untitled.cdx
csChFnd80/04092414132D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 25 20  1  0  0  0  0
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  7 28  1  0  0  0  0
M  END
>  <Mol_ID> (1)
2

>  <Formula> (1)
C21H18FN5O

>  <MolWeight> (1)
375.3989232

>  <Cat> (1)
S1003

>  <Name> (1)
Linifanib (ABT-869)

>  <Synonyms> (1)
AL39324,RG3635

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

>  <Form> (1)
free base

>  <CAS> (1)
796967-16-3

>  <URL> (1)
http://selleckchem.com/products/ABT-869.html

$$$$
untitled.cdx
csChFnd80/04092414132D

 28 31  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
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  5  6  2  0  0  0  0
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  6  7  1  0  0  0  0
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M  END
>  <Mol_ID> (2)
4

>  <Formula> (2)
C22H18N4OS

>  <MolWeight> (2)
386.46952

>  <Cat> (2)
S1005

>  <Name> (2)
Axitinib (AG 013736)

>  <Synonyms> (2)
AG 013736

>  <Target> (2)
c-Kit,PDGFR,VEGFR

>  <Form> (2)
free base

>  <CAS> (2)
319460-85-0

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

$$$$
untitled.cdx
csChFnd80/04092414132D

 38 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3)
5

>  <Formula> (3)
C27H32ClN5O5

>  <MolWeight> (3)
542.02648

>  <Cat> (3)
S1006

>  <Name> (3)
Saracatinib (AZD0530)

>  <Synonyms> (3)
N/A

>  <Target> (3)
Autophagy,EGFR,Src

>  <Form> (3)
free base

>  <CAS> (3)
379231-04-6

>  <URL> (3)
http://selleckchem.com/products/AZD0530.html

$$$$
untitled.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (4)
7

>  <Formula> (4)
C31H33N5O4

>  <MolWeight> (4)
539.62482

>  <Cat> (4)
S1010

>  <Name> (4)
Nintedanib (BIBF 1120)

>  <Synonyms> (4)
Intedanib, Vargatef, Ofev

>  <Target> (4)
FGFR,PDGFR,Src,VEGFR

>  <Form> (4)
free base

>  <CAS> (4)
656247-17-5

>  <URL> (4)
http://selleckchem.com/products/BIBF1120.html

$$$$
untitled.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (5)
10

>  <Formula> (5)
C25H27FN4O3

>  <MolWeight> (5)
450.5052832

>  <Cat> (5)
S1017

>  <Name> (5)
Cediranib (AZD2171)

>  <Synonyms> (5)
NSC-732208

>  <Target> (5)
Autophagy,c-Kit,PDGFR,VEGFR

>  <Form> (5)
free base

>  <CAS> (5)
288383-20-0

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

$$$$
Dasatinib.cdx
csChFnd80/04092414132D

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   10.9996    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2079    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (6)
12

>  <Formula> (6)
C22H26ClN7O2S

>  <MolWeight> (6)
488.00554

>  <Cat> (6)
S1021

>  <Name> (6)
Dasatinib (BMS-354825)

>  <Synonyms> (6)
BMS-354825

>  <Target> (6)
Apoptosis related,Autophagy,Bcr-Abl,c-Kit,Src

>  <Form> (6)
free base

>  <CAS> (6)
302962-49-8

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

$$$$

csChFnd80/04092414132D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (7)
14

>  <Formula> (7)
C21H21FN6O

>  <MolWeight> (7)
392.4294432

>  <Cat> (7)
S1018

>  <Name> (7)
Dovitinib (TKI-258)

>  <Synonyms> (7)
CHIR-258

>  <Target> (7)
c-Kit,FGFR,FLT3,PDGFR,VEGFR

>  <Form> (7)
Citrate

>  <CAS> (7)
405169-16-6

>  <URL> (7)
http://selleckchem.com/products/CHIR-258.html

$$$$
untitled.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (8)
15

>  <Formula> (8)
C22H24ClFN4O3

>  <MolWeight> (8)
446.9023632

>  <Cat> (8)
S1025

>  <Name> (8)
Gefitinib (ZD1839)

>  <Synonyms> (8)
Iressa,ZD1839

>  <Target> (8)
Apoptosis related,Autophagy,EGFR

>  <Form> (8)
free base

>  <CAS> (8)
184475-35-2

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

$$$$
Imatinib Mesylate.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (9)
16

>  <Formula> (9)
C30H35N7O4S

>  <MolWeight> (9)
589.7084

>  <Cat> (9)
S1026

>  <Name> (9)
Imatinib (STI571) Mesylate

>  <Synonyms> (9)
Gleevec, Glivec, CGP-57148B,STI571

>  <Target> (9)
Autophagy,Bcr-Abl,c-Kit,PDGFR

>  <Form> (9)
Mesylate

>  <CAS> (9)
220127-57-1

>  <URL> (9)
http://selleckchem.com/products/Imatinib-Mesylate.html

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (10)
17

>  <Formula> (10)
C43H42ClFN4O10S3

>  <MolWeight> (10)
925.4607832

>  <Cat> (10)
S1028

>  <Name> (10)
Lapatinib (GW-572016) Ditosylate

>  <Synonyms> (10)
GW-572016

>  <Target> (10)
EGFR,HER2

>  <Form> (10)
Ditosylat

>  <CAS> (10)
388082-77-7

>  <URL> (10)
http://selleckchem.com/products/Lapatinib-Ditosylate.html

$$$$
untitled.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (11)
18

>  <Formula> (11)
C13H13N3O3

>  <MolWeight> (11)
259.26062

>  <Cat> (11)
S1029

>  <Name> (11)
Lenalidomide (CC-5013)

>  <Synonyms> (11)
CC-5013

>  <Target> (11)
Apoptosis related,Caspase,E3 Ligase ,E3 ligase Ligand,TNF-alpha,VEGFR

>  <Form> (11)
free base

>  <CAS> (11)
191732-72-6

>  <URL> (11)
https://www.selleckchem.com/products/lenalidomide-s1029.html

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/04092414132D

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    1.2124    7.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207   10.0698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (12)
20

>  <Formula> (12)
C22H29N5O9P2

>  <MolWeight> (12)
569.441282

>  <Cat> (12)
S1032

>  <Name> (12)
Motesanib Diphosphate (AMG-706)

>  <Synonyms> (12)
N/A

>  <Target> (12)
c-Kit,PDGFR,VEGFR

>  <Form> (12)
Diphosphate

>  <CAS> (12)
857876-30-3

>  <URL> (12)
http://selleckchem.com/products/Motesanib-Diphosphate.html

$$$$
untitled.cdx
csChFnd80/04092414132D

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    0.0000    2.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7322    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (13)
22

>  <Formula> (13)
C21H24ClN7O2S

>  <MolWeight> (13)
473.97896

>  <Cat> (13)
S1035

>  <Name> (13)
Pazopanib HCl (GW786034 HCl)

>  <Synonyms> (13)
GW786034 HCl

>  <Target> (13)
Autophagy,c-Kit,CSF-1R,FGFR,PDGFR,VEGFR

>  <Form> (13)
Hydrochloride

>  <CAS> (13)
635702-64-6

>  <URL> (13)
http://selleckchem.com/products/Pazopanib-Hydrochloride.html

$$$$

csChFnd80/04092414132D

 43 45  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
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M  END
>  <Mol_ID> (14)
28

>  <Formula> (14)
C28H24ClF3N4O6S

>  <MolWeight> (14)
637.0265696

>  <Cat> (14)
S1040

>  <Name> (14)
Sorafenib (BAY 43-9006) tosylate

>  <Synonyms> (14)
BAY 43-9006 tosylate,NSC-724772 tosylate

>  <Target> (14)
Apoptosis related,Autophagy,c-Kit,Ferroptosis,FGFR,FLT3,PDGFR,Raf,VEGFR

>  <Form> (14)
Tosylate

>  <CAS> (14)
475207-59-1

>  <URL> (14)
http://selleckchem.com/products/Sorafenib-Tosylate.html

$$$$

csChFnd80/04092414132D

 38 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (15)
30

>  <Formula> (15)
C26H33FN4O7

>  <MolWeight> (15)
532.5612232

>  <Cat> (15)
S1042

>  <Name> (15)
Sunitinib (SU11248) malate

>  <Synonyms> (15)
N/A

>  <Target> (15)
Apoptosis related,c-Kit,IRE1,Mitophagy,PDGFR,VEGFR

>  <Form> (15)
Malate

>  <CAS> (15)
341031-54-7

>  <URL> (15)
http://selleckchem.com/products/Sunitinib-Malate-(Sutent).html

$$$$
untitled.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (16)
32

>  <Formula> (16)
C23H28N8OS

>  <MolWeight> (16)
464.58642

>  <Cat> (16)
S1048

>  <Name> (16)
Tozasertib

>  <Synonyms> (16)
VX-680, MK-0457

>  <Target> (16)
Aurora Kinase,Autophagy,Bcr-Abl,FLT3

>  <Form> (16)
free base

>  <CAS> (16)
639089-54-6

>  <URL> (16)
http://selleckchem.com/products/VX-680(MK-0457).html

$$$$
untitled.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (17)
40

>  <Formula> (17)
C28H30N6OS

>  <MolWeight> (17)
498.6424

>  <Cat> (17)
S1064

>  <Name> (17)
Masitinib (AB1010)

>  <Synonyms> (17)
N/A

>  <Target> (17)
c-Kit,PDGFR

>  <Form> (17)
free base

>  <CAS> (17)
790299-79-5

>  <URL> (17)
http://selleckchem.com/products/Masitinib-(AB1010).html

$$$$
untitled.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (18)
42

>  <Formula> (18)
C22H16N4O3

>  <MolWeight> (18)
384.38744

>  <Cat> (18)
S1067

>  <Name> (18)
SB431542

>  <Synonyms> (18)
N/A

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

>  <Form> (18)
free base

>  <CAS> (18)
301836-41-9

>  <URL> (18)
http://selleckchem.com/products/SB-431542.html

$$$$
NVP-AUY922 .cdx
csChFnd80/04092414132D

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    7.5451    5.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3784    3.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0770    4.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  4  9  1  0  0  0  0
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  9 11  1  0  0  0  0
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 12 13  2  0  0  0  0
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 13 22  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
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 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 29  1  0  0  0  0
M  END
>  <Mol_ID> (19)
43

>  <Formula> (19)
C26H31N3O5

>  <MolWeight> (19)
465.54144

>  <Cat> (19)
S1069

>  <Name> (19)
Luminespib (NVP-AUY922)

>  <Synonyms> (19)
AUY-922, VER-52296

>  <Target> (19)
Apoptosis related,Autophagy,HSP (HSP90),IGF-1R

>  <Form> (19)
free base

>  <CAS> (19)
747412-49-3

>  <URL> (19)
http://selleckchem.com/products/NVP-AUY922.html

$$$$
untitled.cdx
csChFnd80/04092414132D

 39 43  0  0  0  0  0  0  0  0999 V2000
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    1.2082    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2190    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.5214    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3496    2.3090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7496    2.3090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3373    2.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  1  0  0  0  0
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 26 27  2  0  0  0  0
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 28 24  2  0  0  0  0
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 26 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 32  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <Mol_ID> (20)
49

>  <Formula> (20)
C28H30ClN5O4S

>  <MolWeight> (20)
568.0869

>  <Cat> (20)
S1080

>  <Name> (20)
SU11274

>  <Synonyms> (20)
PKI-SU11274

>  <Target> (20)
Apoptosis related,Autophagy,c-Met

>  <Form> (20)
free base

>  <CAS> (20)
658084-23-2

>  <URL> (20)
http://selleckchem.com/products/SU11274.html

$$$$
Brivanib.cdx
csChFnd80/04092414132D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.5544    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7668    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    8.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    7.7575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    5.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    3.8249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    5.2249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8 10  1  0  0  0  0
  3 11  1  0  0  0  0
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 25 27  1  6  0  0  0
M  END
>  <Mol_ID> (21)
51

>  <Formula> (21)
C19H19FN4O3

>  <MolWeight> (21)
370.3775632

>  <Cat> (21)
S1084

>  <Name> (21)
Brivanib (BMS-540215)

>  <Synonyms> (21)
N/A

>  <Target> (21)
FGFR,VEGFR

>  <Form> (21)
free base

>  <CAS> (21)
649735-46-6

>  <URL> (21)
http://selleckchem.com/products/Brivanib.html

$$$$
NVP-ADW742.cdx
csChFnd80/04092414132D

 34 39  0  0  0  0  0  0  0  0999 V2000
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IGF-1R

