Bosutinib (SKI-606).cdx
csChFnd80/09242411012D

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>  <Mol_ID> (1)
9

>  <Formula> (1)
C26H29Cl2N5O3

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>  <Cat> (1)
S1014

>  <Name> (1)
Bosutinib (SKI-606)

>  <Synonyms> (1)
SKI-606

>  <Target> (1)
Autophagy,Bcr-Abl,ERK,S6 Kinase,Src,STAT

>  <Form> (1)
free base

>  <CAS> (1)
380843-75-4

>  <URL> (1)
http://selleckchem.com/products/Bosutinib.html

$$$$
Dasatinib.cdx
csChFnd80/09242411012D

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>  <Mol_ID> (2)
12

>  <Formula> (2)
C22H26ClN7O2S

>  <MolWeight> (2)
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>  <Cat> (2)
S1021

>  <Name> (2)
Dasatinib (BMS-354825)

>  <Synonyms> (2)
BMS-354825

>  <Target> (2)
Apoptosis related,Autophagy,Bcr-Abl,c-Kit,Src

>  <Form> (2)
free base

>  <CAS> (2)
302962-49-8

>  <URL> (2)
http://selleckchem.com/products/Dasatinib.html

$$$$
Imatinib Mesylate.cdx
csChFnd80/09242411012D

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>  <Mol_ID> (3)
16

>  <Formula> (3)
C30H35N7O4S

>  <MolWeight> (3)
589.7084

>  <Cat> (3)
S1026

>  <Name> (3)
Imatinib (STI571) Mesylate

>  <Synonyms> (3)
Gleevec, Glivec, CGP-57148B,STI571

>  <Target> (3)
Autophagy,Bcr-Abl,c-Kit,PDGFR

>  <Form> (3)
Mesylate

>  <CAS> (3)
220127-57-1

>  <URL> (3)
http://selleckchem.com/products/Imatinib-Mesylate.html

$$$$
untitled.cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (4)
21

>  <Formula> (4)
C28H22F3N7O

>  <MolWeight> (4)
529.5157896

>  <Cat> (4)
S1033

>  <Name> (4)
Nilotinib (AMN-107)

>  <Synonyms> (4)
AMN-107

>  <Target> (4)
AMPK,Autophagy,Bcr-Abl

>  <Form> (4)
free base

>  <CAS> (4)
641571-10-0

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

$$$$
untitled.cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (5)
32

>  <Formula> (5)
C23H28N8OS

>  <MolWeight> (5)
464.58642

>  <Cat> (5)
S1048

>  <Name> (5)
Tozasertib

>  <Synonyms> (5)
VX-680, MK-0457

>  <Target> (5)
Aurora Kinase,Autophagy,Bcr-Abl,FLT3

>  <Form> (5)
free base

>  <CAS> (5)
639089-54-6

>  <URL> (5)
http://selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/09242411012D

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   10.0971    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  4 16  1  0  0  0  0
M  END
>  <Mol_ID> (6)
33

>  <Formula> (6)
C14H23Cl2N3O

>  <MolWeight> (6)
320.25792

>  <Cat> (6)
S1049

>  <Name> (6)
Y-27632 2HCl

>  <Synonyms> (6)
N/A

>  <Target> (6)
Autophagy,ROCK

>  <Form> (6)
Dihydrochloride

>  <CAS> (6)
129830-38-2

>  <URL> (6)
http://selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/09242411012D

 39 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (7)
36

>  <Formula> (7)
C32H29N5O2

>  <MolWeight> (7)
515.60496

>  <Cat> (7)
S1055

>  <Name> (7)
Enzastaurin (LY317615)

>  <Synonyms> (7)
N/A

>  <Target> (7)
PKC

>  <Form> (7)
free base

>  <CAS> (7)
170364-57-5

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

$$$$
untitled.cdx
csChFnd80/09242411012D

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TGF-beta/Smad

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free base

>  <CAS> (8)
301836-41-9

>  <URL> (8)
http://selleckchem.com/products/SB-431542.html

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NVP-ADW742.cdx
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>  <MolWeight> (9)
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>  <Synonyms> (9)
GSK 552602A, ADW742

>  <Target> (9)
IGF-1R

>  <Form> (9)
Free Base

>  <CAS> (9)
475488-23-4

>  <URL> (9)
http://selleckchem.com/products/NVP-ADW742.html

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untitled.cdx
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>  <Mol_ID> (10)
69

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C26H30N6O3

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>  <Name> (10)
Danusertib (PHA-739358)

>  <Synonyms> (10)
N/A

>  <Target> (10)
Apoptosis related,Aurora Kinase,Autophagy,Bcr-Abl,c-RET,FGFR,Trk receptor

>  <Form> (10)
free base

>  <CAS> (10)
827318-97-8

>  <URL> (10)
http://selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
AT9283.cdx
csChFnd80/09242411012D

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>  <Mol_ID> (11)
81

>  <Formula> (11)
C19H23N7O2

>  <MolWeight> (11)
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>  <Cat> (11)
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>  <Synonyms> (11)
N/A

>  <Target> (11)
Aurora Kinase,Bcr-Abl,JAK

>  <Form> (11)
free base

>  <CAS> (11)
896466-04-9

>  <URL> (11)
http://selleckchem.com/products/AT9283.html

$$$$
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TGF-beta/Smad

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M  END
>  <Mol_ID> (16)
346

>  <Formula> (16)
C14H18ClN3O2S

>  <MolWeight> (16)
327.82962

>  <Cat> (16)
S1573

>  <Name> (16)
Fasudil (HA-1077) HCl

>  <Synonyms> (16)
AT-877,HA-1077 HCl

>  <Target> (16)
Autophagy,Calcium Channel,MLCK,PKA,PKC,PKG,Rho,ROCK

>  <Form> (16)
Hydrochloride

>  <CAS> (16)
105628-07-7

>  <URL> (16)
http://selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
DCC-2036.cdx
csChFnd80/09242411012D

 41 45  0  0  0  0  0  0  0  0999 V2000
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   14.3574    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (17)
420

>  <Formula> (17)
C30H28FN7O3

>  <MolWeight> (17)
553.5868232

>  <Cat> (17)
S2634

>  <Name> (17)
Rebastinib (DCC-2036)

>  <Synonyms> (17)
N/A

>  <Target> (17)
Bcr-Abl

>  <Form> (17)
free base

>  <CAS> (17)
1020172-07-9

>  <URL> (17)
http://selleckchem.com/products/dcc-2036.html

$$$$
GW788388(1).cdx
csChFnd80/09242411012D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (18)
544

>  <Formula> (18)
C25H23N5O2

>  <MolWeight> (18)
425.48242

>  <Cat> (18)
S2750

>  <Name> (18)
GW788388

>  <Synonyms> (18)
N/A

>  <Target> (18)
TGF-beta/Smad

>  <Form> (18)
free base

>  <CAS> (18)
452342-67-5

>  <URL> (18)
http://selleckchem.com/products/gw788388.html

$$$$
SB505124.cdx
csChFnd80/09242411012D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (19)
569

>  <Formula> (19)
C20H21N3O2

>  <MolWeight> (19)
335.39964

>  <Cat> (19)
S2186

>  <Name> (19)
SB505124

>  <Synonyms> (19)
N/A

>  <Target> (19)
TGF-beta/Smad

>  <Form> (19)
free base

>  <CAS> (19)
694433-59-5

>  <URL> (19)
http://selleckchem.com/products/sb-505124.html

$$$$
Nocodazole.cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (20)
571

>  <Formula> (20)
C14H11N3O3S

>  <MolWeight> (20)
301.32044

>  <Cat> (20)
S2775

>  <Name> (20)
Nocodazole (R17934)

>  <Synonyms> (20)
Oncodazole, NSC238159

>  <Target> (20)
Apoptosis related,Autophagy,Bcr-Abl,CRISPR/Cas9,Microtubule Associated

>  <Form> (20)
free base

>  <CAS> (20)
31430-18-9

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

$$$$
Sotrastaurin£¨AEB071£©.cdx
csChFnd80/09242411012D

 33 38  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
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  1  5  1  0  0  0  0
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  8  9  1  0  0  0  0
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 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
  9 18  1  0  0  0  0
  4 11  1  0  0  0  0
 25 26  1  0  0  0  0
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  3 27  1  0  0  0  0
M  END
>  <Mol_ID> (21)
592

>  <Formula> (21)
C25H22N6O2

>  <MolWeight> (21)
438.48118

>  <Cat> (21)
S2791

>  <Name> (21)
Sotrastaurin (AEB071)

>  <Synonyms> (21)
AEB071

>  <Target> (21)
PKC

>  <Form> (21)
free base

>  <CAS> (21)
425637-18-9

>  <URL> (21)
http://selleckchem.com/products/sotrastaurin-aeb071.html

$$$$
Quercetin.cdx
csChFnd80/09242411012D

 22 24  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
  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
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M  END
>  <Mol_ID> (22)
615

>  <Formula> (22)
C15H10O7

>  <MolWeight> (22)
302.2357

>  <Cat> (22)
S2391

>  <Name> (22)
Quercetin (NSC 9221)

>  <Synonyms> (22)
Sophoretin, C.I. 75720

>  <Target> (22)
Apoptosis related,Autophagy,Mitophagy,PI3K,PKC,Sirtuin,Src

>  <Form> (22)
Free Base

>  <CAS> (22)
117-39-5

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

$$$$
KW2449.cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (23)
644

>  <Formula> (23)
C20H20N4O

>  <MolWeight> (23)
332.399

>  <Cat> (23)
S2158

>  <Name> (23)
KW-2449

>  <Synonyms> (23)
N/A

>  <Target> (23)
Aurora Kinase,Bcr-Abl,FLT3

>  <Form> (23)
free base

>  <CAS> (23)
1000669-72-6

>  <URL> (23)
http://selleckchem.com/products/KW-2449.html

$$$$
Daphnetin.cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (24)
648

>  <Formula> (24)
C9H6O4

>  <MolWeight> (24)
178.14154

>  <Cat> (24)
S2554

>  <Name> (24)
Daphnetin

>  <Synonyms> (24)
N/A

>  <Target> (24)
EGFR,PKA,PKC

>  <Form> (24)
free base

>  <CAS> (24)
486-35-1

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

$$$$
NVP-BHG712.cdx
csChFnd80/09242411012D

 37 41  0  0  0  0  0  0  0  0999 V2000
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 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 12 19  2  0  0  0  0
 19 20  1  0  0  0  0
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 23 12  1  0  0  0  0
 23 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 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
 32 33  2  0  0  0  0
 33 27  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (25)
667

>  <Formula> (25)
C26H20F3N7O

>  <MolWeight> (25)
503.4785096

>  <Cat> (25)
S2202

>  <Name> (25)
NVP-BHG712

>  <Synonyms> (25)
N/A

>  <Target> (25)
Bcr-Abl,Ephrin receptor,Raf,Src

>  <Form> (25)
free base

>  <CAS> (25)
940310-85-0

>  <URL> (25)
http://selleckchem.com/products/NVP-BHG712.html

$$$$
Hesperetin.cdx
csChFnd80/09242411012D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (26)
718

