight> (116)
516.53852

>  <Cat> (116)
S7862

>  <Name> (116)
Rottlerin

>  <Synonyms> (116)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (116)
PKC

>  <Form> (116)
Free Base

>  <CAS> (116)
82-08-6

>  <URL> (116)
http://www.selleckchem.com/products/rottlerin.html

$$$$

csChFnd80/10262011452D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10  1  1  0  0  0  0
  3 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (117)
7185

>  <Formula> (117)
C23H40N2O3

>  <MolWeight> (117)
392.5753

>  <Cat> (117)
S0752

>  <Name> (117)
AUDA

>  <Target> (117)
Epoxide Hydrolase

>  <Form> (117)
free base

>  <CAS> (117)
479413-70-2

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

$$$$

csChFnd80/10262011452D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  8  2  1  1  0  0  0
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 10  4  1  1  0  0  0
 11  5  1  6  0  0  0
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 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (118)
7217

>  <Formula> (118)
C7H14O6

>  <MolWeight> (118)
194.18246

>  <Cat> (118)
S3223

>  <Name> (118)
L-Quebrachitol

>  <Target> (118)
TGF-beta/Smad

>  <Form> (118)
free base

>  <CAS> (118)
642-38-6

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

$$$$

csChFnd80/10262011452D

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.4907    9.9985    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0907    9.9985    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.2725    7.8306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7559    6.3968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178    5.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963    8.4781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    2.1338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3695    6.3967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3110    3.5629    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3110    2.1047    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8309    3.5338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5793    4.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5793    1.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1013    4.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0432    1.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1013    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0432    4.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1067    5.6674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2556    2.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2556    3.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    6.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1067    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0208    5.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5295    4.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3583    7.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    7.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0843    8.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2780    6.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5409    5.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    5.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6208    8.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    6.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4139    7.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4822    8.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9656    5.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1853    9.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3 28  1  0  0  0  0
  3 34  1  0  0  0  0
  4 29  1  0  0  0  0
  4 35  1  0  0  0  0
  5 32  1  0  0  0  0
  5 36  1  0  0  0  0
  6 33  1  0  0  0  0
  6 37  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8 18  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  1  0  0  0
 10 13  1  0  0  0  0
 10 16  1  6  0  0  0
 11 12  1  1  0  0  0
 11 17  1  0  0  0  0
 18 14  1  6  0  0  0
 15 19  1  0  0  0  0
 16 22  1  0  0  0  0
 17 20  1  0  0  0  0
 17 23  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  2  0  0  0  0
 21 26  1  0  0  0  0
 21 30  2  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
 28 29  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <Mol_ID> (119)
7227

>  <Formula> (119)
C29H42Cl2N2O4

>  <MolWeight> (119)
553.56078

>  <Cat> (119)
S3239

>  <Name> (119)
Emetine Dihydrochloride

>  <Target> (119)
HIF

>  <Form> (119)
Dihydrochloride

>  <CAS> (119)
316-42-7

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

$$$$

csChFnd80/10262011452D

 38 45  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0000    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
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5976    0.0000 C   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
    4.8455    9.7903    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  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  6  1  0  0  0  0
 18 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 19  2  0  0  0  0
 16 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 15 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 24  1  0  0  0  0
 21 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 13 32  1  0  0  0  0
 11 33  1  0  0  0  0
  3 34  1  0  0  0  0
  1 35  1  0  0  0  0
 23 36  1  0  0  0  0
  7 37  2  0  0  0  0
 25 38  2  0  0  0  0
M  END
>  <Mol_ID> (120)
7256

>  <Formula> (120)
C30H16O8

>  <MolWeight> (120)
504.44324

>  <Cat> (120)
S3273

>  <Name> (120)
Hypericin

>  <Target> (120)
MAO

>  <Form> (120)
free base

>  <CAS> (120)
548-04-9

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

$$$$

csChFnd80/10262011452D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3666    2.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8528    7.0576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792    9.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    2.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    4.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    7.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5789    6.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    0.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5789    4.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    4.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    6.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3441    8.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6013    9.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8640    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    4.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 17  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  1  0  0  0  0
  6 20  2  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (121)
7270

>  <Formula> (121)
C19H12O7

>  <MolWeight> (121)
352.29438

>  <Cat> (121)
S3289

>  <Name> (121)
Daphnoretin

>  <Target> (121)
PKC

>  <Form> (121)
free base

>  <CAS> (121)
2034-69-7

>  <URL> (121)
http://www.selleckchem.com/products/daphnoretin.html

$$$$