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475488-23-4

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http://selleckchem.com/products/NVP-ADW742.html

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>  <Mol_ID> (23)
57

>  <Formula> (23)
C44H47F2N9O5S

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GSK1904529A

>  <Synonyms> (23)
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>  <Target> (23)
IGF-1R

>  <Form> (23)
free base

>  <CAS> (23)
1089283-49-7

>  <URL> (23)
http://selleckchem.com/products/GSK1904529A.html

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (24)
58

>  <Formula> (24)
C19H16N8O

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372.38334

>  <Cat> (24)
S1094

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PF-04217903

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N/A

>  <Target> (24)
c-Met

>  <Form> (24)
free base

>  <CAS> (24)
956905-27-4

>  <URL> (24)
http://selleckchem.com/products/PF-04217903.html

$$$$
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>  <Mol_ID> (25)
62

>  <Formula> (25)
C20H17Cl3N4

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>  <Name> (25)
Vatalanib (PTK787) 2HCl

>  <Synonyms> (25)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (25)
VEGFR

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Dihydrochloride

>  <CAS> (25)
212141-51-0

>  <URL> (25)
http://selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

$$$$
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M  END
>  <Mol_ID> (26)
69

>  <Formula> (26)
C26H30N6O3

>  <MolWeight> (26)
474.5548

>  <Cat> (26)
S1107

>  <Name> (26)
Danusertib (PHA-739358)

>  <Synonyms> (26)
N/A

>  <Target> (26)
Apoptosis related,Aurora Kinase,Autophagy,Bcr-Abl,c-RET,FGFR,Trk receptor

>  <Form> (26)
free base

>  <CAS> (26)
827318-97-8

>  <URL> (26)
http://selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
1.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (27)
72

>  <Formula> (27)
C34H34F2N4O6

>  <MolWeight> (27)
632.6537664

>  <Cat> (27)
S1111

>  <Name> (27)
Foretinib (GSK1363089)

>  <Synonyms> (27)
EXEL-2880, XL-880, GSK089

>  <Target> (27)
c-Kit,c-Met,FLT3,PDGFR,VEGFR

>  <Form> (27)
free base

>  <CAS> (27)
849217-64-7

>  <URL> (27)
http://selleckchem.com/products/XL880(GSK1363089,EXEL-2880).html

$$$$
untitled.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (28)
73

>  <Formula> (28)
C19H13F2N7

>  <MolWeight> (28)
377.3502264

>  <Cat> (28)
S1114

>  <Name> (28)
JNJ-38877605

>  <Synonyms> (28)
N/A

>  <Target> (28)
c-Met

>  <Form> (28)
free base

>  <CAS> (28)
943540-75-8

>  <URL> (28)
http://selleckchem.com/products/JNJ-38877605.html

$$$$
XL-184 free base.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (29)
80

>  <Formula> (29)
C28H24FN3O5

>  <MolWeight> (29)
501.5056632

>  <Cat> (29)
S1119

>  <Name> (29)
Cabozantinib (BMS-907351)

>  <Synonyms> (29)
XL184,BMS-907351

>  <Target> (29)
Apoptosis related,Axl,c-Met,VEGFR

>  <Form> (29)
Free Base

>  <CAS> (29)
849217-68-1

>  <URL> (29)
http://selleckchem.com/products/XL184.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (30)
84

>  <Formula> (30)
C22H24FN5O4

>  <MolWeight> (30)
441.4554632

>  <Cat> (30)
S1138

>  <Name> (30)
Brivanib Alaninate (BMS-582664)

>  <Synonyms> (30)
N/A

>  <Target> (30)
FGFR,VEGFR

>  <Form> (30)
Alaninate

>  <CAS> (30)
649735-63-7

>  <URL> (30)
http://selleckchem.com/products/Brivanib-alaninate.html

$$$$
AG-490.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (31)
86

>  <Formula> (31)
C17H14N2O3

>  <MolWeight> (31)
294.30466

>  <Cat> (31)
S1143

>  <Name> (31)
AG-490 (Tyrphostin B42)

>  <Synonyms> (31)
Zinc02557947

>  <Target> (31)
EGFR,JAK

>  <Form> (31)
free base

>  <CAS> (31)
133550-30-8

>  <URL> (31)
http://selleckchem.com/products/AG-490.html

$$$$
CP-724,714.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (32)
97

>  <Formula> (32)
C27H27N5O3

>  <MolWeight> (32)
469.53498

>  <Cat> (32)
S1167

>  <Name> (32)
CP-724714

>  <Synonyms> (32)
N/A

>  <Target> (32)
EGFR,HER2

>  <Form> (32)
free base

>  <CAS> (32)
537705-08-1

>  <URL> (32)
http://selleckchem.com/products/CP-724714.html

$$$$
WZ3146.cdx
csChFnd80/04092414132D

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EGFR

>  <Form> (33)
free base

>  <CAS> (33)
1214265-56-1

>  <URL> (33)
http://selleckchem.com/products/WZ3146.html

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CYC116

>  <Synonyms> (34)
N/A

>  <Target> (34)
Aurora Kinase,VEGFR

>  <Form> (34)
free base

>  <CAS> (34)
693228-63-6

>  <URL> (34)
http://selleckchem.com/products/CYC116.html

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WZ4002

>  <Synonyms> (35)
N/A

>  <Target> (35)
EGFR

>  <Form> (35)
free base

>  <CAS> (35)
1213269-23-8

>  <URL> (35)
http://selleckchem.com/products/WZ4002.html

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>  <Cat> (36)
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>  <Name> (36)
Regorafenib (BAY 73-4506)

>  <Synonyms> (36)
Fluoro-Sorafenib, Resihance, Stivarga,BAY 73-4506

>  <Target> (36)
Autophagy,c-Kit,c-RET,PDGFR,Raf,VEGFR

>  <Form> (36)
free base

>  <CAS> (36)
755037-03-7

>  <URL> (36)
http://selleckchem.com/products/BAY-73-4506.html

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M  END
>  <Mol_ID> (37)
107

>  <Formula> (37)
C24H25ClN6OS

>  <MolWeight> (37)
481.0129

>  <Cat> (37)
S1179

>  <Name> (37)
WZ8040

>  <Synonyms> (37)
N/A

>  <Target> (37)
EGFR

>  <Form> (37)
free base

>  <CAS> (37)
1214265-57-2

>  <URL> (37)
http://selleckchem.com/products/WZ8040.html

$$$$
ENMD-2076.cdx
csChFnd80/04092414132D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (38)
109

>  <Formula> (38)
C21H25N7

>  <MolWeight> (38)
375.4701

>  <Cat> (38)
S1181

>  <Name> (38)
ENMD-2076

>  <Synonyms> (38)
N/A

>  <Target> (38)
Apoptosis related,Aurora Kinase,CSF-1R,FGFR,FLT3,PDGFR,Src,VEGFR

>  <Form> (38)
Tartaric Acid

>  <CAS> (38)
934353-76-1

>  <URL> (38)
http://selleckchem.com/products/enmd-2076.html

$$$$
Aprepitant.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (39)
114

>  <Formula> (39)
C23H21F7N4O3

>  <MolWeight> (39)
534.4266624

>  <Cat> (39)
S1189

>  <Name> (39)
Aprepitant (MK-0869)

>  <Synonyms> (39)
MK-0869, L-754030, Emend

>  <Target> (39)
CSF-1R,HIV,Interleukins,Neurokinin Receptor,TNF-alpha

>  <Form> (39)
free base

>  <CAS> (39)
170729-80-3

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

$$$$
S119401 CUDC-101.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (40)
118

>  <Formula> (40)
C24H26N4O4

>  <MolWeight> (40)
434.48764

>  <Cat> (40)
S1194

>  <Name> (40)
CUDC-101

>  <Synonyms> (40)
N/A

>  <Target> (40)
EGFR,HDAC,HER2

>  <Form> (40)
free base

>  <CAS> (40)
1012054-59-9

>  <URL> (40)
http://selleckchem.com/products/CUDC-101.html

$$$$
AV-951.cdx
csChFnd80/04092414132D

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C22H19ClN4O5

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Tivozanib (AV-951)

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KRN-951

>  <Target> (41)
c-Kit,PDGFR,VEGFR

>  <Form> (41)
free base

>  <CAS> (41)
475108-18-0

>  <URL> (41)
http://selleckchem.com/products/AV-951.html

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OSI-930

>  <Synonyms> (42)
N/A

>  <Target> (42)
c-Kit,CSF-1R,VEGFR

>  <Form> (42)
free base

>  <CAS> (42)
728033-96-3

>  <URL> (42)
http://selleckchem.com/products/OSI-930.html

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>  <Mol_ID> (43)
142

>  <Formula> (43)
C23H21N5O3S

>  <MolWeight> (43)
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>  <Cat> (43)
S1244

>  <Name> (43)
Amuvatinib (MP-470)

>  <Synonyms> (43)
HPK 56

>  <Target> (43)
Apoptosis related,c-Kit,c-Met,c-RET,FLT3,PDGFR,RAD51

>  <Form> (43)
free base

>  <CAS> (43)
850879-09-3

>  <URL> (43)
http://selleckchem.com/products/MP-470.html

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>  <Mol_ID> (44)
155

>  <Formula> (44)
C28H41N7O3

>  <MolWeight> (44)
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>  <Cat> (44)
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>  <Name> (44)
PD173074

>  <Synonyms> (44)
N/A

>  <Target> (44)
Apoptosis related,FGFR,VEGFR

>  <Form> (44)
free base

>  <CAS> (44)
219580-11-7

>  <URL> (44)
http://selleckchem.com/products/PD-173074.html

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>  <Mol_ID> (45)
213

>  <Formula> (45)
C22H29FO5

>  <MolWeight> (45)
392.4610632

>  <Cat> (45)
S1322

>  <Name> (45)
Dexamethasone (MK-125)

>  <Synonyms> (45)
NSC 34521, Hexadecadrol, Prednisolone F,MK-125

>  <Target> (45)
Autophagy,Complement System,COVID-19,Glucocorticoid Receptor,IL Receptor,Mitophagy

>  <Form> (45)
free base

>  <CAS> (45)
50-02-2

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

$$$$
Genistein.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (46)
221

>  <Formula> (46)
C15H10O5

>  <MolWeight> (46)
270.2369

>  <Cat> (46)
S1342

>  <Name> (46)
Genistein (NPI 031L)

>  <Synonyms> (46)
NPI 031L

>  <Target> (46)
EGFR,Topoisomerase

>  <Form> (46)
free base

>  <CAS> (46)
446-72-0

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

$$$$
mgcd265.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (47)
228

>  <Formula> (47)
C26H20FN5O2S2

>  <MolWeight> (47)
517.5977032

>  <Cat> (47)
S1361

>  <Name> (47)
MGCD-265 analog

>  <Synonyms> (47)
N/A

>  <Target> (47)
c-Met,RON,Tie-2,VEGFR

>  <Form> (47)
free base

>  <CAS> (47)
875337-44-3

>  <URL> (47)
https://www.selleckchem.com/products/mgcd-265-analog.html

$$$$
KI8751.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (48)
230

>  <Formula> (48)
C24H18F3N3O4

>  <MolWeight> (48)
469.4126296

>  <Cat> (48)
S1363

>  <Name> (48)
Ki8751

>  <Synonyms> (48)
N/A

>  <Target> (48)
c-Kit,PDGFR,VEGFR

>  <Form> (48)
free base

>  <CAS> (48)
228559-41-9

>  <URL> (48)
http://selleckchem.com/products/Ki8751.html

$$$$
Pelitinib.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (49)
246

>  <Formula> (49)
C24H23ClFN5O2

>  <MolWeight> (49)
467.9231232

>  <Cat> (49)
S1392

>  <Name> (49)
Pelitinib (EKB-569)

>  <Synonyms> (49)
N/A

>  <Target> (49)
EGFR,MEK,Src

>  <Form> (49)
free base

>  <CAS> (49)
257933-82-7

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

$$$$
PHA-6806320.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (50)
278

>  <Formula> (50)
C28H35N7O2

>  <MolWeight> (50)
501.6232

>  <Cat> (50)
S1454

>  <Name> (50)
PHA-680632

>  <Synonyms> (50)
N/A

>  <Target> (50)
Aurora Kinase

>  <Form> (50)
free base

>  <CAS> (50)
398493-79-3

>  <URL> (50)
http://selleckchem.com/products/PHA-680632.html

$$$$
sp600125.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (51)
282

>  <Formula> (51)
C14H8N2O

>  <MolWeight> (51)
220.22612

>  <Cat> (51)
S1460

>  <Name> (51)
SP600125

>  <Synonyms> (51)
Nsc75890

>  <Target> (51)
Apoptosis related,Aurora Kinase,Autophagy,FLT3,JNK,Serine/threonin kinase,Trk receptor