>  <Formula> (26)
C16H14O6

>  <MolWeight> (26)
302.27876

>  <Cat> (26)
S2308

>  <Name> (26)
Hesperetin

>  <Synonyms> (26)
N/A

>  <Target> (26)
Histamine Receptor,TGF-beta/Smad

>  <Form> (26)
free base

>  <CAS> (26)
520-33-2

>  <URL> (26)
http://selleckchem.com/products/Hesperetin.html

$$$$
Myricitrin.cdx
csChFnd80/09242411012D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (27)
733

>  <Formula> (27)
C21H20O12

>  <MolWeight> (27)
464.3763

>  <Cat> (27)
S2327

>  <Name> (27)
Myricitrin

>  <Synonyms> (27)
Myricitrine

>  <Target> (27)
PKC

>  <Form> (27)
free base

>  <CAS> (27)
17912-87-7

>  <URL> (27)
http://selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Oxymatrine.cdx
csChFnd80/09242411012D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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
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    3.6373    3.5000    0.0000 C   0  0  2  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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  4  7  1  0  0  0  0
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 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
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 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> (28)
742

>  <Formula> (28)
C15H24N2O2

>  <MolWeight> (28)
264.36326

>  <Cat> (28)
S2338

>  <Name> (28)
Oxymatrine

>  <Synonyms> (28)
Matrine N-oxide

>  <Target> (28)
Immunology & Inflammation related

>  <Form> (28)
free base

>  <CAS> (28)
16837-52-8

>  <URL> (28)
http://selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

$$$$
Imatinib.cdx
csChFnd80/09242411012D

 37 41  0  0  0  0  0  0  0  0999 V2000
    4.8371   10.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6826    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    2.7976    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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 14  7  1  0  0  0  0
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 19  9  1  0  0  0  0
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 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
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 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 34 35  1  0  0  0  0
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 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (29)
775

>  <Formula> (29)
C29H31N7O

>  <MolWeight> (29)
493.60274

>  <Cat> (29)
S2475

>  <Name> (29)
Imatinib (STI571)

>  <Synonyms> (29)
STI571,Gleevec, Glivec, CGP057148B

>  <Target> (29)
Autophagy,Bcr-Abl,c-Kit,PDGFR

>  <Form> (29)
free base

>  <CAS> (29)
152459-95-5

>  <URL> (29)
http://selleckchem.com/products/Imatinib(STI571).html

$$$$

csChFnd80/09242411012D

 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
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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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   16.1581   -3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0959   -9.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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   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> (30)
787

>  <Formula> (30)
C22H30Cl2N4O6

>  <MolWeight> (30)
517.4028

>  <Cat> (30)
S2485

>  <Name> (30)
Mitoxantrone (NSC-301739)?2HCl

>  <Synonyms> (30)
NSC-301739 2HCl

>  <Target> (30)
Apoptosis related,COVID-19,PKC,Topoisomerase

>  <Form> (30)
Dihydrochloride

>  <CAS> (30)
70476-82-3

>  <URL> (30)
http://selleckchem.com/products/Mitoxantrone-Hydrochloride.html

$$$$
PP121.cdx
csChFnd80/09242411012D

 24 28  0  0  0  0  0  0  0  0999 V2000
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   11.7374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4247    4.2106    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> (31)
841

>  <Formula> (31)
C17H17N7

>  <MolWeight> (31)
319.36378

>  <Cat> (31)
S2622

>  <Name> (31)
PP121

>  <Synonyms> (31)
N/A

>  <Target> (31)
Bcr-Abl,DNA-PK,mTOR,PDGFR,Src,VEGFR

>  <Form> (31)
free base

>  <CAS> (31)
1092788-83-4

>  <URL> (31)
http://selleckchem.com/products/PP121.html

$$$$
WP1130.cdx
csChFnd80/09242411012D

 24 25  0  0  0  0  0  0  0  0999 V2000
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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
    4.8497    3.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9018    2.7977    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
  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> (32)
843

>  <Formula> (32)
C19H18BrN3O

>  <MolWeight> (32)
384.26972

>  <Cat> (32)
S2243

>  <Name> (32)
Degrasyn (WP1130)

>  <Synonyms> (32)
N/A

>  <Target> (32)
Apoptosis related,Autophagy,Bcr-Abl,DUB

>  <Form> (32)
free base

>  <CAS> (32)
856243-80-6

>  <URL> (32)
http://selleckchem.com/products/WP1130.html

$$$$
LY2157299.cdx
csChFnd80/09242411012D

 28 32  0  0  0  0  0  0  0  0999 V2000
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    1.2082    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  5 13  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
 16 11  1  0  0  0  0
  9 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
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 21  9  1  0  0  0  0
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 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (33)
853

>  <Formula> (33)
C22H19N5O

>  <MolWeight> (33)
369.41916

>  <Cat> (33)
S2230

>  <Name> (33)
Galunisertib (LY2157299)

>  <Synonyms> (33)
N/A

>  <Target> (33)
TGF-beta/Smad

>  <Form> (33)
free base

>  <CAS> (33)
700874-72-2

>  <URL> (33)
http://selleckchem.com/products/ly2157299.html

$$$$
937174-76-0.cdx
csChFnd80/09242411012D

 31 34  0  0  0  0  0  0  0  0999 V2000
    5.7039    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1288    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5452    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (34)
886

>  <Formula> (34)
C21H27N7O3

>  <MolWeight> (34)
425.48418

>  <Cat> (34)
S1113

>  <Name> (34)
GSK690693

>  <Synonyms> (34)
N/A

>  <Target> (34)
Akt,AMPK,Autophagy,DAPK,PKA,PKC,STING,ULK

>  <Form> (34)
free base

>  <CAS> (34)
937174-76-0

>  <URL> (34)
http://selleckchem.com/products/GSK690693.html

$$$$
AG-1478.cdx
csChFnd80/09242411012D

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>  <Mol_ID> (35)
939

>  <Formula> (35)
C16H14ClN3O2

>  <MolWeight> (35)
315.75426

>  <Cat> (35)
S2728

>  <Name> (35)
AG-1478 (Tyrphostin AG-1478)

>  <Synonyms> (35)
NSC 693255

>  <Target> (35)
EGFR,HCV,PI4K

>  <Form> (35)
free base

>  <CAS> (35)
153436-53-4,175178-82-2

>  <URL> (35)
http://selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
Pirfenidone.cdx
csChFnd80/09242411012D

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>  <Mol_ID> (36)
1104

>  <Formula> (36)
C12H11NO

>  <MolWeight> (36)
185.22184

>  <Cat> (36)
S2907

>  <Name> (36)
Pirfenidone (S-7701)

>  <Synonyms> (36)
AMR-69

>  <Target> (36)
CCR,TGF-beta/Smad

>  <Form> (36)
free base

>  <CAS> (36)
53179-13-8

>  <URL> (36)
http://selleckchem.com/products/pirfenidone.html

$$$$
Go 6983.cdx
csChFnd80/09242411012D

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>  <Mol_ID> (37)
1133

>  <Formula> (37)
C26H26N4O3

>  <MolWeight> (37)
442.50964

>  <Cat> (37)
S2911

>  <Name> (37)
Go 6983

>  <Synonyms> (37)
GOE 6983, G? 6983

>  <Target> (37)
PKC

>  <Form> (37)
free base

>  <CAS> (37)
133053-19-7

>  <URL> (37)
http://selleckchem.com/products/go-6983.html

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/09242411012D

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>  <Mol_ID> (38)
1218

>  <Formula> (38)
C18H14N4O5S

>  <MolWeight> (38)
398.39256

>  <Cat> (38)
S1576

>  <Name> (38)
Sulfasalazine (NSC 667219)

>  <Synonyms> (38)
Azulfidine, Salazopyrin, Sulphasalazine, NSC 667219

>  <Target> (38)
Apoptosis related,Autophagy,COX,Ferroptosis,Immunology & Inflammation related,NF-¦ÊB,TGF-beta/Smad

>  <Form> (38)
free base

>  <CAS> (38)
599-79-1

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

$$$$
GNF-2.cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (39)
1222

>  <Formula> (39)
C18H13F3N4O2

>  <MolWeight> (39)
374.3166296

>  <Cat> (39)
S2899

>  <Name> (39)
GNF-2

>  <Synonyms> (39)
N/A

>  <Target> (39)
Bcr-Abl

>  <Form> (39)
free base

>  <CAS> (39)
778270-11-4

>  <URL> (39)
http://selleckchem.com/products/gnf-2.html

$$$$
NS-187.cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (40)
1705

>  <Formula> (40)
C30H31F3N8O

>  <MolWeight> (40)
576.6153496

>  <Cat> (40)
S1369

>  <Name> (40)
Bafetinib (INNO-406)

>  <Synonyms> (40)
NS-187

>  <Target> (40)
Bcr-Abl

>  <Form> (40)
free base

>  <CAS> (40)
859212-16-1

>  <URL> (40)
http://selleckchem.com/products/Bafetinib.html

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/09242411012D

 47 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (41)
1707

>  <Formula> (41)
C37H42Cl2N2O6

>  <MolWeight> (41)
681.64518

>  <Cat> (41)
S3609

>  <Name> (41)
Berbamine dihydrochloride

>  <Synonyms> (41)
BA, BBM

>  <Target> (41)
Bcr-Abl,CaMK,NF-¦ÊB

>  <Form> (41)
dihydrochloride

>  <CAS> (41)
6078-17-7

>  <URL> (41)
http://selleckchem.com/products/berbamine-dihydrochloride.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/09242411012D

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>  <Mol_ID> (42)
1721

>  <Formula> (42)
C48H78O19

>  <MolWeight> (42)
959.12152

>  <Cat> (42)
S3616

>  <Name> (42)
Asiaticoside

>  <Synonyms> (42)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (42)
ROS

>  <Form> (42)
free base

>  <CAS> (42)
16830-15-2

>  <URL> (42)
http://selleckchem.com/products/asiaticoside.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/09242411012D

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>  <Mol_ID> (43)
1744

>  <Formula> (43)
C11H8O3

>  <MolWeight> (43)
188.17942

>  <Cat> (43)
S3661

>  <Name> (43)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (43)
N/A

>  <Target> (43)
PKC

>  <Form> (43)
free base

>  <CAS> (43)
2348-82-5

>  <URL> (43)
http://selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/09242411012D