>  <Form> (51)
free base

>  <CAS> (51)
129-56-6

>  <URL> (51)
http://selleckchem.com/products/SP600125.html

$$$$
TSU-68 (SU6668).cdx
csChFnd80/04092414132D

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>  <Mol_ID> (52)
289

>  <Formula> (52)
C18H18N2O3

>  <MolWeight> (52)
310.34712

>  <Cat> (52)
S1470

>  <Name> (52)
Orantinib (SU6668)

>  <Synonyms> (52)
TSU-68

>  <Target> (52)
PDGFR

>  <Form> (52)
free base

>  <CAS> (52)
252916-29-3

>  <URL> (52)
http://selleckchem.com/products/TSU-68(SU6668).html

$$$$
SB525334.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (53)
293

>  <Formula> (53)
C21H21N5

>  <MolWeight> (53)
343.42494

>  <Cat> (53)
S1476

>  <Name> (53)
SB525334

>  <Synonyms> (53)
N/A

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

>  <Form> (53)
free base

>  <CAS> (53)
356559-20-1

>  <URL> (53)
http://selleckchem.com/products/SB-525334.html

$$$$
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csChFnd80/04092414132D

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>  <Mol_ID> (54)
300

>  <Formula> (54)
C27H32N6

>  <MolWeight> (54)
440.58318

>  <Cat> (54)
S1486

>  <Name> (54)
AEE788 (NVP-AEE788)

>  <Synonyms> (54)
N/A

>  <Target> (54)
EGFR,HER2,VEGFR

>  <Form> (54)
free base

>  <CAS> (54)
497839-62-0

>  <URL> (54)
http://selleckchem.com/products/AEE788.html

$$$$
AP24534.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (55)
304

>  <Formula> (55)
C29H27F3N6O

>  <MolWeight> (55)
532.5594896

>  <Cat> (55)
S1490

>  <Name> (55)
Ponatinib (AP24534)

>  <Synonyms> (55)
AP24534

>  <Target> (55)
Autophagy,Bcr-Abl,FGFR,PDGFR,Src,VEGFR

>  <Form> (55)
free base

>  <CAS> (55)
943319-70-8

>  <URL> (55)
http://selleckchem.com/products/AP24534.html

$$$$
AC220.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (56)
317

>  <Formula> (56)
C29H32N6O4S

>  <MolWeight> (56)
560.66718

>  <Cat> (56)
S1526

>  <Name> (56)
Quizartinib (AC220)

>  <Synonyms> (56)
N/A

>  <Target> (56)
Apoptosis related,FLT3,Target Protein Ligand

>  <Form> (56)
free base

>  <CAS> (56)
950769-58-1

>  <URL> (56)
http://selleckchem.com/products/AC-220.html

$$$$
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csChFnd80/04092414132D

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>  <Mol_ID> (57)
327

>  <Formula> (57)
C22H23FN6O5

>  <MolWeight> (57)
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S1533

>  <Name> (57)
R406 (free base)

>  <Synonyms> (57)
N/A

>  <Target> (57)
Apoptosis related,FLT3,Syk

>  <Form> (57)
free base

>  <CAS> (57)
841290-80-0

>  <URL> (57)
http://selleckchem.com/products/R406(free-base).html

$$$$
DMXAA.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (58)
328

>  <Formula> (58)
C17H14O4

>  <MolWeight> (58)
282.29066

>  <Cat> (58)
S1537

>  <Name> (58)
Vadimezan (ASA404)

>  <Synonyms> (58)
NSC 640488, DMXAA

>  <Target> (58)
Antiviral,IFN,STING,TNF-alpha,VDA

>  <Form> (58)
free base

>  <CAS> (58)
117570-53-3

>  <URL> (58)
http://selleckchem.com/products/DMXAA(ASA404).html

$$$$
KRN633.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (59)
339

>  <Formula> (59)
C20H21ClN4O4

>  <MolWeight> (59)
416.85814

>  <Cat> (59)
S1557

>  <Name> (59)
KRN 633

>  <Synonyms> (59)
N/A

>  <Target> (59)
VEGFR

>  <Form> (59)
free base

>  <CAS> (59)
286370-15-8

>  <URL> (59)
http://selleckchem.com/products/KRN-633.html

$$$$
BMS777607.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (60)
341

>  <Formula> (60)
C25H19ClF2N4O4

>  <MolWeight> (60)
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>  <Cat> (60)
S1561

>  <Name> (60)
BMS-777607

>  <Synonyms> (60)
BMS 817378

>  <Target> (60)
Axl,c-Met,RON,Tyro3

>  <Form> (60)
free base

>  <CAS> (60)
1025720-94-8

>  <URL> (60)
http://selleckchem.com/products/BMS-777607.html

$$$$
ALVESCO (ciclesonide).cdx
csChFnd80/04092414132D

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>  <Mol_ID> (61)
343

>  <Formula> (61)
C13H11N3O4

>  <MolWeight> (61)
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>  <Cat> (61)
S1567

>  <Name> (61)
Pomalidomide (CC-4047)

>  <Synonyms> (61)
CC-4047

>  <Target> (61)
Apoptosis related,E3 Ligase ,E3 ligase Ligand,TNF-alpha

>  <Form> (61)
free base

>  <CAS> (61)
19171-19-8

>  <URL> (61)
http://selleckchem.com/products/Pomalidomide(CC-4047).html

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/04092414132D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    2.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    4.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0282    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    5.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    6.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375    7.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9251    6.4176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9251    5.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375    4.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7282    2.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1282    2.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8282    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1282    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7282    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2233    3.4976    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   16.9209    2.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9209    4.7058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 14  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 18 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 18  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (62)
350

>  <Formula> (62)
C26H21N3O2S

>  <MolWeight> (62)
439.52884

>  <Cat> (62)
S1577

>  <Name> (62)
Tie2 kinase inhibitor

>  <Synonyms> (62)
N/A

>  <Target> (62)
Tie-2

>  <Form> (62)
free base

>  <CAS> (62)
948557-43-5

>  <URL> (62)
http://selleckchem.com/products/Tie2-kinase-inhibitor.html

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/04092414132D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    3.0851    0.0000 H   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  2  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (63)
370

>  <Formula> (63)
C5H9NO3S

>  <MolWeight> (63)
163.19486

>  <Cat> (63)
S1623

>  <Name> (63)
Acetylcysteine (N-acetylcysteine)

>  <Synonyms> (63)
N-acetylcysteine

>  <Target> (63)
Antiviral,Apoptosis related,Ferroptosis,NF-¦ÊB,ROS,TNF-alpha

>  <Form> (63)
free base

>  <CAS> (63)
616-91-1

>  <URL> (63)
http://selleckchem.com/products/acetylcysteine.html

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/04092414132D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
>  <Mol_ID> (64)
405

>  <Formula> (64)
C10H20N2S4

>  <MolWeight> (64)
296.5392

>  <Cat> (64)
S1680

>  <Name> (64)
Disulfiram (NSC 190940)

>  <Synonyms> (64)
NSC 190940, Tetraethylthiuram disulfide, TETD

>  <Target> (64)
Apoptosis related,COVID-19,Dehydrogenase,Pyroptosis

>  <Form> (64)
free base

>  <CAS> (64)
97-77-8

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

$$$$
APRISO (mesalamine).cdx
csChFnd80/04092414132D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (65)
406

>  <Formula> (65)
C7H7NO3

>  <MolWeight> (65)
153.13538

>  <Cat> (65)
S1681

>  <Name> (65)
Mesalamine (5-ASA)

>  <Synonyms> (65)
5-Aminosalicylic acid, 5-ASA, Mesalazine, Apriso, Asacol, Pentasa, Canasa

>  <Target> (65)
Immunology & Inflammation related,I¦ÊB/IKK

>  <Form> (65)
free base

>  <CAS> (65)
89-57-6

>  <URL> (65)
http://selleckchem.com/products/Mesalamine(Lialda).html

$$$$
estradiol.cdx
csChFnd80/04092414132D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
M  END
>  <Mol_ID> (66)
421

>  <Formula> (66)
C18H24O2

>  <MolWeight> (66)
272.38196

>  <Cat> (66)
S1709

>  <Name> (66)
Estradiol

>  <Synonyms> (66)
17¦Â-estradiol, ¦Â-Estradiol, E2, 17¦Â-Oestradiol

>  <Target> (66)
Estrogen/progestogen Receptor,Interleukins

>  <Form> (66)
free base

>  <CAS> (66)
50-28-2

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

$$$$
DCC-2036.cdx
csChFnd80/04092414132D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.3036    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    2.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    4.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    2.7704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1945    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    0.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    2.0728    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    4.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6789    4.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    2.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4707    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    4.7398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    3.6994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    2.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244    2.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9017    6.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421    7.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    8.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195    8.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791    7.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    6.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6914    9.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003   10.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   10.2127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  2  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
 34 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 35  1  0  0  0  0
M  END
>  <Mol_ID> (67)
423

>  <Formula> (67)
C30H28FN7O3

>  <MolWeight> (67)
553.5868232

>  <Cat> (67)
S2634

>  <Name> (67)
Rebastinib (DCC-2036)

>  <Synonyms> (67)
N/A

>  <Target> (67)
Bcr-Abl

>  <Form> (67)
free base

>  <CAS> (67)
1020172-07-9

>  <URL> (67)
http://selleckchem.com/products/dcc-2036.html

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/04092414132D

 30 33  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  2  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  2  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  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  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  2  0  0  0  0  0  0  0  0  0
    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    6.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    7.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    8.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3876    6.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
  7 27  1  6  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
 17 30  1  6  0  0  0
M  END
>  <Mol_ID> (68)
434

>  <Formula> (68)
C22H30O5

>  <MolWeight> (68)
374.4706

>  <Cat> (68)
S1733

>  <Name> (68)
Methylprednisolone (NSC-19987)

>  <Synonyms> (68)
NSC-19987,U 7532

>  <Target> (68)
ACE,Apoptosis related,Autophagy,Glucocorticoid Receptor,Immunology & Inflammation related,Interleukins

>  <Form> (68)
free base

>  <CAS> (68)
83-43-2

>  <URL> (68)
http://selleckchem.com/products/Methylprednisolone.html

$$$$
Methylthiouracil.cdx
csChFnd80/04092414132D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (69)
477

>  <Formula> (69)
C5H6N2OS

>  <MolWeight> (69)
142.17894

>  <Cat> (69)
S3138

>  <Name> (69)
Methylthiouracil

>  <Synonyms> (69)
NSC-193526, NSC-9378,MTU

>  <Target> (69)
ERK,Interleukins,NF-¦ÊB,TNF-alpha

>  <Form> (69)
free base

>  <CAS> (69)
56-04-2

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

$$$$
untitled.cdx
csChFnd80/04092414132D

 37 41  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.1851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.5802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    6.5802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   12.8252    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7872   12.8252    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0395    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4493    2.3900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0395    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4493    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4358    3.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0295    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7834    3.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1774    3.0717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0454    1.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3583    2.4592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3583    3.8580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0454    4.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6681    0.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6001    5.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2324    5.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5224    6.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 11 22  1  0  0  0  0
 23 11  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 22 27  1  0  0  0  0
 26 28  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  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 29  1  0  0  0  0
 30 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (70)
493

>  <Formula> (70)
C29H41F2N5O

>  <MolWeight> (70)
513.6655464

>  <Cat> (70)
S2003

>  <Name> (70)
Maraviroc (UK-427857)

>  <Synonyms> (70)
Celsentri,UK-427857

>  <Target> (70)
CCR,HIV

>  <Form> (70)
free base

>  <CAS> (70)
376348-65-1

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

$$$$
Tanshinone IIA.cdx
csChFnd80/04092414132D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    5.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    7.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (71)
505