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>  <Mol_ID> (44)
1842

>  <Formula> (44)
C19H20O5

>  <MolWeight> (44)
328.3591

>  <Cat> (44)
S3819

>  <Name> (44)
Decursinol angelate

>  <Synonyms> (44)
N/A

>  <Target> (44)
PKC

>  <Form> (44)
free base

>  <CAS> (44)
130848-06-5

>  <URL> (44)
http://selleckchem.com/products/decursinol-angelate.html

$$$$
LY2109761.cdx
csChFnd80/09242411012D

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>  <Mol_ID> (45)
1949

>  <Formula> (45)
C26H27N5O2

>  <MolWeight> (45)
441.52488

>  <Cat> (45)
S2704

>  <Name> (45)
LY2109761

>  <Synonyms> (45)
N/A

>  <Target> (45)
Apoptosis related,Autophagy,TGF-beta/Smad

>  <Form> (45)
Free Base

>  <CAS> (45)
700874-71-1

>  <URL> (45)
http://selleckchem.com/products/ly2109761.html

$$$$
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csChFnd80/09242411012D

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    2.7388    3.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9368    4.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    2.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    1.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664    5.8531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0068    4.9163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0450    3.7836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7539    5.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1373    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5373    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  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
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 13 16  1  0  0  0  0
  4 14  1  0  0  0  0
M  END
>  <Mol_ID> (46)
1953

>  <Formula> (46)
C17H12N4

>  <MolWeight> (46)
272.30398

>  <Cat> (46)
S2805

>  <Name> (46)
LY364947

>  <Synonyms> (46)
HTS 466284

>  <Target> (46)
Casein Kinase,Mixed Lineage Kinase,RIP kinase,TGF-beta/Smad

>  <Form> (46)
Free Base

>  <CAS> (46)
396129-53-6

>  <URL> (46)
http://selleckchem.com/products/ly364947.html

$$$$
GZD824.cdx
csChFnd80/09242411012D

 49 51  0  0  0  0  0  0  0  0999 V2000
    4.1988    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5988    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3863    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2893   10.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
  7 30  3  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  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 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  2  0  0  0  0
 41 44  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  2  0  0  0  0
 46 49  1  0  0  0  0
M  END
>  <Mol_ID> (47)
1992

>  <Formula> (47)
C31H35F3N6O7S2

>  <MolWeight> (47)
724.7708096

>  <Cat> (47)
S7194

>  <Name> (47)
Olverembatinib dimesylate (HQP1351)

>  <Synonyms> (47)
GZD824 Dimesylate

>  <Target> (47)
Bcr-Abl

>  <Form> (47)
Mesylate

>  <CAS> (47)
1421783-64-3

>  <URL> (47)
http://selleckchem.com/products/gzd824.html

$$$$
RKI-1447.cdx
csChFnd80/09242411012D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7836    4.1923    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (48)
1994

>  <Formula> (48)
C16H14N4O2S

>  <MolWeight> (48)
326.37296

>  <Cat> (48)
S7195

>  <Name> (48)
RKI-1447

>  <Synonyms> (48)
N/A

>  <Target> (48)
ROCK

>  <Form> (48)
free base

>  <CAS> (48)
1342278-01-6

>  <URL> (48)
http://selleckchem.com/products/rki-1447.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/09242411012D

 44 48  0  0  0  0  0  0  0  0999 V2000
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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> (49)
2221

>  <Formula> (49)
C29H36O15

>  <MolWeight> (49)
624.58714

>  <Cat> (49)
S2323

>  <Name> (49)
Methyl-Hesperidin

>  <Synonyms> (49)
N/A

>  <Target> (49)
Akt,PKC

>  <Form> (49)
free base

>  <CAS> (49)
11013-97-1

>  <URL> (49)
http://selleckchem.com/products/Methyl-Hesperidin.html

$$$$
AZD5363.cdx
csChFnd80/09242411012D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 19 22  1  0  0  0  0
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  4 29  1  0  0  0  0
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M  END
>  <Mol_ID> (50)
2270

>  <Formula> (50)
C21H25ClN6O2

>  <MolWeight> (50)
428.9152

>  <Cat> (50)
S8019

>  <Name> (50)
Capivasertib (AZD5363)

>  <Synonyms> (50)
N/A

>  <Target> (50)
Akt

>  <Form> (50)
free base

>  <CAS> (50)
1143532-39-1

>  <URL> (50)
http://selleckchem.com/products/azd5363.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/09242411012D

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.3047    2.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1568    1.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1732    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8095    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1460    0.4170    0.0000 S   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  1  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  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
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 16  6  1  0  0  0  0
M  END
>  <Mol_ID> (51)
2463

>  <Formula> (51)
C11H10N2O2S

>  <MolWeight> (51)
234.2743

>  <Cat> (51)
S7914

>  <Name> (51)
Isoxazole 9 (ISX-9)

>  <Synonyms> (51)
N/A

>  <Target> (51)
TGF-beta/Smad,Wnt/beta-catenin

>  <Form> (51)
free base

>  <CAS> (51)
832115-62-5

>  <URL> (51)
http://selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/09242411012D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.1033    3.5086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (52)
2556

>  <Formula> (52)
C17H13N5

>  <MolWeight> (52)
287.31862

>  <Cat> (52)
S7223

>  <Name> (52)
RepSox (E-616452)

>  <Synonyms> (52)
SJN 2511,ALK5 Inhibitor II

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

>  <Form> (52)
free base

>  <CAS> (52)
446859-33-2

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

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/09242411012D

 38 41  0  0  0  0  0  0  0  0999 V2000
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    6.3432    8.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (53)
2566

>  <Formula> (53)
C26H27N5O5S2

>  <MolWeight> (53)
553.65308

>  <Cat> (53)
S7207

>  <Name> (53)
Bisindolylmaleimide IX (Ro 31-8220 Mesylate)

>  <Synonyms> (53)
Bisindolylmaleimide IX Mesylate

>  <Target> (53)
PKC

>  <Form> (53)
Mesylate

>  <CAS> (53)
138489-18-6

>  <URL> (53)
http://selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/09242411012D

 32 34  0  0  0  0  0  0  0  0999 V2000
   10.2024    7.9271    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
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (54)
2576

>  <Formula> (54)
C24H27Cl2N5O

>  <MolWeight> (54)
472.41008

>  <Cat> (54)
S7306

>  <Name> (54)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (54)
BML-275 2HCl,Compound C 2HCl

>  <Target> (54)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (54)
Dihydrochloride

>  <CAS> (54)
1219168-18-9

>  <URL> (54)
http://selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
LM-3151 K 02288.cdx
csChFnd80/09242411012D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (55)
2674

>  <Formula> (55)
C20H20N2O4

>  <MolWeight> (55)
352.3838

>  <Cat> (55)
S7359

>  <Name> (55)
K02288

>  <Synonyms> (55)
N/A

>  <Target> (55)
TGF-beta/Smad

>  <Form> (55)
free base

>  <CAS> (55)
1431985-92-0

>  <URL> (55)
http://selleckchem.com/products/k02288.html

$$$$
LDN193189 HCl.cdx
csChFnd80/09242411012D

 32 36  0  0  0  0  0  0  0  0999 V2000
    3.6331    7.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 22  1  0  0  0  0
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 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 27  1  0  0  0  0
M  END
>  <Mol_ID> (56)
2695

>  <Formula> (56)
C25H23ClN6

>  <MolWeight> (56)
442.94332

>  <Cat> (56)
S7507

>  <Name> (56)
LDN-193189 2HCl

>  <Synonyms> (56)
DM-3189 2HCl

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

>  <Form> (56)
Hydrochloride

>  <CAS> (56)
1435934-00-1

>  <URL> (56)
http://selleckchem.com/products/ldn-193189-2hcl.html

$$$$
ML347.cdx
csChFnd80/09242411012D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (57)
2709

>  <Formula> (57)
C22H16N4O

>  <MolWeight> (57)
352.38864

>  <Cat> (57)
S7148

>  <Name> (57)
ML347

>  <Synonyms> (57)
LDN-193719

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

>  <Form> (57)
free base

>  <CAS> (57)
1062368-49-3

>  <URL> (57)
http://selleckchem.com/products/ml347.html

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/09242411012D

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>  <Name> (58)
K-Ras(G12C) inhibitor 6

>  <Synonyms> (58)
N/A

>  <Target> (58)
Ras

>  <Form> (58)
free base

>  <CAS> (58)
2060530-16-5

>  <URL> (58)
http://selleckchem.com/products/k-ras-g12c-inhibitor-6.html

$$$$
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2713

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C24H20N4O

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380.4418

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S7146

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DMH1

>  <Synonyms> (59)
N/A

>  <Target> (59)
Autophagy,TGF-beta/Smad

>  <Form> (59)
free base

>  <CAS> (59)
1206711-16-1

>  <URL> (59)
http://selleckchem.com/products/dmh1.html

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2714

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C25H22N6

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LDN-212854

>  <Synonyms> (60)
BMP Inhibitor III

>  <Target> (60)
TGF-beta/Smad

>  <Form> (60)
free base

>  <CAS> (60)
1432597-26-6

>  <URL> (60)
http://selleckchem.com/products/ldn-212854.html

$$$$
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GNF-5

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Bcr-Abl

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free base

>  <CAS> (61)
778277-15-9

>  <URL> (61)
http://selleckchem.com/products/gnf-5.html

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M  END
>  <Mol_ID> (62)
2781

>  <Formula> (62)
C21H18Cl2N4OS

>  <MolWeight> (62)
445.36482

>  <Cat> (62)
S7269

>  <Name> (62)
PD173955

>  <Synonyms> (62)
N/A

>  <Target> (62)
Bcr-Abl

>  <Form> (62)
free base

>  <CAS> (62)
260415-63-2

>  <URL> (62)
http://selleckchem.com/products/pd173955.html

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/09242411012D

 26 27  0  0  0  0  0  0  0  0999 V2000
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 22 26  2  0  0  0  0
M  END
>  <Mol_ID> (63)
2785

>  <Formula> (63)
C16H21ClIN3O4S

>  <MolWeight> (63)
513.77811

>  <Cat> (63)
S7332

>  <Name> (63)
K-Ras(G12C) inhibitor 9

>  <Synonyms> (63)
N/A

>  <Target> (63)
Ras

>  <Form> (63)
free base

>  <CAS> (63)
1469337-91-4

>  <URL> (63)
http://selleckchem.com/products/k-ras-g12c-inhibitor9.html

$$$$
Go6976.cdx
csChFnd80/09242411012D

 29 34  0  0  0  0  0  0  0  0999 V2000
    5.8907    8.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4924    8.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8526    7.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  4  1  0  0  0  0
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 15  2  1  0  0  0  0
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M  END
>  <Mol_ID> (64)
2790