>  <Formula> (71)
C19H18O3

>  <MolWeight> (71)
294.34442

>  <Cat> (71)
S2365

>  <Name> (71)
Tanshinone IIA

>  <Synonyms> (71)
Tanshinone B

>  <Target> (71)
Lipase

>  <Form> (71)
free base

>  <CAS> (71)
568-72-9

>  <URL> (71)
http://selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

$$$$
AMG 458.cdx
csChFnd80/04092414132D

 40 44  0  0  0  0  0  0  0  0999 V2000
    2.9519    3.3541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430    4.7235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6353    4.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2047    3.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1643    2.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5741    3.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9365    1.9475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5641    4.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    5.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (72)
537

>  <Formula> (72)
C30H29N5O5

>  <MolWeight> (72)
539.58176

>  <Cat> (72)
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>  <Name> (72)
AMG-458

>  <Synonyms> (72)
N/A

>  <Target> (72)
c-Met

>  <Form> (72)
free base

>  <CAS> (72)
913376-83-7

>  <URL> (72)
http://selleckchem.com/products/amg458.html

$$$$
Arry-380.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (73)
539

>  <Formula> (73)
C29H27N7O4S

>  <MolWeight> (73)
569.63418

>  <Cat> (73)
S2752

>  <Name> (73)
HER2-Inhibitor-1

>  <Synonyms> (73)
N/A

>  <Target> (73)
EGFR,HER2

>  <Form> (73)
free base

>  <CAS> (73)
937265-83-3

>  <URL> (73)
http://selleckchem.com/products/her2-inhibitor-1.html

$$$$
AZ628.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (74)
544

>  <Formula> (74)
C27H25N5O2

>  <MolWeight> (74)
451.5197

>  <Cat> (74)
S2746

>  <Name> (74)
AZ 628

>  <Synonyms> (74)
N/A

>  <Target> (74)
Apoptosis related,Raf

>  <Form> (74)
free base

>  <CAS> (74)
878739-06-1

>  <URL> (74)
http://selleckchem.com/products/az628.html

$$$$
GW788388(1).cdx
csChFnd80/04092414132D

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TGF-beta/Smad

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free base

>  <CAS> (75)
452342-67-5

>  <URL> (75)
http://selleckchem.com/products/gw788388.html

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231277-92-2

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

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IGF-1R

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free base

>  <CAS> (77)
65678-07-1

>  <URL> (77)
http://selleckchem.com/products/ag-1024-tyrphostin.html

$$$$
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N/A

>  <Target> (78)
Apoptosis related,c-Met

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free base

>  <CAS> (78)
905854-02-6

>  <URL> (78)
http://selleckchem.com/products/arq-197.html

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N/A

>  <Target> (79)
c-Met

>  <Form> (79)
free base

>  <CAS> (79)
1185763-69-2

>  <URL> (79)
http://selleckchem.com/products/nvp-bvu972.html

$$$$

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>  <Mol_ID> (80)
569

>  <Formula> (80)
C27H33FN6O7

>  <MolWeight> (80)
572.5853232

>  <Cat> (80)
S2769

>  <Name> (80)
Dovitinib (TKI-258) Dilactic Acid

>  <Synonyms> (80)
N/A

>  <Target> (80)
c-Kit,FGFR,FLT3,PDGFR,VEGFR

>  <Form> (80)
Dilactic Acid

>  <CAS> (80)
852433-84-2

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

$$$$
AST-1306.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (81)
570

>  <Formula> (81)
C31H26ClFN4O5S

>  <MolWeight> (81)
621.0783432

>  <Cat> (81)
S2185

>  <Name> (81)
Allitinib tosylate

>  <Synonyms> (81)
AST-1306 TsOH, AST-6

>  <Target> (81)
EGFR

>  <Form> (81)
Mesylate

>  <CAS> (81)
1050500-29-2

>  <URL> (81)
https://www.selleckchem.com/products/allitinib-tosylate.html

$$$$
SB505124.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (82)
573

>  <Formula> (82)
C20H21N3O2

>  <MolWeight> (82)
335.39964

>  <Cat> (82)
S2186

>  <Name> (82)
SB505124

>  <Synonyms> (82)
N/A

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

>  <Form> (82)
free base

>  <CAS> (82)
694433-59-5

>  <URL> (82)
http://selleckchem.com/products/sb-505124.html

$$$$
MK-2461.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (83)
574

>  <Formula> (83)
C24H25N5O5S

>  <MolWeight> (83)
495.5508

>  <Cat> (83)
S2774

>  <Name> (83)
MK-2461

>  <Synonyms> (83)
N/A

>  <Target> (83)
c-Met,FGFR,PDGFR,RON

>  <Form> (83)
free base

>  <CAS> (83)
917879-39-1

>  <URL> (83)
http://selleckchem.com/products/mk-2461.html

$$$$
TAK-285.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (84)
582

>  <Formula> (84)
C26H25ClF3N5O3

>  <MolWeight> (84)
547.9566096

>  <Cat> (84)
S2784

>  <Name> (84)
TAK-285

>  <Synonyms> (84)
N/A

>  <Target> (84)
EGFR,HER2

>  <Form> (84)
free base

>  <CAS> (84)
871026-44-7

>  <URL> (84)
http://selleckchem.com/products/tak-285.html

$$$$
Bufexamac.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (85)
592

>  <Formula> (85)
C12H17NO3

>  <MolWeight> (85)
223.26828

>  <Cat> (85)
S3023

>  <Name> (85)
Bufexamac

>  <Synonyms> (85)
Bufexamic acid

>  <Target> (85)
COX,IFN

>  <Form> (85)
free base

>  <CAS> (85)
2438-72-4

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

$$$$
Bindarit.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (86)
602

>  <Formula> (86)
C19H20N2O3

>  <MolWeight> (86)
324.3737

>  <Cat> (86)
S3032

>  <Name> (86)
Bindarit (AF?2838)

>  <Synonyms> (86)
AF 2838

>  <Target> (86)
CCR,Immunology & Inflammation related

>  <Form> (86)
free base

>  <CAS> (86)
130641-38-2

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

$$$$
AZD4547.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (87)
606

>  <Formula> (87)
C26H33N5O3

>  <MolWeight> (87)
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>  <Cat> (87)
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>  <Name> (87)
AZD4547

>  <Synonyms> (87)
ABSK 091

>  <Target> (87)
FGFR

>  <Form> (87)
free base

>  <CAS> (87)
1035270-39-3

>  <URL> (87)
http://selleckchem.com/products/azd4547.html

$$$$
AG-879.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (88)
610

>  <Formula> (88)
C18H24N2OS

>  <MolWeight> (88)
316.46096

>  <Cat> (88)
S2816

>  <Name> (88)
Tyrphostin AG 879

>  <Synonyms> (88)
AG 879

>  <Target> (88)
HER2

>  <Form> (88)
free base

>  <CAS> (88)
148741-30-4

>  <URL> (88)
http://selleckchem.com/products/tyrphostin-ag-879-ag-879.html

$$$$
NVP-TAE226.cdx
csChFnd80/04092414132D

 33 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (89)
618

>  <Formula> (89)
C23H25ClN6O3

>  <MolWeight> (89)
468.936

>  <Cat> (89)
S2820

>  <Name> (89)
TAE226 (NVP-TAE226)

>  <Synonyms> (89)
N/A

>  <Target> (89)
Apoptosis related,FAK,Pyk2

>  <Form> (89)
free base

>  <CAS> (89)
761437-28-9

>  <URL> (89)
http://selleckchem.com/products/nvp-tae226.html

$$$$
E7080.cdx
csChFnd80/04092414132D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (90)
635

>  <Formula> (90)
C21H19ClN4O4

>  <MolWeight> (90)
426.85296

>  <Cat> (90)
S1164

>  <Name> (90)
Lenvatinib (E7080)

>  <Synonyms> (90)
N/A

>  <Target> (90)
c-Kit,c-RET,FGFR,PDGFR,VEGFR

>  <Form> (90)
free base

>  <CAS> (90)
417716-92-8

>  <URL> (90)
http://selleckchem.com/products/E7080.html

$$$$
Dexamethasone acetate.cdx
csChFnd80/04092414132D

 33 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (91)
638

>  <Formula> (91)
C24H31FO6

>  <MolWeight> (91)
434.4977432

>  <Cat> (91)
S3124

>  <Name> (91)
Dexamethasone Acetate

>  <Synonyms> (91)
NSC 39471,Dexamethasone 21-acetate

>  <Target> (91)
Complement System,COVID-19,IL Receptor

>  <Form> (91)
free base

>  <CAS> (91)
1177-87-3

>  <URL> (91)
http://selleckchem.com/products/dexamethasone-acetate.html

$$$$
Nadifloxacin.cdx
csChFnd80/04092414132D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (92)
644

>  <Formula> (92)
C19H21FN2O4

>  <MolWeight> (92)
360.3794432

>  <Cat> (92)
S3105

>  <Name> (92)
Nadifloxacin

>  <Synonyms> (92)
OPC-7251

>  <Target> (92)
Antibiotics

>  <Form> (92)
free base

>  <CAS> (92)
124858-35-1

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

$$$$
KW2449.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (93)
648

>  <Formula> (93)
C20H20N4O

>  <MolWeight> (93)
332.399

>  <Cat> (93)
S2158

>  <Name> (93)
KW-2449

>  <Synonyms> (93)
N/A

>  <Target> (93)
Aurora Kinase,Bcr-Abl,FLT3

>  <Form> (93)
free base

>  <CAS> (93)
1000669-72-6

>  <URL> (93)
http://selleckchem.com/products/KW-2449.html

$$$$
raf265.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (94)
650

>  <Formula> (94)
C24H16F6N6O

>  <MolWeight> (94)
518.4138592

>  <Cat> (94)
S2161

>  <Name> (94)
RAF265 (CHIR-265)

>  <Synonyms> (94)
N/A

>  <Target> (94)
Apoptosis related,Raf,VEGFR

>  <Form> (94)
free base

>  <CAS> (94)
927880-90-8

>  <URL> (94)
http://selleckchem.com/products/RAF265(CHIR-265).html

$$$$
Daphnetin.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (95)
652

>  <Formula> (95)
C9H6O4

>  <MolWeight> (95)
178.14154

>  <Cat> (95)
S2554

>  <Name> (95)
Daphnetin

>  <Synonyms> (95)
N/A

>  <Target> (95)
EGFR,PKA,PKC

>  <Form> (95)
free base

>  <CAS> (95)
486-35-1

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

$$$$
AZD8931.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (96)
665

>  <Formula> (96)
C23H25ClFN5O3

>  <MolWeight> (96)
473.9277032

>  <Cat> (96)
S2192

>  <Name> (96)
Sapitinib (AZD8931)

>  <Synonyms> (96)
N/A

>  <Target> (96)
EGFR,HER2

>  <Form> (96)
free base

>  <CAS> (96)
848942-61-0

>  <URL> (96)
http://selleckchem.com/products/AZD8931.html

$$$$
R406.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (97)
667

>  <Formula> (97)
C28H29FN6O8S

>  <MolWeight> (97)
628.6286632

>  <Cat> (97)
S2194

>  <Name> (97)
R406

>  <Synonyms> (97)
N/A

>  <Target> (97)
Apoptosis related,FLT3,Syk

>  <Form> (97)
Besylate

>  <CAS> (97)
841290-81-1

>  <URL> (97)
http://selleckchem.com/products/R406.html

$$$$
SGI 1776 free base.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (98)
669

>  <Formula> (98)
C20H22F3N5O

>  <MolWeight> (98)
405.4167896

>  <Cat> (98)
S2198

>  <Name> (98)
SGI-1776 free base

>  <Synonyms> (98)
N/A

>  <Target> (98)
Apoptosis related,Autophagy,FLT3,Haspin Kinase,Pim

>  <Form> (98)
free base

>  <CAS> (98)
1025065-69-3

>  <URL> (98)
http://selleckchem.com/products/SGI-1776.html

$$$$
BMS817378.cdx
csChFnd80/04092414132D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (99)
670

>  <Formula> (99)
C23H15ClF2N4O3

>  <MolWeight> (99)
468.8400064

>  <Cat> (99)
S2201

>  <Name> (99)
BMS-794833

>  <Synonyms> (99)
N/A

>  <Target> (99)
c-Met,RON,VEGFR

>  <Form> (99)
free base

>  <CAS> (99)
1174046-72-0

>  <URL> (99)
http://selleckchem.com/products/BMS-794833.html

$$$$
OSI 420.cdx
csChFnd80/04092414132D

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    1.2124    8.9177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.5226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9140    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 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
 17 13  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  3  0  0  0  0
 22 28  1  0  0  0  0
M  END
>  <Mol_ID> (100)
672