>  <Formula> (64)
C24H18N4O

>  <MolWeight> (64)
378.42592

>  <Cat> (64)
S7119

>  <Name> (64)
Go6976

>  <Synonyms> (64)
PD406976

>  <Target> (64)
FLT3,JAK,PKC

>  <Form> (64)
free base

>  <CAS> (64)
136194-77-9

>  <URL> (64)
http://selleckchem.com/products/go6976.html

$$$$
6H05.cdx
csChFnd80/09242411012D

 36 36  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (65)
2805

>  <Formula> (65)
C22H31ClF3N3O4S3

>  <MolWeight> (65)
590.1424496

>  <Cat> (65)
S7330

>  <Name> (65)
6H05

>  <Synonyms> (65)
N/A

>  <Target> (65)
Ras

>  <Form> (65)
free base

>  <CAS> (65)
2061344-88-3

>  <URL> (65)
http://selleckchem.com/products/6h05.html

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/09242411012D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (66)
2819

>  <Formula> (66)
C15H17ClIN3O3

>  <MolWeight> (66)
449.67125

>  <Cat> (66)
S7331

>  <Name> (66)
K-Ras(G12C) inhibitor 12

>  <Synonyms> (66)
N/A

>  <Target> (66)
Ras

>  <Form> (66)
free base

>  <CAS> (66)
1469337-95-8

>  <URL> (66)
http://selleckchem.com/products/k-ras-g12c-inhibitor-12.html

$$$$
URMC-099.cdx
csChFnd80/09242411012D

 32 37  0  0  0  0  0  0  0  0999 V2000
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1352608-82-2

>  <URL> (68)
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4727-31-5

>  <URL> (69)
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M  END
>  <Mol_ID> (71)
2877

>  <Formula> (71)
C17H16ClN3O

>  <MolWeight> (71)
313.78144

>  <Cat> (71)
S7563

>  <Name> (71)
AT13148

>  <Synonyms> (71)
N/A

>  <Target> (71)
Akt,PKA,ROCK,S6 Kinase

>  <Form> (71)
free base

>  <CAS> (71)
1056901-62-2

>  <URL> (71)
http://selleckchem.com/products/at13148.html

$$$$
Salirasib.cdx
csChFnd80/09242411012D

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M  CFW  17 B_NG_STER 1
M  END
>  <Mol_ID> (72)
2901

>  <Formula> (72)
C22H30O2S

>  <MolWeight> (72)
358.5374

>  <Cat> (72)
S7684

>  <Name> (72)
Salirasib

>  <Synonyms> (72)
Farnesylthiosalicylic acid, FTS

>  <Target> (72)
Autophagy,PPMTase,Ras

>  <Form> (72)
free base

>  <CAS> (72)
162520-00-5

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

$$$$
SD208.cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (73)
2902

>  <Formula> (73)
C17H10ClFN6

>  <MolWeight> (73)
352.7529032

>  <Cat> (73)
S7624

>  <Name> (73)
SD-208

>  <Synonyms> (73)
N/A

>  <Target> (73)
TGF-beta/Smad

>  <Form> (73)
free base

>  <CAS> (73)
627536-09-8

>  <URL> (73)
http://selleckchem.com/products/sd-208.html

$$$$
BQU57.cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (74)
2919

>  <Formula> (74)
C16H13F3N4O

>  <MolWeight> (74)
334.2958296

>  <Cat> (74)
S7607

>  <Name> (74)
BQU57

>  <Synonyms> (74)
N/A

>  <Target> (74)
Ras

>  <Form> (74)
free base

>  <CAS> (74)
1637739-82-2

>  <URL> (74)
http://selleckchem.com/products/bqu57.html

$$$$
LM-3573.cdx
csChFnd80/09242411012D

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>  <Mol_ID> (75)
2927

>  <Formula> (75)
C22H28ClN7O3S

>  <MolWeight> (75)
506.02082

>  <Cat> (75)
S7782

>  <Name> (75)
Dasatinib Monohydrate

>  <Synonyms> (75)
BMS-354825 Monohydrate

>  <Target> (75)
Bcr-Abl,c-Kit,Src

>  <Form> (75)
Monohydrate

>  <CAS> (75)
863127-77-9

>  <URL> (75)
http://selleckchem.com/products/dasatinib-monohydrate.html

$$$$
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csChFnd80/09242411012D

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TGF-beta/Smad

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free base

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1627503-67-6

>  <URL> (77)
http://selleckchem.com/products/ldn-214117.html

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D 4476

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N/A

>  <Target> (78)
Casein Kinase

>  <Form> (78)
free base

>  <CAS> (78)
301836-43-1

>  <URL> (78)
http://selleckchem.com/products/d-4476.html

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Dorsomorphin.cdx
csChFnd80/09242411012D

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Dorsomorphin (Compound C)

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>  <Target> (79)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (79)
Free Base

>  <CAS> (79)
866405-64-3

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

$$$$
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csChFnd80/09242411012D

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M  END
>  <Mol_ID> (80)
3028

>  <Formula> (80)
C27H21F3N8O

>  <MolWeight> (80)
530.5038496

>  <Cat> (80)
S8134

>  <Name> (80)
Radotinib

>  <Synonyms> (80)
IY-5511

>  <Target> (80)
Bcr-Abl

>  <Form> (80)
free base

>  <CAS> (80)
926037-48-1

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

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/09242411012D

 25 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (81)
3029

>  <Formula> (81)
C15H23ClFN3O4S

>  <MolWeight> (81)
395.8772232

>  <Cat> (81)
S7995

>  <Name> (81)
Ripasudil (K-115) hydrochloride dihydrate

>  <Synonyms> (81)
N/A

>  <Target> (81)
ROCK

>  <Form> (81)
Hydrochloride dihydrate

>  <CAS> (81)
887375-67-9

>  <URL> (81)
http://selleckchem.com/products/ripasudil-k-115.html

$$$$
GNF-7.cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (82)
3034

>  <Formula> (82)
C28H24F3N7O2

>  <MolWeight> (82)
547.5310696

>  <Cat> (82)
S8140

>  <Name> (82)
GNF-7

>  <Synonyms> (82)
N/A

>  <Target> (82)
Bcr-Abl

>  <Form> (82)
free base

>  <CAS> (82)
839706-07-9

>  <URL> (82)
http://selleckchem.com/products/gnf-7.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/09242411012D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (83)
3040

>  <Formula> (83)
C26H24N6O2

>  <MolWeight> (83)
452.50776

>  <Cat> (83)
S7936

>  <Name> (83)
Belumosudil (KD025)

>  <Synonyms> (83)
SLx-2119

>  <Target> (83)
ROCK

>  <Form> (83)
free base

>  <CAS> (83)
911417-87-3

>  <URL> (83)
http://selleckchem.com/products/kd025-(slx-2119).html

$$$$
Halofuginone.cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (84)
3077

>  <Formula> (84)
C16H17BrClN3O3

>  <MolWeight> (84)
414.68148

>  <Cat> (84)
S8144

>  <Name> (84)
Halofuginone

>  <Synonyms> (84)
RU-19110

>  <Target> (84)
DNA/RNA Synthesis,TGF-beta/Smad

>  <Form> (84)
free base

>  <CAS> (84)
55837-20-2

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

$$$$
Kobe0065.cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (85)
3135

>  <Formula> (85)
C15H11ClF3N5O4S

>  <MolWeight> (85)
449.7921496

>  <Cat> (85)
S8303

>  <Name> (85)
Kobe0065

>  <Synonyms> (85)
N/A

>  <Target> (85)
Ras

>  <Form> (85)
free base

>  <CAS> (85)
436133-68-5

>  <URL> (85)
http://selleckchem.com/products/kobe0065.html

$$$$
LY333531.cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (86)
3171

>  <Formula> (86)
C28H29ClN4O3

>  <MolWeight> (86)
505.00786

>  <Cat> (86)
S7663

>  <Name> (86)
Ruboxistaurin (LY333531) HCl

>  <Synonyms> (86)
Ruboxistaurin hydrochloride,  LY333531 hydrochloride

>  <Target> (86)
PKC

>  <Form> (86)
hydrochloride

>  <CAS> (86)
169939-93-9

>  <URL> (86)
http://selleckchem.com/products/ly333531.html

$$$$
SIS3.cdx
csChFnd80/09242411012D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (87)
3174

>  <Formula> (87)
C28H28ClN3O3

>  <MolWeight> (87)
489.99322

>  <Cat> (87)
S7959

>  <Name> (87)
SIS3 HCl

>  <Synonyms> (87)
N/A

>  <Target> (87)
TGF-beta/Smad

>  <Form> (87)
hydrochloride

>  <CAS> (87)
521984-48-5

>  <URL> (87)
https://www.selleckchem.com/products/sis3-hcl.html

$$$$
Alantolactone.cdx
csChFnd80/09242411012D

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  9 18  1  6  0  0  0
  8 19  1  6  0  0  0
M  END
>  <Mol_ID> (88)
3213

>  <Formula> (88)
C15H20O2

>  <MolWeight> (88)
232.3181

>  <Cat> (88)
S8318

>  <Name> (88)
Alantolactone

>  <Synonyms> (88)
helenin, helenine, Eupatal

>  <Target> (88)
TGF-beta/Smad

>  <Form> (88)
free base

>  <CAS> (88)
546-43-0

>  <URL> (88)
http://selleckchem.com/products/alantolactone.html

$$$$
GSK269962.cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (89)
3225

>  <Formula> (89)
C29H31ClN8O5

>  <MolWeight> (89)
607.06004

>  <Cat> (89)
S7687

>  <Name> (89)
GSK269962A HCl

>  <Synonyms> (89)
GSK269962B, GSK269962, GSK 269962

>  <Target> (89)
ROCK

>  <Form> (89)
hydrochloride

>  <CAS> (89)
2095432-71-4

>  <URL> (89)
http://selleckchem.com/products/gsk269962.html

$$$$
ML-7.cdx
csChFnd80/09242411012D

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 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (90)
3241

>  <Formula> (90)
C15H18ClIN2O2S

>  <MolWeight> (90)
452.73809

>  <Cat> (90)
S8388

>  <Name> (90)
ML-7 HCl

>  <Synonyms> (90)
N/A

>  <Target> (90)
MLCK,PKA,PKC

>  <Form> (90)
hydrochloride

>  <CAS> (90)
110448-33-4

>  <URL> (90)
http://selleckchem.com/products/ml-7.html

$$$$
Y-39983 HCl.cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (91)
3252

>  <Formula> (91)
C16H18Cl2N4O

>  <MolWeight> (91)
353.24632

>  <Cat> (91)
S7935

>  <Name> (91)
Y-39983 HCl

>  <Synonyms> (91)
Y-33075 HCl

>  <Target> (91)
ROCK

>  <Form> (91)
dihydrochloride

>  <CAS> (91)
173897-44-4

>  <URL> (91)
http://selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (92)
3256

>  <Formula> (92)
C21H20N2O3S

>  <MolWeight> (92)
380.4601

>  <Cat> (92)
S8448

>  <Name> (92)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (92)
N/A

>  <Target> (92)
ROCK

>  <Form> (92)
free base

>  <CAS> (92)
557782-81-7

>  <URL> (92)
http://selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/09242411012D

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A   23
xH2O
M  END
>  <Mol_ID> (93)
3308