>  <Formula> (100)
C21H22ClN3O4

>  <MolWeight> (100)
415.87008

>  <Cat> (100)
S2205

>  <Name> (100)
OSI-420

>  <Synonyms> (100)
DesMethyl Erlotinib (CP-473420) HCl

>  <Target> (100)
EGFR

>  <Form> (100)
Hydrochloride

>  <CAS> (100)
183320-51-6

>  <URL> (100)
http://selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/04092414132D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    7.6854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6827    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 14 23  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (101)
682

>  <Formula> (101)
C22H18O11

>  <MolWeight> (101)
458.37172

>  <Cat> (101)
S2250

>  <Name> (101)
(-)-Epigallocatechin Gallate

>  <Synonyms> (101)
EGCG

>  <Target> (101)
DNA Methyltransferase,EGFR,Fatty Acid Synthase,HER2,Telomerase

>  <Form> (101)
free base

>  <CAS> (101)
989-51-5

>  <URL> (101)
http://selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Formononetin.cdx
csChFnd80/04092414132D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (102)
715

>  <Formula> (102)
C16H12O4

>  <MolWeight> (102)
268.26408

>  <Cat> (102)
S2299

>  <Name> (102)
Formononetin

>  <Synonyms> (102)
Formononetol, Biochanin B

>  <Target> (102)
Others

>  <Form> (102)
free base

>  <CAS> (102)
485-72-3

>  <URL> (102)
http://selleckchem.com/products/Formononetin(Formononetol).html

$$$$
Fumalic acid.cdx
csChFnd80/04092414132D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (103)
716

>  <Formula> (103)
C10H10O4

>  <MolWeight> (103)
194.184

>  <Cat> (103)
S2300

>  <Name> (103)
Ferulic Acid

>  <Synonyms> (103)
Fumalic Acid

>  <Target> (103)
FGFR

>  <Form> (103)
free base

>  <CAS> (103)
1135-24-6

>  <URL> (103)
http://selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

$$$$
Gramine.cdx
csChFnd80/04092414132D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    5.2090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    1.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521    1.3269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4857    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9832    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (104)
718

>  <Formula> (104)
C11H14N2

>  <MolWeight> (104)
174.24226

>  <Cat> (104)
S2304

>  <Name> (104)
Gramine

>  <Synonyms> (104)
N/A

>  <Target> (104)
ADC Cytotoxin,AdipoR,Adrenergic Receptor

>  <Form> (104)
free base

>  <CAS> (104)
87-52-5

>  <URL> (104)
http://selleckchem.com/products/Gramine.html

$$$$
Hesperetin.cdx
csChFnd80/04092414132D

 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
    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  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  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> (105)
722

>  <Formula> (105)
C16H14O6

>  <MolWeight> (105)
302.27876

>  <Cat> (105)
S2308

>  <Name> (105)
Hesperetin

>  <Synonyms> (105)
N/A

>  <Target> (105)
Histamine Receptor,TGF-beta/Smad

>  <Form> (105)
free base

>  <CAS> (105)
520-33-2

>  <URL> (105)
http://selleckchem.com/products/Hesperetin.html

$$$$
Magnolol.cdx
csChFnd80/04092414132D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (106)
733

>  <Formula> (106)
C18H18O2

>  <MolWeight> (106)
266.33432

>  <Cat> (106)
S2321

>  <Name> (106)
Magnolol

>  <Synonyms> (106)
NSC 293099

>  <Target> (106)
Fungal,NF-¦ÊB

>  <Form> (106)
free base

>  <CAS> (106)
528-43-8

>  <URL> (106)
http://selleckchem.com/products/Magnolol(2,2-Bichavicol).html

$$$$
Chrysophanic acid.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (107)
762

>  <Formula> (107)
C15H10O4

>  <MolWeight> (107)
254.2375

>  <Cat> (107)
S2406

>  <Name> (107)
Chrysophanic Acid

>  <Synonyms> (107)
Chrysophanol

>  <Target> (107)
EGFR,mTOR

>  <Form> (107)
free base

>  <CAS> (107)
481-74-3

>  <URL> (107)
http://selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
Imatinib.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (108)
780

>  <Formula> (108)
C29H31N7O

>  <MolWeight> (108)
493.60274

>  <Cat> (108)
S2475

>  <Name> (108)
Imatinib (STI571)

>  <Synonyms> (108)
STI571,Gleevec, Glivec, CGP057148B

>  <Target> (108)
Autophagy,Bcr-Abl,c-Kit,PDGFR

>  <Form> (108)
free base

>  <CAS> (108)
152459-95-5

>  <URL> (108)
http://selleckchem.com/products/Imatinib(STI571).html

$$$$
TG1012009.cdx
csChFnd80/04092414132D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (109)
787

>  <Formula> (109)
C26H35N7O2S

>  <MolWeight> (109)
509.6668

>  <Cat> (109)
S2692

>  <Name> (109)
TG101209

>  <Synonyms> (109)
N/A

>  <Target> (109)
c-RET,FLT3,JAK

>  <Form> (109)
free base

>  <CAS> (109)
936091-14-4

>  <URL> (109)
http://selleckchem.com/products/tg101209.html

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (110)
836

>  <Formula> (110)
C20H16ClN5O3

>  <MolWeight> (110)
409.82574

>  <Cat> (110)
S2231

>  <Name> (110)
Telatinib

>  <Synonyms> (110)
BAY 57-9352

>  <Target> (110)
c-Kit,PDGFR,VEGFR

>  <Form> (110)
free base

>  <CAS> (110)
332012-40-5

>  <URL> (110)
http://selleckchem.com/products/Telatinib-BAY-57-9352.html

$$$$
PP121.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (111)
846

>  <Formula> (111)
C17H17N7

>  <MolWeight> (111)
319.36378

>  <Cat> (111)
S2622

>  <Name> (111)
PP121

>  <Synonyms> (111)
N/A

>  <Target> (111)
Bcr-Abl,DNA-PK,mTOR,PDGFR,Src,VEGFR

>  <Form> (111)
free base

>  <CAS> (111)
1092788-83-4

>  <URL> (111)
http://selleckchem.com/products/PP121.html

$$$$
CX-4945.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (112)
856

>  <Formula> (112)
C19H12ClN3O2

>  <MolWeight> (112)
349.77048

>  <Cat> (112)
S2248

>  <Name> (112)
Silmitasertib (CX-4945)

>  <Synonyms> (112)
N/A

>  <Target> (112)
Apoptosis related,Autophagy,Casein Kinase

>  <Form> (112)
free base

>  <CAS> (112)
1009820-21-6

>  <URL> (112)
http://selleckchem.com/products/cx-4945-silmitasertib.html

$$$$
LY2157299.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (113)
858

>  <Formula> (113)
C22H19N5O

>  <MolWeight> (113)
369.41916

>  <Cat> (113)
S2230

>  <Name> (113)
Galunisertib (LY2157299)

>  <Synonyms> (113)
N/A

>  <Target> (113)
TGF-beta/Smad

>  <Form> (113)
free base

>  <CAS> (113)
700874-72-2

>  <URL> (113)
http://selleckchem.com/products/ly2157299.html

$$$$
R7935788.cdx
csChFnd80/04092414132D

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N/A

>  <Target> (114)
Syk

>  <Form> (114)
free base

>  <CAS> (114)
901119-35-5

>  <URL> (114)
http://selleckchem.com/products/R7935788-Fostamatinib.html

$$$$
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>  <Mol_ID> (115)
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CHIR-124

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N/A

>  <Target> (115)
Chk

>  <Form> (115)
free base

>  <CAS> (115)
405168-58-3

>  <URL> (115)
http://selleckchem.com/products/chir-124.html

$$$$
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>  <Mol_ID> (116)
886

>  <Formula> (116)
C23H24FN9O

>  <MolWeight> (116)
461.4947632

>  <Cat> (116)
S1124

>  <Name> (116)
BMS-754807

>  <Synonyms> (116)
N/A

>  <Target> (116)
c-Met,IGF-1R,RON,Trk receptor

>  <Form> (116)
free base

>  <CAS> (116)
1001350-96-4

>  <URL> (116)
http://selleckchem.com/products/BMS-754807.html

$$$$
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>  <Mol_ID> (117)
888

>  <Formula> (117)
C23H33NO7S2

>  <MolWeight> (117)
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>  <Cat> (117)
S2015

>  <Name> (117)
Suplatast Tosylate

>  <Synonyms> (117)
IPD-1151T, Suplatast Tosilate

>  <Target> (117)
Interleukins

>  <Form> (117)
Tosylate

>  <CAS> (117)
94055-76-2

>  <URL> (117)
http://selleckchem.com/products/suplatast-tosilate.html

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (121)
918

>  <Formula> (121)
C27H36N6O3S

>  <MolWeight> (121)
524.67814

>  <Cat> (121)
S2736

>  <Name> (121)
Fedratinib (TG101348)

>  <Synonyms> (121)
SAR302503

>  <Target> (121)
Apoptosis related,c-RET,FLT3,JAK

>  <Form> (121)
free base

>  <CAS> (121)
936091-26-8

>  <URL> (121)
http://selleckchem.com/products/Fedratinib-SAR302503-TG101348.html

$$$$
PF299804.cdx
csChFnd80/04092414132D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (122)
931

>  <Formula> (122)
C24H25ClFN5O2

>  <MolWeight> (122)
469.9390032

>  <Cat> (122)
S2727

>  <Name> (122)
Dacomitinib (PF-00299804)

>  <Synonyms> (122)
PF299804,PF299

>  <Target> (122)
Apoptosis related,EGFR,HER2

>  <Form> (122)
free base

>  <CAS> (122)
1110813-31-4

>  <URL> (122)
http://selleckchem.com/products/pf299804.html

$$$$
CP868569.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (123)
937

>  <Formula> (123)
C26H29N5O2

>  <MolWeight> (123)
443.54076

>  <Cat> (123)
S2730

>  <Name> (123)
Crenolanib (CP-868596)

>  <Synonyms> (123)
ARO 002

>  <Target> (123)
FLT3,Mitophagy,PDGFR

>  <Form> (123)
free base

>  <CAS> (123)
670220-88-9

>  <URL> (123)
http://selleckchem.com/products/crenolanib-cp-868596.html

$$$$
AG-1478.cdx
csChFnd80/04092414132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (124)
944

>  <Formula> (124)
C16H14ClN3O2

>  <MolWeight> (124)
315.75426

>  <Cat> (124)
S2728

>  <Name> (124)
AG-1478 (Tyrphostin AG-1478)

>  <Synonyms> (124)
NSC 693255

>  <Target> (124)
EGFR,HCV,PI4K

>  <Form> (124)
free base

>  <CAS> (124)
153436-53-4,175178-82-2

>  <URL> (124)
http://selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
Butoconazole nitrate.cdx
csChFnd80/04092414132D

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (125)
964

>  <Formula> (125)
C19H18Cl3N3O3S

>  <MolWeight> (125)
474.78852

>  <Cat> (125)
S1833

>  <Name> (125)
Butoconazole nitrate

>  <Synonyms> (125)
RS-35887

>  <Target> (125)
Fungal,IFN,Interleukins,TNF-alpha

>  <Form> (125)
Nitrate

>  <CAS> (125)
64872-77-1

>  <URL> (125)
http://selleckchem.com/products/butoconazole-nitrate.html

$$$$
CP 673451.cdx
csChFnd80/04092414132D

 31 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (126)
1006

>  <Formula> (126)
C24H27N5O2

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417.50348

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S1536

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CP-673451

>  <Synonyms> (126)
N/A

>  <Target> (126)
PDGFR

>  <Form> (126)
free base

>  <CAS> (126)
343787-29-1

>  <URL> (126)
http://selleckchem.com/products/CP-673451.html

$$$$
Varlitinib(ARRY-334543).cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (127)
1047

>  <Formula> (127)
C22H19ClN6O2S

>  <MolWeight> (127)
466.94326

>  <Cat> (127)
S2755

>  <Name> (127)
Varlitinib

>  <Synonyms> (127)
ARRY334543

>  <Target> (127)
EGFR

>  <Form> (127)
free base

>  <CAS> (127)
845272-21-1

>  <URL> (127)
http://selleckchem.com/products/arry334543.html

$$$$
Semaxanib.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (128)
1061

>  <Formula> (128)
C15H14N2O

>  <MolWeight> (128)
238.28446

>  <Cat> (128)
S2845

>  <Name> (128)
Semaxanib (SU5416)