>  <Formula> (93)
C14H18ClN3O3RS

>  <MolWeight> (93)
343.82902

>  <Cat> (93)
S8208

>  <Name> (93)
Hydroxyfasudil (HA-1100) HCl

>  <Synonyms> (93)
N/A

>  <Target> (93)
ROCK

>  <Form> (93)
hydrochloride

>  <CAS> (93)
155558-32-0 (HCl salt)

>  <URL> (93)
http://selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
GSK180736A.cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (94)
3326

>  <Formula> (94)
C19H16FN5O2

>  <MolWeight> (94)
365.3610432

>  <Cat> (94)
S8489

>  <Name> (94)
GSK180736A (GSK180736)

>  <Synonyms> (94)
N/A

>  <Target> (94)
GRK

>  <Form> (94)
free base

>  <CAS> (94)
817194-38-0

>  <URL> (94)
http://selleckchem.com/products/gsk180736a.html

$$$$
ARS-853.cdx
csChFnd80/09242411012D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (95)
3341

>  <Formula> (95)
C22H29ClN4O3

>  <MolWeight> (95)
432.94366

>  <Cat> (95)
S8156

>  <Name> (95)
ARS-853 (ARS853)

>  <Synonyms> (95)
N/A

>  <Target> (95)
Apoptosis related,Ras

>  <Form> (95)
free base

>  <CAS> (95)
1629268-00-3

>  <URL> (95)
http://selleckchem.com/products/ars-853.html

$$$$
Asciminib(ABL001).cdx
csChFnd80/09242411012D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (96)
3589

>  <Formula> (96)
C20H18ClF2N5O3

>  <MolWeight> (96)
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>  <Cat> (96)
S8555

>  <Name> (96)
Asciminib (ABL001)

>  <Synonyms> (96)
N/A

>  <Target> (96)
Bcr-Abl

>  <Form> (96)
free base

>  <CAS> (96)
1492952-76-7

>  <URL> (96)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/09242411012D

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    0.0000   10.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258    7.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    8.4089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    7.7088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    6.3081    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9127    5.6077    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1259    6.3082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4868    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6985    3.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.2081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2685    3.5047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2685    2.0984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4837    1.3968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6956    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9036    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    9.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002   10.5080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9127    4.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3387    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5510    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7635    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9759    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    6.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    7.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1886    8.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9782    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6138    8.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6133    5.6060    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
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
  3  6  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
 14 19  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
 21 26  1  0  0  0  0
 26 27  1  1  0  0  0
 25 28  1  6  0  0  0
 24 29  1  1  0  0  0
 23 30  1  1  0  0  0
 22 20  1  6  0  0  0
 17 20  1  1  0  0  0
 31 32  1  0  0  0  0
 15 31  1  1  0  0  0
 18 33  1  6  0  0  0
 35 36  1  0  0  0  0
 34 35  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 37 42  2  0  0  0  0
 40 43  1  0  0  0  0
 39 44  1  0  0  0  0
 36 37  1  0  0  0  0
 19 34  1  1  0  0  0
 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (97)
3817

>  <Formula> (97)
C29H36O15

>  <MolWeight> (97)
624.58714

>  <Cat> (97)
S5458

>  <Name> (97)
Verbascoside

>  <Synonyms> (97)
Acteoside, Kusaginin

>  <Target> (97)
Immunology & Inflammation related

>  <Form> (97)
free base

>  <CAS> (97)
61276-17-3

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

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/09242411012D

 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
    9.6996    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.7998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    2.7998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.6998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.8997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9744    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9744    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    7.6998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9744    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.3331    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7024    0.4164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4024    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4657    2.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7948    1.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3135    4.2145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  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
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 37  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 37  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 38  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (98)
3910

>  <Formula> (98)
C28H23ClF3N7O

>  <MolWeight> (98)
565.9767296

>  <Cat> (98)
S5205

>  <Name> (98)
Nilotinib hydrochloride

>  <Synonyms> (98)
AMN-107 HCl

>  <Target> (98)
Bcr-Abl

>  <Form> (98)
hydrochloride

>  <CAS> (98)
923288-95-3

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

$$$$
S9407 Angoroside C.cdx
csChFnd80/09242411012D

 55 59  0  0  0  0  0  0  0  0999 V2000
    7.2477    2.0878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2478    3.5217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5378    4.2665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5577    2.0813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3935    1.4245    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7503    7.7665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9419    8.4545    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9419    9.8567    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7238   10.5600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8228    2.0878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6315    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3804    2.1224    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3807    3.4534    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6499    4.1825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5979    3.6545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3935    0.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7701    1.3813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9752    2.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1912    1.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4019    2.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4025    3.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6149    4.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6149    5.5728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8273    3.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8273    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6149    1.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0398    4.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2522    3.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5378    5.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7503    6.3665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1543   10.5567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5248    9.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5232    8.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7238   11.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1543    7.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0354    4.2217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0354    5.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8230    6.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8230    7.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6132    8.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6132    9.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3946   10.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859    9.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859    8.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100    7.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3946   11.9022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1573   12.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2478    6.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0353    1.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683    4.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8228    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    5.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680    1.4224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  5  1  1  0  0  0  0
  4  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  3  1  0  0  0  0
 15  4  1  0  0  0  0
  5 16  1  6  0  0  0
  4 17  1  1  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 20  2  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
  3 29  1  1  0  0  0
  6 30  1  6  0  0  0
 30 29  1  0  0  0  0
  8 31  1  6  0  0  0
  9 32  1  0  0  0  0
 33  6  1  0  0  0  0
 32 33  1  0  0  0  0
  9 34  1  6  0  0  0
  7 35  1  1  0  0  0
  2 36  1  6  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 43  2  0  0  0  0
 45 46  1  0  0  0  0
 46 40  2  0  0  0  0
 47 42  1  0  0  0  0
 48 47  1  0  0  0  0
 49 37  2  0  0  0  0
 10 50  1  1  0  0  0
  1 50  1  1  0  0  0
 13 51  1  1  0  0  0
 52 10  1  0  0  0  0
 14 52  1  0  0  0  0
 14 53  1  6  0  0  0
 12 54  1  6  0  0  0
 11 55  1  6  0  0  0
M  END
>  <Mol_ID> (99)
4021

>  <Formula> (99)
C36H48O19

>  <MolWeight> (99)
784.75492

>  <Cat> (99)
S9407

>  <Name> (99)
Angoroside C

>  <Target> (99)
Immunology & Inflammation related

>  <Form> (99)
free base

>  <CAS> (99)
115909-22-3

>  <URL> (99)
https://www.selleckchem.com/products/angoroside-c.html

$$$$

csChFnd80/09242411012D

 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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M  END
>  <Mol_ID> (100)
4133

>  <Formula> (100)
C14H11ClN4S2

>  <MolWeight> (100)
334.84694

>  <Cat> (100)
S8700

>  <Name> (100)
TP0427736 HCl

>  <Synonyms> (100)
N/A

>  <Target> (100)
TGF-beta/Smad

>  <Form> (100)
hydrochloride

>  <CAS> (100)
864374-00-5

>  <URL> (100)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$
S9061 Hydroxy safflor yellow A.cdx
csChFnd80/09242411012D

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M  END
>  <Mol_ID> (101)
4185

>  <Formula> (101)
C27H32O16

>  <MolWeight> (101)
612.53338

>  <Cat> (101)
S9061

>  <Name> (101)
Hydroxy safflor yellow A

>  <Synonyms> (101)
2, 4-Di-b-D-glucopyranosyl-3, 4, 5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl-1-oxo-2-propen-1-yl)-2, 5-cyclohexadien-1-one; Safflomin A

>  <Target> (101)
Immunology & Inflammation related

>  <Form> (101)
free base

>  <CAS> (101)
78281-02-4

>  <URL> (101)
https://www.selleckchem.com/products/hydroxy-safflor-yellow-a.html

$$$$

csChFnd80/09242411012D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    6.0139    2.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6490    5.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    4.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (102)
4223

>  <Formula> (102)
C20H28O5

>  <MolWeight> (102)
348.43332

>  <Cat> (102)
S9101

>  <Name> (102)
Ingenol

>  <Target> (102)
PKC

>  <Form> (102)
free base

>  <CAS> (102)
30220-46-3

>  <URL> (102)
https://www.selleckchem.com/products/ingenol.html

$$$$
S9141 Berbamine.cdx
csChFnd80/09242411012D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (103)
4256

>  <Formula> (103)
C37H40N2O6

>  <MolWeight> (103)
608.7233

>  <Cat> (103)
S9141

>  <Name> (103)
Berbamine

>  <Synonyms> (103)
BA, BBM

>  <Target> (103)
Apoptosis related,Bcr-Abl,CaMK,NF-¦ÊB

>  <Form> (103)
free base

>  <CAS> (103)
478-61-5

>  <URL> (103)
https://www.selleckchem.com/products/berbamine.html

$$$$
S9288 Casticin.cdx
csChFnd80/09242411012D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (104)
4365

>  <Formula> (104)
C19H18O8

>  <MolWeight> (104)
374.34142

>  <Cat> (104)
S9288

>  <Name> (104)
Casticin

>  <Synonyms> (104)
Vitexicarpin

>  <Target> (104)
Immunology & Inflammation related

>  <Form> (104)
free base

>  <CAS> (104)
479-91-4

>  <URL> (104)
https://www.selleckchem.com/products/casticin.html

$$$$
S9309 Micheliolide.cdx
csChFnd80/09242411012D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.2192    3.2074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5 21  1  6  0  0  0
M  END
>  <Mol_ID> (105)
4379

>  <Formula> (105)
C15H20O3

>  <MolWeight> (105)
248.3175

>  <Cat> (105)
S9309

>  <Name> (105)
Micheliolide

>  <Target> (105)
Immunology & Inflammation related

>  <Form> (105)
free base

>  <CAS> (105)
68370-47-8

>  <URL> (105)
https://www.selleckchem.com/products/micheliolide.html

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/09242411012D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (106)
4538

>  <Formula> (106)
C22H27Cl2N7O2S

>  <MolWeight> (106)
524.46648

>  <Cat> (106)
S5254

>  <Name> (106)
Dasatinib hydrochloride

>  <Synonyms> (106)
BMS-354825 HCl

>  <Target> (106)
Bcr-Abl,kit,Src

>  <Form> (106)
hydrochloride

>  <CAS> (106)
854001-07-3

>  <URL> (106)
https://www.selleckchem.com/products/dasatinib-hydrochloride.html

$$$$

csChFnd80/09242411012D

 32 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (107)
4725

>  <Formula> (107)
C24H29N5O3

>  <MolWeight> (107)
435.51876

>  <Cat> (107)
S8772

>  <Name> (107)
LY 3200882

>  <Synonyms> (107)
N/A

>  <Target> (107)
TGF-beta/Smad

>  <Form> (107)
Free Base

>  <CAS> (107)
1898283-02-7

>  <URL> (107)
http://www.selleckchem.com/products/ly3200882.html

$$$$

csChFnd80/09242411012D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0179    1.0772    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
>  <Mol_ID> (108)
5075