>  <Synonyms> (128)
semaxinib

>  <Target> (128)
VEGFR

>  <Form> (128)
free base

>  <CAS> (128)
204005-46-9

>  <URL> (128)
http://selleckchem.com/products/semaxanib-su5416.html

$$$$
SAR131675.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (129)
1062

>  <Formula> (129)
C18H22N4O4

>  <MolWeight> (129)
358.39168

>  <Cat> (129)
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SAR131675

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N/A

>  <Target> (129)
VEGFR

>  <Form> (129)
free base

>  <CAS> (129)
1433953-83-3

>  <URL> (129)
http://selleckchem.com/products/sar131675.html

$$$$
E7050.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (130)
1072

>  <Formula> (130)
C33H37F2N7O4

>  <MolWeight> (130)
633.6881864

>  <Cat> (130)
S2859

>  <Name> (130)
Golvatinib (E7050)

>  <Synonyms> (130)
N/A

>  <Target> (130)
c-Met,VEGFR

>  <Form> (130)
free base

>  <CAS> (130)
928037-13-2

>  <URL> (130)
http://selleckchem.com/products/golvatinib-e7050.html

$$$$
WHI-P154.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (131)
1074

>  <Formula> (131)
C16H14BrN3O3

>  <MolWeight> (131)
376.20466

>  <Cat> (131)
S2867

>  <Name> (131)
WHI-P154

>  <Synonyms> (131)
N/A

>  <Target> (131)
EGFR,JAK

>  <Form> (131)
free base

>  <CAS> (131)
211555-04-3

>  <URL> (131)
http://selleckchem.com/products/whi-p154.html

$$$$
Pirfenidone.cdx
csChFnd80/04092414132D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (132)
1109

>  <Formula> (132)
C12H11NO

>  <MolWeight> (132)
185.22184

>  <Cat> (132)
S2907

>  <Name> (132)
Pirfenidone (S-7701)

>  <Synonyms> (132)
AMR-69

>  <Target> (132)
CCR,TGF-beta/Smad

>  <Form> (132)
free base

>  <CAS> (132)
53179-13-8

>  <URL> (132)
http://selleckchem.com/products/pirfenidone.html

$$$$
GW 441756.cdx
csChFnd80/04092414132D

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 10 11  1  4  0  0  0
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M  END
>  <Mol_ID> (133)
1112

>  <Formula> (133)
C17H13N3O

>  <MolWeight> (133)
275.30462

>  <Cat> (133)
S2891

>  <Name> (133)
GW441756

>  <Synonyms> (133)
N/A

>  <Target> (133)
Apoptosis related,Caspase,Trk receptor

>  <Form> (133)
free base

>  <CAS> (133)
504433-23-2

>  <URL> (133)
http://selleckchem.com/products/gw-441756.html

$$$$
Tyrphostin AG 17.cdx
csChFnd80/04092414132D

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  4 18  1  0  0  0  0
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  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (134)
1116

>  <Formula> (134)
C18H22N2O

>  <MolWeight> (134)
282.38008

>  <Cat> (134)
S2895

>  <Name> (134)
Tyrphostin 9

>  <Synonyms> (134)
SF 6847, RG-50872

>  <Target> (134)
EGFR,PDGFR

>  <Form> (134)
free base

>  <CAS> (134)
10537-47-0

>  <URL> (134)
http://selleckchem.com/products/tyrphostin-9-sf-6847.html

$$$$
ZM323881 HCl.cdx
csChFnd80/04092414132D

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VEGFR

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193000-39-4

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VEGFR

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free base

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690206-97-4

>  <URL> (136)
http://selleckchem.com/products/zm-306416.html

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C22H25N7O2

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Chk

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free base

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952021-60-2

>  <URL> (137)
http://selleckchem.com/products/pf-477736.html

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CXCR

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free base

>  <CAS> (138)
55778-02-4

>  <URL> (138)
http://selleckchem.com/products/wz-811.html

$$$$
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EGFR

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free base

>  <CAS> (139)
610798-31-7

>  <URL> (139)
http://selleckchem.com/products/icotinib.html

$$$$
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>  <Mol_ID> (140)
1216

>  <Formula> (140)
C21H23N7O2S

>  <MolWeight> (140)
437.51802

>  <Cat> (140)
S3012

>  <Name> (140)
Pazopanib

>  <Synonyms> (140)
GW786034

>  <Target> (140)
Autophagy,Cathepsin B,c-Kit,CSF-1R,Cysteine Protease,FGFR,PDGFR,VEGFR

>  <Form> (140)
Free Base

>  <CAS> (140)
444731-52-6

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

$$$$
BAY 11-7082.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (141)
1225

>  <Formula> (141)
C10H9NO2S

>  <MolWeight> (141)
207.24896

>  <Cat> (141)
S2913

>  <Name> (141)
BAY 11-7082

>  <Synonyms> (141)
BAY 11-7821

>  <Target> (141)
Apoptosis related,DUB,I¦ÊB/IKK

>  <Form> (141)
free base

>  <CAS> (141)
19542-67-7

>  <URL> (141)
http://selleckchem.com/products/bay-11-7082-bay-11-7821.html

$$$$
GNF-2.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (142)
1227

>  <Formula> (142)
C18H13F3N4O2

>  <MolWeight> (142)
374.3166296

>  <Cat> (142)
S2899

>  <Name> (142)
GNF-2

>  <Synonyms> (142)
N/A

>  <Target> (142)
Bcr-Abl

>  <Form> (142)
free base

>  <CAS> (142)
778270-11-4

>  <URL> (142)
http://selleckchem.com/products/gnf-2.html

$$$$
OSI-906.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (143)
1237

>  <Formula> (143)
C26H23N5O

>  <MolWeight> (143)
421.49372

>  <Cat> (143)
S1091

>  <Name> (143)
Linsitinib (OSI-906)

>  <Synonyms> (143)
N/A

>  <Target> (143)
IGF-1R

>  <Form> (143)
free base

>  <CAS> (143)
867160-71-2

>  <URL> (143)
http://selleckchem.com/products/OSI-906.html

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (144)
1241

>  <Formula> (144)
C32H30FN3O10

>  <MolWeight> (144)
635.5931032

>  <Cat> (144)
S4001

>  <Name> (144)
Cabozantinib malate

>  <Synonyms> (144)
XL184

>  <Target> (144)
Apoptosis related,Axl,c-Kit,c-Met,c-RET,FLT3,VEGFR

>  <Form> (144)
Malate

>  <CAS> (144)
1140909-48-3

>  <URL> (144)
http://selleckchem.com/products/cabozantinib-malate.html

$$$$
sennoside B.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (145)
1258

>  <Formula> (145)
C42H38O20

>  <MolWeight> (145)
862.73912

>  <Cat> (145)
S4018

>  <Name> (145)
Sennoside B

>  <Synonyms> (145)
N/A

>  <Target> (145)
PDGFR

>  <Form> (145)
Free Base

>  <CAS> (145)
128-57-4

>  <URL> (145)
http://selleckchem.com/products/sennoside-b.html

$$$$
QNZ.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (146)
1263

>  <Formula> (146)
C22H20N4O

>  <MolWeight> (146)
356.4204

>  <Cat> (146)
S4902

>  <Name> (146)
QNZ (EVP4593)

>  <Synonyms> (146)
N/A

>  <Target> (146)
NF-¦ÊB,TNF-alpha

>  <Form> (146)
free base

>  <CAS> (146)
545380-34-5

>  <URL> (146)
http://selleckchem.com/products/qnz-evp4593.html

$$$$
Cepharanthine.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (147)
1364

>  <Formula> (147)
C37H38N2O6

>  <MolWeight> (147)
606.70742

>  <Cat> (147)
S4238

>  <Name> (147)
Cepharanthine

>  <Synonyms> (147)
NSC-623442

>  <Target> (147)
TNF-alpha

>  <Form> (147)
free base

>  <CAS> (147)
481-49-2

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

$$$$
Aloe-emodin.cdx
csChFnd80/04092414132D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (148)
1435

>  <Formula> (148)
C15H10O5

>  <MolWeight> (148)
270.2369

>  <Cat> (148)
S2259

>  <Name> (148)
Aloe-emodin

>  <Synonyms> (148)
NSC 38628, Rhabarberone

>  <Target> (148)
IFN

>  <Form> (148)
free base

>  <CAS> (148)
481-72-1

>  <URL> (148)
http://selleckchem.com/products/Aloe-emodin.html

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/04092414132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (149)
1456

>  <Formula> (149)
C15H12O7

>  <MolWeight> (149)
304.25158

>  <Cat> (149)
S2366

>  <Name> (149)
Taxifolin (Dihydroquercetin)

>  <Synonyms> (149)
N/A

>  <Target> (149)
VEGFR

>  <Form> (149)
free base

>  <CAS> (149)
480-18-2

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

$$$$
Diacerein.cdx
csChFnd80/04092414132D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (150)
1461

>  <Formula> (150)
C19H12O8

>  <MolWeight> (150)
368.29378

>  <Cat> (150)
S4267

>  <Name> (150)
Diacerein

>  <Synonyms> (150)
N/A

>  <Target> (150)
Interleukins

>  <Form> (150)
free base

>  <CAS> (150)
13739-02-1

>  <URL> (150)
http://selleckchem.com/products/diacerein.html

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (151)
1503

>  <Formula> (151)
C24H25ClFN5O3

>  <MolWeight> (151)
485.9384032

>  <Cat> (151)
S1011

>  <Name> (151)
Afatinib (BIBW2992)

>  <Synonyms> (151)
BIBW2992

>  <Target> (151)
Autophagy,EGFR,HER2

>  <Form> (151)
Free Base

>  <CAS> (151)
850140-72-6

>  <URL> (151)
http://selleckchem.com/products/BIBW2992.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (152)
1516

>  <Formula> (152)
C25H31N7O6

>  <MolWeight> (152)
525.55694

>  <Cat> (152)
S2018

>  <Name> (152)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (152)
N/A

>  <Target> (152)
Aurora Kinase,FLT3,VEGFR

>  <Form> (152)
free base

>  <CAS> (152)
1291074-87-7

>  <URL> (152)
http://selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
PF-2341066.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (153)
1523

>  <Formula> (153)
C21H22Cl2FN5O

>  <MolWeight> (153)
450.3366832

>  <Cat> (153)
S1068

>  <Name> (153)
Crizotinib (PF-02341066)

>  <Synonyms> (153)
PF-02341066

>  <Target> (153)
ALK,Autophagy,c-Met,ROS1

>  <Form> (153)
free base

>  <CAS> (153)
877399-52-5

>  <URL> (153)
http://selleckchem.com/products/PF-2341066.html

$$$$
BMS-599626 (AC480).cdx
csChFnd80/04092414132D

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>  <Mol_ID> (154)
1533

>  <Formula> (154)
C27H27FN8O3

>  <MolWeight> (154)
530.5534832

>  <Cat> (154)
S1056

>  <Name> (154)
AC480 (BMS-599626)

>  <Synonyms> (154)
N/A

>  <Target> (154)
EGFR,HER2

>  <Form> (154)
free base

>  <CAS> (154)
714971-09-2

>  <URL> (154)
http://selleckchem.com/products/BMS-599626.html

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/04092414132D

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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (155)
1655

>  <Formula> (155)
C14H23ClN2O

>  <MolWeight> (155)
270.79822

>  <Cat> (155)
S4667

>  <Name> (155)
Lidocaine hydrochloride

>  <Synonyms> (155)
Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (155)
EGFR

>  <Form> (155)
hydrochloride

>  <CAS> (155)
73-78-9

>  <URL> (155)
http://selleckchem.com/products/lidocaine-hydrochloride.html

$$$$
S4736 Trapidil.cdx
csChFnd80/04092414132D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
  2 15  1  0  0  0  0
  4  3  1  0  0  0  0
  1  2  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (156)
1691

>  <Formula> (156)
C10H15N5

>  <MolWeight> (156)
205.2596

>  <Cat> (156)
S4736

>  <Name> (156)
Trapidil

>  <Synonyms> (156)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (156)
PDGFR