>  <Formula> (108)
C21H19ClNO4+

>  <MolWeight> (108)
384.83286

>  <Cat> (108)
S1292

>  <Name> (108)
Chelerythrine Chloride (NSC 646662)

>  <Synonyms> (108)
Broussonpapyrine chloride

>  <Target> (108)
PKC

>  <Form> (108)
Chloride

>  <CAS> (108)
3895-92-9

>  <URL> (108)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/09242411012D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.5080    2.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2908    1.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.2834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6810    1.4038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4318    3.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7289    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  3  2  1  0  0  0  0
  9  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  6  5  2  0  0  0  0
 20  5  1  0  0  0  0
 23  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 17 10  1  0  0  0  0
 19 11  2  0  0  0  0
 16 12  2  0  0  0  0
 18 13  1  0  0  0  0
 14 18  2  0  0  0  0
 21 14  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 22 15  1  0  0  0  0
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 26 20  2  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 23 27  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (109)
5151

>  <Formula> (109)
C23H19NO3

>  <MolWeight> (109)
357.40186

>  <Cat> (109)
S6424

>  <Name> (109)
TAS-301

>  <Synonyms> (109)
N/A

>  <Target> (109)
PKC

>  <Form> (109)
Free Base

>  <CAS> (109)
193620-69-8

>  <URL> (109)
http://www.selleck.cn/products/tas-301.html

$$$$

csChFnd80/09242411012D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  7  8  2  0  0  0  0
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 19 20  2  0  0  0  0
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 16 21  2  0  0  0  0
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  6 11  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (110)
6493

>  <Formula> (110)
C16H14N2O2S2

>  <MolWeight> (110)
330.42456

>  <Cat> (110)
S6536

>  <Name> (110)
TTP 22

>  <Synonyms> (110)
N/A

>  <Target> (110)
Casein Kinase

>  <Form> (110)
free base

>  <CAS> (110)
329907-28-0

>  <URL> (110)
http://www.selleck.cn/products/ttp-22.html

$$$$

csChFnd80/09242411012D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (111)
6515

>  <Formula> (111)
C20H25F3N6O3

>  <MolWeight> (111)
454.4461096

>  <Cat> (111)
S6577

>  <Name> (111)
PKC-theta inhibitor

>  <Synonyms> (111)
N/A

>  <Target> (111)
PKC

>  <Form> (111)
free base

>  <CAS> (111)
736048-65-0

>  <URL> (111)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/09242411012D

 28 31  0  0  0  0  0  0  0  0999 V2000
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>  <Target> (113)
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1099644-42-4

>  <URL> (113)
http://www.selleck.cn/products/itd-1.html

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M  END
>  <Mol_ID> (116)
6677

>  <Formula> (116)
C18H37NO2

>  <MolWeight> (116)
299.49188

>  <Cat> (116)
S2210

>  <Name> (116)
Sphingosine

>  <Synonyms> (116)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (116)
Others

>  <Form> (116)
Free Base

>  <CAS> (116)
123-78-4

>  <URL> (116)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/09242411012D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (117)
6679

>  <Formula> (117)
C31H34N4O2

>  <MolWeight> (117)
494.62726

>  <Cat> (117)
S2234

>  <Name> (117)
BIBF-0775

>  <Synonyms> (117)
N/A

>  <Target> (117)
TGF-beta/Smad

>  <Form> (117)
Free Base

>  <CAS> (117)
334951-90-5

>  <URL> (117)
http://www.selleck.cn/products/bibf-0775.html

$$$$

csChFnd80/09242411012D

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  6 10  1  0  0  0  0
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M  END
>  <Mol_ID> (118)
6691

>  <Formula> (118)
C20H31N3O

>  <MolWeight> (118)
329.47964

>  <Cat> (118)
S6654

>  <Name> (118)
SRI-011381

>  <Synonyms> (118)
N/A

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

>  <Form> (118)
Free Base

>  <CAS> (118)
1629138-41-5

>  <URL> (118)
http://www.selleck.cn/products/sri-011381.html

$$$$

csChFnd80/09242411012D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (119)
6697

>  <Formula> (119)
C26H30F3N7O2

>  <MolWeight> (119)
529.5573096

>  <Cat> (119)
S6662

>  <Name> (119)
AST-487 (NVP-AST487)

>  <Synonyms> (119)
N/A

>  <Target> (119)
Bcr-Abl,c-Kit,c-RET,FLT3

>  <Form> (119)
Free Base

>  <CAS> (119)
630124-46-8

>  <URL> (119)
http://www.selleck.cn/products/ast-487.html

$$$$

csChFnd80/09242411012D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  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  7  2  0  0  0  0
  9 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  9  1  0  0  0  0
 18 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  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
 26 29  1  0  0  0  0
 16 30  1  0  0  0  0
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M  END
>  <Mol_ID> (120)
6704

>  <Formula> (120)
C23H19ClF2N2O3

>  <MolWeight> (120)
444.8583664

>  <Cat> (120)
S6673

>  <Name> (120)
CCG-222740

>  <Synonyms> (120)
N/A

>  <Target> (120)
Actin,Rho

>  <Form> (120)
Free Base

>  <CAS> (120)
1922098-69-8

>  <URL> (120)
http://www.selleck.cn/products/ccg-222740.html

$$$$

csChFnd80/09242411012D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 18  2  0  0  0  0
 19 21  2  0  0  0  0
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 16 23  1  0  0  0  0
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M  END
>  <Mol_ID> (121)
6782

>  <Formula> (121)
C19H19N5

>  <MolWeight> (121)
317.38766

>  <Cat> (121)
S2642

>  <Name> (121)
1-Naphthyl PP1(1-NA-PP1)

>  <Synonyms> (121)
N/A

>  <Target> (121)
Bcr-Abl,CaMK,CDK,PKD,Src

>  <Form> (121)
Free Base

>  <CAS> (121)
221243-82-9

>  <URL> (121)
http://www.selleckchem.com/products/1-na-pp1.html

$$$$

csChFnd80/09242411012D

 27 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
  5  6  2  0  0  0  0
  1  6  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
  7 11  1  0  0  0  0
 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 15 18  1  0  0  0  0
  7 12  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  1  0  0  0  0
  9 21  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (122)
6785

>  <Formula> (122)
C20H13FN4O2

>  <MolWeight> (122)
360.3412232

>  <Cat> (122)
S5183

>  <Name> (122)
PD 169316

>  <Synonyms> (122)
N/A

>  <Target> (122)
Enterovirus,p38 MAPK,TGF-beta/Smad

>  <Form> (122)
Free Base

>  <CAS> (122)
152121-53-4

>  <URL> (122)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/09242411012D

 25 28  0  0  0  0  0  0  0  0999 V2000
    9.9333    6.0742    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2695    0.0000 F   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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  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
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 11 16  1  0  0  0  0
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 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
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 15 24  2  0  0  0  0
 16 20  2  0  0  0  0
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M  END
>  <Mol_ID> (123)
6812

>  <Formula> (123)
C20H13F2N3

>  <MolWeight> (123)
333.3341264

>  <Cat> (123)
S6807

>  <Name> (123)
TA-02

>  <Synonyms> (123)
N/A

>  <Target> (123)
p38 MAPK,TGF-beta/Smad

>  <Form> (123)
Free Base

>  <CAS> (123)
1784751-19-4

>  <URL> (123)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/09242411012D

 61 66  0  0  0  0  0  0  0  0999 V2000
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    1.9059   12.5300    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.6912   13.1985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 41  1  0  0  0  0
  1 45  1  0  0  0  0
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 21  5  1  6  0  0  0
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  8 30  2  0  0  0  0
  9 32  1  0  0  0  0
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 10 40  1  0  0  0  0
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 12 22  1  0  0  0  0
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 23 13  1  1  0  0  0
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 36 40  1  0  0  0  0
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 39 41  1  0  0  0  0
 41 42  2  0  0  0  0
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 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
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 55 57  1  0  0  0  0
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 57 59  2  0  0  0  0
 58 60  2  0  0  0  0
 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (124)
6828

>  <Formula> (124)
C43H46F3N7O7S

>  <MolWeight> (124)
861.9282496

>  <Cat> (124)
S8888

>  <Name> (124)
GMB-475

>  <Synonyms> (124)
N/A

>  <Target> (124)
Bcr-Abl,E3 Ligase ,PROTAC

>  <Form> (124)
Free Base

>  <CAS> (124)
2490599-18-1

>  <URL> (124)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/09242411012D

 18 20  0  0  0  0  0  0  0  0999 V2000
   12.2792    1.2124    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (125)
6864

>  <Formula> (125)
C14H10BrNOS

>  <MolWeight> (125)
320.2043

>  <Cat> (125)
S0523

>  <Name> (125)
SB 4

>  <Synonyms> (125)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (125)
TGF-beta/Smad

>  <Form> (125)
Free Base

>  <CAS> (125)
100874-08-6

>  <URL> (125)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/09242411012D

 38 41  0  0  0  0  0  0  0  0999 V2000
   10.4632    1.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8421    0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7411    1.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5642    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1200    1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6028    0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9821    0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   13.1740    4.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6954    5.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3168    5.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4164    4.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8945    3.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2731    3.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  5  6  1  0  0  0  0
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  7  8  1  0  0  0  0
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  5 10  2  0  0  0  0
  3  5  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
 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 14 20  2  0  0  0  0
 15 17  2  0  0  0  0
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 11 22  1  0  0  0  0
 18 23  1  0  0  0  0
 20 24  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
 29 33  1  0  0  0  0
 27 34  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 28 35  1  0  0  0  0
 25 26  1  0  0  0  0
 19 25  1  0  0  0  0
  1 17  1  0  0  0  0
 31 38  1  0  0  0  0
M  END
>  <Mol_ID> (126)
6897

>  <Formula> (126)
C30H28O8

>  <MolWeight> (126)
516.53852

>  <Cat> (126)
S7862

>  <Name> (126)
Rottlerin

>  <Synonyms> (126)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (126)
PKC

>  <Form> (126)
Free Base

>  <CAS> (126)
82-08-6

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

$$$$

csChFnd80/09242411012D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.7024    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8098    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7024    3.3167    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
    3.5122    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8098    4.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    4.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    3.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0222    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2346    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4471    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2346    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7217    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1465    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.7838    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9963    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2087    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9963    0.0000    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
  3  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  1  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
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 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 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (127)
6970

>  <Formula> (127)
C23H40N2O3

>  <MolWeight> (127)
392.5753

>  <Cat> (127)
S0752

>  <Name> (127)
AUDA

>  <Synonyms> (127)
N/A

>  <Target> (127)
Epoxide Hydrolase,Interleukins,MMP,p38 MAPK,TGF-beta/Smad,TNF-alpha