>  <Form> (156)
free base

>  <CAS> (156)
15421-84-8

>  <URL> (156)
http://selleckchem.com/products/trapidil.html

$$$$
S4738 Arctiin.cdx
csChFnd80/04092414132D

 38 41  0  0  0  0  0  0  0  0999 V2000
   12.3073    2.2629    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9626    2.1715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0073    3.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8925    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0442    3.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6579    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4093    3.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9194    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6660    2.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3789    0.1613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1157    4.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1061    2.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7709    4.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1936    1.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5195    4.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5160    2.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8258    1.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2222    3.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2195    5.8924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9356    2.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4983    4.8642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6222    3.4634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6196    5.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569    2.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9713    6.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3227    2.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6567    3.3226    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1202    4.6398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2791    3.0942    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2153    5.7494    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3775    4.1851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7887    1.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8377    5.5210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7100    7.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340    6.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7916    8.1157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  6  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 19  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 28 25  1  1  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  6  0  0  0
 31 34  1  0  0  0  0
 31 35  1  1  0  0  0
 32 36  1  1  0  0  0
 32 34  1  0  0  0  0
 34 37  1  6  0  0  0
 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (157)
1695

>  <Formula> (157)
C27H34O11

>  <MolWeight> (157)
534.55226

>  <Cat> (157)
S4738

>  <Name> (157)
Arctiin

>  <Synonyms> (157)
Arctigenin-4-Glucoside, NSC 315527

>  <Target> (157)
AdipoR

>  <Form> (157)
free base

>  <CAS> (157)
20362-31-6

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

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/04092414132D

 26 27  0  0  0  0  0  0  0  0999 V2000
   10.9118    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1346    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.1905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3366    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    4.8905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5501    2.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.2905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5549    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  5  2  1  1  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  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
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (158)
1714

>  <Formula> (158)
C18H16O8

>  <MolWeight> (158)
360.31484

>  <Cat> (158)
S3612

>  <Name> (158)
Rosmarinic acid

>  <Synonyms> (158)
Rosemary acid

>  <Target> (158)
Complement System,I¦ÊB/IKK

>  <Form> (158)
free base

>  <CAS> (158)
20283-92-5

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

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/04092414132D

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.1810    2.1435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019    0.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012    2.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.0618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0256    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8488    4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    4.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (159)
1729

>  <Formula> (159)
C5H12N2S2

>  <MolWeight> (159)
164.29218

>  <Cat> (159)
S3633

>  <Name> (159)
Pyrrolidinedithiocarbamate ammonium

>  <Synonyms> (159)
APDC, PDTC, Pyrrolidine dithiocarbamic acid ammonium salt

>  <Target> (159)
NF-¦ÊB

>  <Form> (159)
ammonium salt

>  <CAS> (159)
5108-96-3

>  <URL> (159)
http://selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/04092414132D

 65 69  0  0  0  0  0  0  0  0999 V2000
   13.3576    6.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    4.8745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3576    5.5532    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7147    4.8745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8573    4.8745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4287    3.4637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8752    9.1247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9289    5.5710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0894    6.9818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8573    3.4637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8573    7.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    2.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    7.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3216    7.6783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9289    6.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    5.5888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4287    4.8745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1074    9.8032    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7147    3.4637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5720    7.6783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3216    9.0890    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0894    5.5532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7863    9.8032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5720    9.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7863    6.9818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2143    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6607    9.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0716    2.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2860    3.4637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1434    3.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2328   11.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003    5.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5720    4.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9289    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7325    7.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7863    5.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2860    4.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0007    9.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0007    7.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6787   11.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    1.3744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0720   12.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5361    6.9639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    5.5888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    6.9996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1074   11.2142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5361    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7147    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3576    4.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4465    9.1605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8398   11.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9110    1.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9647    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3756   11.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7863    8.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9289    4.1959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542    6.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860    2.1422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9466    5.8568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7147    2.1066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8607    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
 13  1  2  0  0  0  0
 20  1  1  0  0  0  0
  2  3  1  0  0  0  0
 31  2  1  0  0  0  0
  2 49  1  1  0  0  0
  8  2  1  0  0  0  0
 34  3  1  0  0  0  0
  3 51  1  6  0  0  0
  4  8  1  0  0  0  0
 19  4  1  0  0  0  0
 33  4  1  0  0  0  0
  4 50  1  1  0  0  0
  5 10  1  0  0  0  0
 16  5  1  0  0  0  0
  5 22  1  1  0  0  0
  6 12  1  0  0  0  0
 17  6  1  0  0  0  0
  6 27  1  6  0  0  0
  7 11  1  0  0  0  0
  7 28  1  6  0  0  0
 18  7  1  0  0  0  0
  8 15  1  0  0  0  0
  8 59  1  6  0  0  0
  9 22  1  0  0  0  0
 11  9  1  0  0  0  0
 14  9  1  0  0  0  0
  9 62  1  1  0  0  0
 10 29  1  0  0  0  0
 12 10  1  0  0  0  0
 10 61  1  6  0  0  0
 15 13  1  0  0  0  0
 21 14  1  0  0  0  0
 14 44  1  1  0  0  0
 36 15  2  0  0  0  0
 16 46  1  6  0  0  0
 16 17  1  0  0  0  0
 17 45  1  1  0  0  0
 18 21  1  0  0  0  0
 18 47  1  1  0  0  0
 23 19  1  0  0  0  0
 19 63  1  6  0  0  0
 19 35  1  0  0  0  0
 25 20  1  0  0  0  0
 26 20  1  0  0  0  0
 20 60  1  6  0  0  0
 21 48  1  6  0  0  0
 55 23  1  0  0  0  0
 56 23  1  0  0  0  0
 23 30  1  0  0  0  0
 24 25  1  0  0  0  0
 24 32  1  1  0  0  0
 24 57  1  6  0  0  0
 39 24  1  0  0  0  0
 37 26  1  0  0  0  0
 40 26  1  0  0  0  0
 26 58  1  1  0  0  0
 42 27  2  0  0  0  0
 52 27  1  0  0  0  0
 41 28  2  0  0  0  0
 53 28  1  0  0  0  0
 30 29  1  1  0  0  0
 30 38  1  0  0  0  0
 35 31  1  0  0  0  0
 43 32  2  0  0  0  0
 54 32  1  0  0  0  0
 38 33  1  0  0  0  0
 37 34  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (160)
1730

>  <Formula> (160)
C42H68N2O16

>  <MolWeight> (160)
856.99312

>  <Cat> (160)
S3622

>  <Name> (160)
Diammonium Glycyrrhizinate

>  <Synonyms> (160)
N/A

>  <Target> (160)
Immunology & Inflammation related

>  <Form> (160)
ammonium salt

>  <CAS> (160)
79165-06-3

>  <URL> (160)
http://selleckchem.com/products/diammonium-glycyrrhizinate.html

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/04092414132D

 30 27  0  0  0  0  0  0  0  0999 V2000
    2.4236    2.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    0.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    4.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    4.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    0.0743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    0.0749    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8548    4.9732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    4.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0638    4.2752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    4.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    6.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4922    4.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4998    7.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6974    4.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7264    6.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    7.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500    6.3570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    8.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3566    7.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5727    6.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7840    7.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7840    8.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9977    6.3502    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1752   11.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752   11.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   18.3855    6.3438    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  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
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (161)
1799

>  <Formula> (161)
C17H17N3Na2O8

>  <MolWeight> (161)
437.31172

>  <Cat> (161)
S3745

>  <Name> (161)
Balsalazide disodium

>  <Synonyms> (161)
N/A

>  <Target> (161)
Immunology & Inflammation related,Interleukins,STAT

>  <Form> (161)
disodium salt dihydrate

>  <CAS> (161)
150399-21-6

>  <URL> (161)
http://selleckchem.com/products/balsalazide-disodium.html

$$$$
S3741 Benznidazole.cdx
csChFnd80/04092414132D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.9726    1.7626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    2.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830    0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850    2.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8043    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621    3.6202    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.5043    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3804    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    4.6102    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6010    2.4772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3804    0.3820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8093    1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0238    2.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0238    3.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2352    1.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2357    4.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4482    2.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4479    3.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (162)
1822

>  <Formula> (162)
C12H12N4O3

>  <MolWeight> (162)
260.24868

>  <Cat> (162)
S3741

>  <Name> (162)
Benznidazole

>  <Synonyms> (162)
Radanil

>  <Target> (162)
Parasite

>  <Form> (162)
free base

>  <CAS> (162)
22994-85-0

>  <URL> (162)
http://selleckchem.com/products/benznidazole.html

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/04092414132D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.5458    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    2.1429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1209    2.8429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9085    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    4.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173    4.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9749    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2155    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9804    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7583    0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3742    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4280    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  4  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (163)
1840

>  <Formula> (163)
C18H22O4

>  <MolWeight> (163)
302.36488

>  <Cat> (163)
S3984

>  <Name> (163)
Nordihydroguaiaretic acid (NDGA)

>  <Synonyms> (163)
N/A

>  <Target> (163)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Ferroptosis,HER2,IGF-1R,Lipoxygenase

>  <Form> (163)
free base

>  <CAS> (163)
500-38-9

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

$$$$
S3822 Schisandrin A.cdx
csChFnd80/04092414132D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.9215    5.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9186    6.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5700    4.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9134    4.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655    6.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9063    7.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2105    3.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5779    5.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5540    2.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3134    4.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2002    8.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139    6.4413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5412    8.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3063    7.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024    2.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590    2.9636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2263    5.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3013    5.0541    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1881    9.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8473    8.5174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2984    6.4541    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8430    0.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4993    1.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8230   10.5016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4820    9.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8351    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8107   11.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5907    6.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5959    4.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  3  8  1  0  0  0  0
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 22 29  1  6  0  0  0
 18 30  1  6  0  0  0
M  END
>  <Mol_ID> (164)
1850

>  <Formula> (164)
C24H32O6

>  <MolWeight> (164)
416.50728

>  <Cat> (164)
S3822

>  <Name> (164)
Schisandrin A

>  <Synonyms> (164)
Deoxyschizandrin, Wuweizisu A

>  <Target> (164)
AdipoR

>  <Form> (164)
free base

>  <CAS> (164)
61281-38-7

>  <URL> (164)
http://selleckchem.com/products/schisandrin-a.html

$$$$
S3827 Royal jelly acid.cdx
csChFnd80/04092414132D

 13 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
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  8 10  1  0  0  0  0
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  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (165)
1855

>  <Formula> (165)
C10H18O3

>  <MolWeight> (165)
186.24812

>  <Cat> (165)
S3827

>  <Name> (165)
Royal jelly acid

>  <Synonyms> (165)
10-Hydroxy-trans-2-decenoic acid, 10H2DA

>  <Target> (165)
IFN

>  <Form> (165)
free base

>  <CAS> (165)
14113-05-4

>  <URL> (165)
http://selleckchem.com/products/royal-jelly-acid.html

$$$$
S3759 Norcantharidin.cdx
csChFnd80/04092414132D

 12 14  0  0  0  0  0  0  0  0999 V2000
    0.2182    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    1.4028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5609    1.7635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5640    3.1635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2213    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.8028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.5026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7168    2.4587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444    3.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4040    4.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197    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
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (166)
1876

>  <Formula> (166)
C8H8O4

>  <MolWeight> (166)
168.14672

>  <Cat> (166)
S3759

>  <Name> (166)
Norcantharidin

>  <Synonyms> (166)
Endothall anhydride

>  <Target> (166)
c-Met,EGFR

>  <Form> (166)
free base

>  <CAS> (166)
29745-04-8

>  <URL> (166)
http://selleckchem.com/products/norcantharidin.html

$$$$
S3931 Ginsenoside Rd.cdx
csChFnd80/04092414132D

 69 75  0  0  0  0  0  0  0  0999 V2000
   13.4161    8.4662    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5923    7.7521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1667    7.7521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4161    9.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8733    8.4662    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5923    6.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5923    8.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667    6.2925    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9275    8.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667    9.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5923   10.6190    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8733    9.8628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.2069    8.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8733    7.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4161    5.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9275    5.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7093    7.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5923   11.9842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2069   10.3669    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.0472    9.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    5.6051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5156    4.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3918    4.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6164   11.6691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2819    6.3058    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.6796   13.0764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3984   12.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0649    5.6032    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6349    5.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0598    9.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3095   13.7749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.0995   15.8706    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.6796   15.8706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2792   10.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.0995   17.2677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.9010    9.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    3.5013    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  3  8  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 20  1  0  0  0  0
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 17 22  1  0  0  0  0
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 26 21  1  1  0  0  0
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 28 33  1  0  0  0  0
 30 34  1  6  0  0  0
 30 35  1  0  0  0  0
 31 36  1  0  0  0  0
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 40 34  1  1  0  0  0
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 22 21  1  1  0  0  0
M  END
>  <Mol_ID> (167)
1946