>  <Form> (127)
free base

>  <CAS> (127)
479413-70-2

>  <URL> (127)
http://www.selleckchem.com/products/auda.html

$$$$

csChFnd80/09242411012D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4250    5.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2126    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  8  2  1  1  0  0  0
  9  3  1  6  0  0  0
 10  4  1  1  0  0  0
 11  5  1  6  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (128)
7002

>  <Formula> (128)
C7H14O6

>  <MolWeight> (128)
194.18246

>  <Cat> (128)
S3223

>  <Name> (128)
L-Quebrachitol

>  <Synonyms> (128)
L-QCT

>  <Target> (128)
NF-¦ÊB,RUNX,TGF-beta/Smad,Wnt/beta-catenin

>  <Form> (128)
free base

>  <CAS> (128)
642-38-6

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

$$$$

csChFnd80/09242411012D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  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
 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
  8 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (129)
7013

>  <Formula> (129)
C18H20O5

>  <MolWeight> (129)
316.3484

>  <Cat> (129)
S3242

>  <Name> (129)
Loureirin B

>  <Synonyms> (129)
LB, LrB

>  <Target> (129)
Calcium Channel,ERK,JNK,PAI-1,Potassium Channel

>  <Form> (129)
free base

>  <CAS> (129)
119425-90-0

>  <URL> (129)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/09242411012D

 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> (130)
7038

>  <Formula> (130)
C30H16O8

>  <MolWeight> (130)
504.44324

>  <Cat> (130)
S3273

>  <Name> (130)
Hypericin

>  <Synonyms> (130)
Hyp, HY

>  <Target> (130)
Hydroxylase,MAO,P450 (e.g. CYP17),PKC,Reverse Transcriptase,Telomerase

>  <Form> (130)
free base

>  <CAS> (130)
548-04-9

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

$$$$

csChFnd80/09242411012D

 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> (131)
7051

>  <Formula> (131)
C19H12O7

>  <MolWeight> (131)
352.29438

>  <Cat> (131)
S3289

>  <Name> (131)
Daphnoretin

>  <Synonyms> (131)
Dephnoretin, Thymelol

>  <Target> (131)
Akt,Apoptosis related,PKC

>  <Form> (131)
free base

>  <CAS> (131)
2034-69-7

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

$$$$

csChFnd80/09242411012D

 35 42  0  0  0  0  0  0  0  0999 V2000
    4.3424    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3424    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5549    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7673    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7673    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5549    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7374    6.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1018    7.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    7.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    6.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260    8.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    7.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    5.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1374    6.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8374    7.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1374    8.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7374    8.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1273    5.3424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3747    5.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1557    7.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7270    5.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7170    6.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3546    7.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0023    8.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5700   10.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4374   10.9116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3048   10.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7824   10.7887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9901    3.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5549    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7673    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 10 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 11  1  0  0  0  0
  8 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19  9  2  0  0  0  0
  9 10  1  0  0  0  0
  7  8  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
  5 20  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 22  2  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 19  1  0  0  0  0
 27 30  2  0  0  0  0
  1 31  1  6  0  0  0
  2 32  1  1  0  0  0
  3 34  1  1  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (132)
7162

>  <Formula> (132)
C28H26N4O3

>  <MolWeight> (132)
466.53104

>  <Cat> (132)
S1421

>  <Name> (132)
Staurosporine (AM-2282)

>  <Synonyms> (132)
Antibiotic AM-2282, STS

>  <Target> (132)
ADC Cytotoxin,Antineoplastic and Immunosuppressive Antibiotics,CaMK,PKA,PKC,PKG,S6 Kinase

>  <Form> (132)
Free Base

>  <CAS> (132)
62996-74-1

>  <URL> (132)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/09242411012D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0930    0.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0941    2.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8715    0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3021    0.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8739    2.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3045    2.8433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6678    0.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5074    0.7240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6689    2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5084    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141    0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7198    0.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    0.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (133)
7218

>  <Formula> (133)
C19H20O5

>  <MolWeight> (133)
328.3591

>  <Cat> (133)
S9264

>  <Name> (133)
Decursin

>  <Synonyms> (133)
N/A

>  <Target> (133)
Immunology & Inflammation related

>  <Form> (133)
Free Base

>  <CAS> (133)
5928-25-6

>  <URL> (133)
https://www.selleckchem.com/products/decursin.html

$$$$

csChFnd80/09242411012D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 21 22  2  0  0  0  0
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M  END
>  <Mol_ID> (134)
7262

>  <Formula> (134)
C16H15FN2O4

>  <MolWeight> (134)
318.2997032

>  <Cat> (134)
S0153

>  <Name> (134)
SJ000291942

>  <Synonyms> (134)
N/A

>  <Target> (134)
TGF-beta/Smad

>  <Form> (134)
Free Base

>  <CAS> (134)
425613-09-8

>  <URL> (134)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/09242411012D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 22 17  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
>  <Mol_ID> (135)
7288

>  <Formula> (135)
C17H16FN5

>  <MolWeight> (135)
309.3408432

>  <Cat> (135)
S0373

>  <Name> (135)
CZC-8004

>  <Synonyms> (135)
CZC-00008004

>  <Target> (135)
Bcr-Abl

>  <Form> (135)
Free Base

>  <CAS> (135)
916603-07-1

>  <URL> (135)
https://www.selleckchem.com/products/czc-8004.html

$$$$

csChFnd80/09242411012D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.7525    3.2763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7722    5.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    3.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2164    6.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  4  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
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  1  9  1  0  0  0  0
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 10 11  2  0  0  0  0
  3 10  1  0  0  0  0
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 16 19  1  0  0  0  0
 12 13  1  0  0  0  0
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 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (136)
7309

>  <Formula> (136)
C16H12ClNO

>  <MolWeight> (136)
269.72558

>  <Cat> (136)
S0780

>  <Name> (136)
Oncrasin-1

>  <Synonyms> (136)
N/A

>  <Target> (136)
DNA/RNA Synthesis,PKC

>  <Form> (136)
Free Base

>  <CAS> (136)
75629-57-1

>  <URL> (136)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/09242411012D

 32 36  0  0  0  0  0  0  0  0999 V2000
   11.3555    6.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2923    5.6084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 28  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
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  3 18  1  0  0  0  0
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  8 25  2  0  0  0  0
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 10 29  2  0  0  0  0
 11 12  1  0  0  0  0
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 14 15  2  0  0  0  0
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 18 20  1  0  0  0  0
 21 24  1  0  0  0  0
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 26 28  1  0  0  0  0
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 28 30  2  0  0  0  0
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M  END
>  <Mol_ID> (137)
7334

>  <Formula> (137)
C22H31N9O

>  <MolWeight> (137)
437.54124

>  <Cat> (137)
S1272

>  <Name> (137)
XL228

>  <Synonyms> (137)
N/A

>  <Target> (137)
Aurora Kinase,Bcr-Abl,IGF-1R,Src

>  <Form> (137)
Free Base

>  <CAS> (137)
898280-07-4

>  <URL> (137)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/09242411012D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.1332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 20  2  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (138)
7346

>  <Formula> (138)
C13H17Cl2N3O2S

>  <MolWeight> (138)
350.26398

>  <Cat> (138)
S2964

>  <Name> (138)
HA-100 dihydrochloride

>  <Synonyms> (138)
N/A

>  <Target> (138)
MLCK,PKA,PKC,PKG

>  <Form> (138)
Dihydrochloride

>  <CAS> (138)
210297-47-5

>  <URL> (138)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/09242411012D

 41 43  0  0  0  0  0  0  0  0999 V2000
   10.9474   11.1516    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    1.9124    7.1876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    9.6124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9911    8.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   12.6001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374   14.7544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    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 28  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  1  0  0  0  0
  5 24  2  0  0  0  0
  7 14  1  0  0  0  0
  7 25  1  0  0  0  0
  7 29  1  0  0  0  0
  8 15  1  0  0  0  0
  8 24  1  0  0  0  0
  9 21  1  0  0  0  0
  9 33  1  0  0  0  0
 10 29  2  0  0  0  0
 10 30  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  2  0  0  0  0
 12 33  2  0  0  0  0
 12 37  1  0  0  0  0
 13 39  1  0  0  0  0
 13 41  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 28  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 27  1  0  0  0  0
 22 31  1  0  0  0  0
 25 30  2  0  0  0  0
 26 27  2  0  0  0  0
 30 32  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  2  0  0  0  0
 36 37  2  0  0  0  0
 38 40  2  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (139)
7771

>  <Formula> (139)
C28H25ClF3N7O2

>  <MolWeight> (139)
583.9920096

>  <Cat> (139)
S4895

>  <Name> (139)
Nilotinib hydrochloride monohydrate

>  <Synonyms> (139)
Tasigna, AMN-107 hydrochloride monohydrate

>  <Target> (139)
AMPK,Autophagy,Bcr-Abl

>  <Form> (139)
Hydrochloride monohydrate

>  <CAS> (139)
923288-90-8

>  <URL> (139)
http://www.selleckchem.com/products/nilotinib-hydrochloride-monohydrate.html

$$$$

csChFnd80/09242411012D

 40 45  0  0  0  0  0  0  0  0999 V2000
    7.4067    5.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3382    1.3912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6728    5.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3696    7.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6134    8.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5722    5.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6021    4.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229    3.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7819    3.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1281    3.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    4.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    5.6140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6215    1.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31  5  2  0  0  0  0
 23 11  1  0  0  0  0
  8 11  2  0  0  0  0
 26  4  1  0  0  0  0
 12 29  1  0  0  0  0
 36 24  2  0  0  0  0
 19  8  1  0  0  0  0
 28 20  1  0  0  0  0
 15 21  1  0  0  0  0
 27 33  1  0  0  0  0
  7  8  1  0  0  0  0
 25 22  1  0  0  0  0
 32 10  1  0  0  0  0
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 25  5  1  0  0  0  0
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 20 30  1  0  0  0  0
 35  4  2  0  0  0  0
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 10 24  1  0  0  0  0
 21 32  2  0  0  0  0
 15  3  2  0  0  0  0
 26 23  2  0  0  0  0
 33 31  1  0  0  0  0
  3 26  1  0  0  0  0
 14 30  2  0  0  0  0
 13 23  1  0  0  0  0
 10 20  2  0  0  0  0
 12  6  1  0  0  0  0
  7  9  2  0  0  0  0
 32  9  1  0  0  0  0
  2 17  1  0  0  0  0
  5  4  1  0  0  0  0
 19 18  1  0  0  0  0
 21  1  1  0  0  0  0
 27 16  1  0  0  0  0
  6 24  1  0  0  0  0
 16  1  1  0  0  0  0
 31 15  1  0  0  0  0
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M  END
>  <Mol_ID> (140)
7811

>  <Formula> (140)
C30H26O10

>  <MolWeight> (140)
546.52144

>  <Cat> (140)
E0010

>  <Name> (140)
Hypocrellin A

>  <Synonyms> (140)
N/A

>  <Target> (140)
Antiviral,Bacterial,PKC

>  <Form> (140)
Free Base

>  <CAS> (140)
77029-83-5

>  <URL> (140)
http://www.selleckchem.com/products/hypocrellin-a.html

$$$$

csChFnd80/09242411012D

 60 68  0  0  0  0  0  0  0  0999 V2000
    5.0631   13.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4331   11.7118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4013    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1434   10.1675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9765    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4013    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9765    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5516    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5013    6.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5516    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8013    3.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6013    3.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9765    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0013    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5013    4.3876    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9013    4.3876    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7640    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9013    6.8125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6013    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5516    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.3392    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 28  1  1  6  0  0  0
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 48  8  1  1  0  0  0
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 22 27  1  0  0  0  0
 24 26  1  0  0  0  0
 25 28  1  0  0  0  0
 25 33  1  6  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 27 36  1  1  0  0  0
 28 35  1  0  0  0  0
 30 34  1  0  0  0  0
 31 34  2  0  0  0  0
 31 37  1  0  0  0  0
 32 38  1  0  0  0  0
 35 40  1  0  0  0  0
 37 39  1  0  0  0  0
 38 39  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 44  1  6  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 48  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  1  0  0  0
 50 52  1  0  0  0  0
 51 54  1  0  0  0  0
 52 53  1  0  0  0  0
 53 56  1  0  0  0  0
 54 57  1  0  0  0  0
 55 56  1  0  0  0  0
 55 60  1  1  0  0  0
 57 59  1  0  0  0  0
 58 59  1  0  0  0  0
M  END
>  <Mol_ID> (141)
7817

>  <Formula> (141)
C44H70O16

>  <MolWeight> (141)
855.017

>  <Cat> (141)
E0022

>  <Name> (141)
Ophiopogonin D

>  <Synonyms> (141)
OJV-VI, Deacetylophiopogonin C

>  <Target> (141)
AMPK,Immunology & Inflammation related,NF-¦ÊB

>  <Form> (141)
Free Base

>  <CAS> (141)
945619-74-9

>  <URL> (141)
http://www.selleckchem.com/products/ophiopogonin-d.html

$$$$

csChFnd80/09242411012D

 26 30  0  0  0  0  0  0  0  0999 V2000
    0.8229    4.4674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    6.7326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.8000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7917    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1544    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 24  1  0  0  0  0
  2 20  1  0  0  0  0
  2 24  1  0  0  0  0
  3 18  1  0  0  0  0
  3 25  1  0  0  0  0
  4 22  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 15  2  0  0  0  0
 14 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (142)
8096

>  <Formula> (142)
C21H18NO4+

>  <MolWeight> (142)
348.37192

>  <Cat> (142)
E0124

>  <Name> (142)
Chelerythrine

>  <Synonyms> (142)
Toddaline, Broussonpapyrine

>  <Target> (142)
Bcl-2,PKC

>  <Form> (142)
Free Base

>  <CAS> (142)
34316-15-9

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

$$$$

csChFnd80/09242411012D

 35 38  0  0  0  0  0  0  0  0999 V2000
    8.4868    5.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    5.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    6.7351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3399    4.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4030    5.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8357    6.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2050    6.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1418    5.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7091    4.4553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6399    2.9518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2705    3.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2301    2.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4807    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8496    4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.3351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.5352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5609    5.5375    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
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 12  6  1  0  0  0  0
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 11 20  1  0  0  0  0
  3 12  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
 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
 21 30  1  0  0  0  0
 25 30  2  0  0  0  0
 31 32  1  0  0  0  0
 28 31  1  0  0  0  0
 33 34  1  0  0  0  0
 27 33  1  0  0  0  0
  1 22  1  0  0  0  0
A   35
(E)
M  END
>  <Mol_ID> (143)
8265

>  <Formula> (143)
C28H27N3O3R

>  <MolWeight> (143)
453.53228

>  <Cat> (143)
S3552

>  <Name> (143)
SIS3

>  <Synonyms> (143)
N/A

>  <Target> (143)
TGF-beta/Smad

>  <Form> (143)
free base

>  <CAS> (143)
1009104-85-1

>  <URL> (143)
http://www.selleckchem.com/products/sis3.html

$$$$

csChFnd80/09242411012D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4250    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9122    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6998    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  3  4  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
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 11 14  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 10 20  1  0  0  0  0
  7 10  1  0  0  0  0
  2  3  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (144)
8388

>  <Formula> (144)
C25H27NO

>  <MolWeight> (144)
357.48798

>  <Cat> (144)
E0786

>  <Name> (144)
N-Desmethyltamoxifen

>  <Target> (144)
Glucosylceramide Synthase,PKC

>  <Form> (144)
free base

>  <CAS> (144)
31750-48-8

>  <URL> (144)
http://www.selleckchem.com/products/n-desmethyltamoxifen.html

$$$$

csChFnd80/09242411012D

 28 29  0  0  0  0  0  0  0  0999 V2000
   14.3003    3.9526    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (145)
8496

>  <Formula> (145)
C25H28ClNO

>  <MolWeight> (145)
393.94892

>  <Cat> (145)
E2368

>  <Name> (145)
N-Desmethyltamoxifen hydrochloride

>  <Synonyms> (145)
N-Desmethyl tamoxifen HCl

>  <Target> (145)
PKC

>  <Form> (145)
hydrochloride

>  <CAS> (145)
15917-65-4

>  <URL> (145)
http://www.selleckchem.com/products/n-desmethyltamoxifen-hydrochloride.html

$$$$

csChFnd80/09242411012D

 32 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (146)
8592

>  <Formula> (146)
C21H42N6O5

>  <MolWeight> (146)
458.59538

>  <Cat> (146)
P1164

>  <Name> (146)
LSKL, Inhibitor of Thrombospondin (TSP-1)

>  <Target> (146)
TGF-beta/Smad

>  <Form> (146)
free base

>  <CAS> (146)
283609-79-0

>  <URL> (146)
http://www.selleckchem.com/products/lskl--Inhibitor-of-thrombospondin--tsp-1--tfa-.html

$$$$
>  <Mol_ID> (147)
8595

>  <Cat> (147)
P1167

>  <Name> (147)
pm26TGF-¦Â1 peptide (TFA)

>  <Target> (147)
TGF-beta/Smad

>  <Form> (147)
free base

>  <URL> (147)
http://www.selleckchem.com/products/pm26tgf-beta1-peptide--tfa-.html

$$$$

csChFnd80/09242411012D

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M  END
>  <Mol_ID> (148)
8598

>  <Formula> (148)
C68H109N17O22S2

>  <MolWeight> (148)
1580.82376

>  <Cat> (148)
P1218

>  <Name> (148)
Disitertide(P144)

>  <Target> (148)
PI3K,TGF-beta/Smad

>  <Form> (148)
free base

>  <CAS> (148)
272105-42-7

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

$$$$

csChFnd80/09242411012D

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M  END
>  <Mol_ID> (149)
8650

>  <Formula> (149)
C33H45NO10

>  <MolWeight> (149)
615.7111

>  <Cat> (149)
E0201

>  <Name> (149)
Hypaconitine

>  <Synonyms> (149)
Deoxymesaconitine

>  <Target> (149)
Others

>  <Form> (149)
free base

>  <CAS> (149)
6900-87-4

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

$$$$

csChFnd80/09242411012D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (150)
8674

>  <Formula> (150)
C20H18FN5O

>  <MolWeight> (150)
363.3882232

>  <Cat> (150)
S7710

>  <Name> (150)
R-268712

>  <Target> (150)
TGF-beta/Smad

>  <Form> (150)
Free base

>  <CAS> (150)
879487-87-3

>  <URL> (150)
http://www.selleckchem.com/products/r-268712.html

$$$$

csChFnd80/09242411012D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (151)
8725

>  <Formula> (151)
C22H20ClF3N4O3S

>  <MolWeight> (151)
512.9324096

>  <Cat> (151)
S0345

>  <Name> (151)
Smurf1-IN-A01

>  <Synonyms> (151)
A01, SMURF1 inhibitor A01

>  <Target> (151)
E3 Ligase 

>  <Form> (151)
Free base

>  <CAS> (151)
1007647-73-5

>  <URL> (151)
http://www.selleckchem.com/products/smurf1-in-a01.html

$$$$

csChFnd80/09242411012D

 51 55  0  0  0  0  0  0  0  0999 V2000
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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
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  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
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 10  3  1  0  0  0  0
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 31 26  1  0  0  0  0
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 29 33  1  6  0  0  0
 30 34  1  6  0  0  0
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 37 40  1  0  0  0  0
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 43 44  1  0  0  0  0
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 49 50  1  0  0  0  0
 42 51  2  0  0  0  0
M  END
>  <Mol_ID> (152)
8872

>  <Formula> (152)
C34H36F3NO13

>  <MolWeight> (152)
723.6437496

>  <Cat> (152)
S9522

>  <Name> (152)
Valrubicin

>  <Synonyms> (152)
AD-32

>  <Target> (152)
PKC

>  <Form> (152)
Free base

>  <CAS> (152)
56124-62-0

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

$$$$

csChFnd80/09242411012D

 34 38  0  0  0  0  0  0  0  0999 V2000
    9.6993    7.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1863    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (153)
8968

>  <Formula> (153)
C28H23N3O2S

>  <MolWeight> (153)
465.56612

>  <Cat> (153)
E2394

>  <Name> (153)
TGF¦ÂRI-IN-3

>  <Target> (153)
TGF-beta/Smad

>  <Form> (153)
Free base

>  <CAS> (153)
2763602-67-9

>  <URL> (153)
http://www.selleckchem.com/products/tgfbetari-in-3.html

$$$$

csChFnd80/09242411012D

 35 37  0  0  0  0  0  0  0  0999 V2000
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 32 33  1  0  0  0  0
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A   35
.
M  END
>  <Mol_ID> (154)
8996

>  <Formula> (154)
C26H26N4O4R

>  <MolWeight> (154)
458.50904

>  <Cat> (154)
E2839

>  <Name> (154)
Bisindolylmaleimide VIII (acetate)

>  <Synonyms> (154)
Ro 31-7549 acetate

>  <Target> (154)
PKC

>  <Form> (154)
Acetate

>  <CAS> (154)
138516-31-1

>  <URL> (154)
http://www.selleckchem.com/products/bisindolylmaleimide-8--acetate-.html

$$$$

csChFnd80/09242411012D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    0.7000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    8.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    8.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4001    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1001    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1001    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5001    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5001    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2001    4.8498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (155)
9079

>  <Formula> (155)
C20H16N4

>  <MolWeight> (155)
312.36784

>  <Cat> (155)
E2807

>  <Name> (155)
WAY-641966

>  <Target> (155)
TGF-¦Â,p38-¦Á

>  <Form> (155)
Free base

>  <CAS> (155)
259870-32-1

>  <URL> (155)
https://www.selleckchem.com/products/way-641966.html

$$$$