>  <Formula> (167)
C48H82O18

>  <MolWeight> (167)
947.15388

>  <Cat> (167)
S3931

>  <Name> (167)
Ginsenoside Rd

>  <Synonyms> (167)
Panaxoside Rd, Sanchinoside Rd

>  <Target> (167)
Calcium Channel,COX,NF-¦ÊB,NOS,P450 (e.g. CYP17)

>  <Form> (167)
free base

>  <CAS> (167)
52705-93-8

>  <URL> (167)
http://selleckchem.com/products/ginsenoside-rd.html

$$$$
LY2109761.cdx
csChFnd80/04092414132D

 33 38  0  0  0  0  0  0  0  0999 V2000
    4.1777    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1777    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6026    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (168)
1955

>  <Formula> (168)
C26H27N5O2

>  <MolWeight> (168)
441.52488

>  <Cat> (168)
S2704

>  <Name> (168)
LY2109761

>  <Synonyms> (168)
N/A

>  <Target> (168)
Apoptosis related,Autophagy,TGF-beta/Smad

>  <Form> (168)
Free Base

>  <CAS> (168)
700874-71-1

>  <URL> (168)
http://selleckchem.com/products/ly2109761.html

$$$$
INCB28060.cdx
csChFnd80/04092414132D

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 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (169)
1956

>  <Formula> (169)
C23H17FN6O

>  <MolWeight> (169)
412.4190832

>  <Cat> (169)
S2788

>  <Name> (169)
Capmatinib (INCB28060)

>  <Synonyms> (169)
INC280, NVP-INC280

>  <Target> (169)
Apoptosis related,c-Met,Wnt/beta-catenin

>  <Form> (169)
Free Base

>  <CAS> (169)
1029712-80-8

>  <URL> (169)
http://selleckchem.com/products/incb28060.html

$$$$
Plerixafor 8HCl.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (170)
1957

>  <Formula> (170)
C28H62Cl8N8

>  <MolWeight> (170)
794.46948

>  <Cat> (170)
S3013

>  <Name> (170)
Plerixafor (AMD3100) 8HCl

>  <Synonyms> (170)
JM 3100 8HCl,Plerixafor Octahydrochloride,AMD3100 octahydrochloride,SID791 octahydrochloride

>  <Target> (170)
CXCR,HIV

>  <Form> (170)
Octahydrochloride

>  <CAS> (170)
155148-31-5

>  <URL> (170)
http://selleckchem.com/products/plerixafor-8hcl-db06809.html

$$$$
LY364947.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (171)
1959

>  <Formula> (171)
C17H12N4

>  <MolWeight> (171)
272.30398

>  <Cat> (171)
S2805

>  <Name> (171)
LY364947

>  <Synonyms> (171)
HTS 466284

>  <Target> (171)
Casein Kinase,Mixed Lineage Kinase,RIP kinase,TGF-beta/Smad

>  <Form> (171)
Free Base

>  <CAS> (171)
396129-53-6

>  <URL> (171)
http://selleckchem.com/products/ly364947.html

$$$$
PD168393.cdx
csChFnd80/04092414132D

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  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
  2 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  2  0  0  0  0
  7 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
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (172)
1973

>  <Formula> (172)
C17H13BrN4O

>  <MolWeight> (172)
369.21532

>  <Cat> (172)
S7039

>  <Name> (172)
PD168393

>  <Synonyms> (172)
N/A

>  <Target> (172)
EGFR

>  <Form> (172)
free base

>  <CAS> (172)
194423-15-9

>  <URL> (172)
http://selleckchem.com/products/pd168393.html

$$$$
P505-15.cdx
csChFnd80/04092414132D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.4471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    9.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.4471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828   10.5398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    3.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    4.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    5.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7751    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2077    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6077    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0403    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6471    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    6.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2471    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.5495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0262    1.7825    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 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
  2 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  1  0  0  0
M  END
>  <Mol_ID> (173)
1975

>  <Formula> (173)
C19H24ClN9O

>  <MolWeight> (173)
429.90656

>  <Cat> (173)
S8032

>  <Name> (173)
PRT062607 (P505-15) HCl

>  <Synonyms> (173)
BIIB057, PRT-2607

>  <Target> (173)
FAK,FLT3,Mixed Lineage Kinase,PAK,Pyk2,Src,Syk

>  <Form> (173)
Hydrochloride

>  <CAS> (173)
1370261-97-4

>  <URL> (173)
http://selleckchem.com/products/prt062607-p505-15-hcl.html

$$$$
LDK378.cdx
csChFnd80/04092414132D

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    1.2040    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2879    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.5879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8165    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7788    0.7404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    3.4903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    3.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    7.6854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    7.6854    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
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  2  0  0  0  0
 12 21  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
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 26 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 25 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
M  END
>  <Mol_ID> (174)
1986

>  <Formula> (174)
C28H36ClN5O3S

>  <MolWeight> (174)
558.13514

>  <Cat> (174)
S7083

>  <Name> (174)
Ceritinib (LDK378)

>  <Synonyms> (174)
N/A

>  <Target> (174)
ALK,FLT3,IGF-1R,Serine/threonin kinase

>  <Form> (174)
free base

>  <CAS> (174)
1032900-25-6

>  <URL> (174)
http://selleckchem.com/products/ldk378.html

$$$$
CNX-2006.cdx
csChFnd80/04092414132D

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    4.8497    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (175)
1998

>  <Formula> (175)
C26H27F4N7O2

>  <MolWeight> (175)
545.5318928

>  <Cat> (175)
S7206

>  <Name> (175)
CNX-2006

>  <Synonyms> (175)
N/A

>  <Target> (175)
EGFR

>  <Form> (175)
free base

>  <CAS> (175)
1375465-09-0

>  <URL> (175)
http://selleckchem.com/products/cnx-2006.html

$$$$
untitled.cdx
csChFnd80/04092414132D

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    8.4000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  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
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (176)
2003

>  <Formula> (176)
C24H25ClN6O

>  <MolWeight> (176)
448.9479

>  <Cat> (176)
S7106

>  <Name> (176)
AZD3463

>  <Synonyms> (176)
N/A

>  <Target> (176)
ALK,Apoptosis related,Autophagy,IGF-1R

>  <Form> (176)
free base

>  <CAS> (176)
1356962-20-3

>  <URL> (176)
http://selleckchem.com/products/azd3463.html

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/04092414132D

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   15.6332    8.6148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   14.3997    9.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9531    6.5103    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7197    8.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3997   10.6984    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6332   10.0040    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.0696    8.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (177)
2015

>  <Formula> (177)
C54H92O23

>  <MolWeight> (177)
1109.29448

>  <Cat> (177)
S3924

>  <Name> (177)
Ginsenoside Rb1

>  <Synonyms> (177)
Gypenoside ¢ó

>  <Target> (177)
ATPase,IFN,IRAK,NF-¦ÊB,NOS,TLR,TNF-alpha

>  <Form> (177)
free base

>  <CAS> (177)
41753-43-9

>  <URL> (177)
http://selleckchem.com/products/ginsenoside-rb1.html

$$$$
S4763 4-Hydroxychalcone.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (178)
2074

>  <Formula> (178)
C15H12O2

>  <MolWeight> (178)
224.25458

>  <Cat> (178)
S4763

>  <Name> (178)
4-Hydroxychalcone

>  <Synonyms> (178)
P-Cinnamoylphenol

>  <Target> (178)
NF-¦ÊB

>  <Form> (178)
free base

>  <CAS> (178)
20426-12-4

>  <URL> (178)
http://selleckchem.com/products/4-hydroxychalcone.html

$$$$
S3951 Tannic acid.cdx
csChFnd80/04092414132D

122132  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (179)
2082

>  <Formula> (179)
C76H52O46

>  <MolWeight> (179)
1701.19848

>  <Cat> (179)
S3951

>  <Name> (179)
Tannic acid

>  <Synonyms> (179)
Gallotannic acid

>  <Target> (179)
CXCR

>  <Form> (179)
free base

>  <CAS> (179)
1401-55-4

>  <URL> (179)
http://selleckchem.com/products/tannic-acid.html

$$$$
S4966 4-Methylesculetin.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (180)
2195

>  <Formula> (180)
C10H8O4

>  <MolWeight> (180)
192.16812

>  <Cat> (180)
S4966

>  <Name> (180)
4-Methylesculetin

>  <Synonyms> (180)
N/A

>  <Target> (180)
Immunology & Inflammation related,Interleukins,Peroxidases

>  <Form> (180)
free base

>  <CAS> (180)
529-84-0

>  <URL> (180)
http://selleckchem.com/products/methylesculetin.html

$$$$
S5020 Tilorone dihydrochloride.cdx
csChFnd80/04092414132D

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   20.7281    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9085    6.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3465   11.0407    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9465   11.0407    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (181)
2204

>  <Formula> (181)
C25H36Cl2N2O3

>  <MolWeight> (181)
483.47094

>  <Cat> (181)
S5020

>  <Name> (181)
Tilorone dihydrochloride

>  <Synonyms> (181)
N/A

>  <Target> (181)
Antiviral,IFN

>  <Form> (181)
dihydrochloride

>  <CAS> (181)
27591-69-1

>  <URL> (181)
http://selleckchem.com/products/tilorone-dihydrochloride.html

$$$$
S4937 4'-Hydroxychalcone.cdx
csChFnd80/04092414132D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
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  7 10  1  0  0  0  0
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 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (182)
2207

>  <Formula> (182)
C15H12O2

>  <MolWeight> (182)
224.25458

>  <Cat> (182)
S4937

>  <Name> (182)
4'-Hydroxychalcone

>  <Synonyms> (182)
P-Cinnamoylphenol

>  <Target> (182)
NF-¦ÊB

>  <Form> (182)
free base

>  <CAS> (182)
2657-25-2

>  <URL> (182)
http://selleckchem.com/products/hydroxychalcone.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/04092414132D

 68 74  0  0  0  0  0  0  0  0999 V2000
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    5.6762    9.6479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.8666   10.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0475   11.0288    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3238    9.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5239    8.9905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.7334    6.8383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.1905   16.9907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1525   18.1717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.6477   11.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6000   16.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2856   10.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 67  1  6  0  0  0
 48 68  1  6  0  0  0
M  END
>  <Mol_ID> (183)
2215

>  <Formula> (183)
C47H80O18

>  <MolWeight> (183)
933.1273

>  <Cat> (183)
S3785

>  <Name> (183)
Notoginsenoside R1

>  <Synonyms> (183)
Sanchinoside R1, NG-R1, NGR1

>  <Target> (183)
Akt,ERK,PAI-1,PI3K

>  <Form> (183)
free base

>  <CAS> (183)
80418-24-2

>  <URL> (183)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
S3969 Veratric acid.cdx
csChFnd80/04092414132D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4262    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (184)
2218

>  <Formula> (184)
C9H10O4

>  <MolWeight> (184)
182.1733

>  <Cat> (184)
S3969

>  <Name> (184)
Veratric acid

>  <Synonyms> (184)
3,4-Dimethoxybenzoic acid

>  <Target> (184)
COX,Immunology & Inflammation related,Interleukins,PGES

>  <Form> (184)
free base

>  <CAS> (184)
93-07-2

>  <URL> (184)
http://selleckchem.com/products/veratric-acid.html

$$$$
SNS-314 Mesylate.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (185)
2229

>  <Formula> (185)
C19H19ClN6O4S3

>  <MolWeight> (185)
527.03996

>  <Cat> (185)
S1154

>  <Name> (185)
SNS-314

>  <Synonyms> (185)
N/A

>  <Target> (185)
Aurora Kinase

>  <Form> (185)
Mesylate

>  <CAS> (185)
1057249-41-8

>  <URL> (185)
http://selleckchem.com/products/sns-314-mesylate.html

$$$$
untitled.cdx
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>  <Mol_ID> (186)
2234

>  <Formula> (186)
C24H25ClFN5O3

>  <MolWeight> (186)
485.9384032

>  <Cat> (186)
S1019

>  <Name> (186)
Canertinib (CI-1033)

>  <Synonyms> (186)
PD183805

>  <Target> (186)
EGFR,HER2

>  <Form> (186)
Free Base

>  <CAS> (186)
267243-28-7

>  <URL> (186)
http://selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
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>  <Mol_ID> (187)
2236

>  <Formula> (187)
C31H42N6O4

>  <MolWeight> (187)
562.70298

>  <Cat> (187)
S1043

>  <Name> (187)
Tandutinib (MLN518)

>  <Synonyms> (187)
CT 53518, NSC726292, MLN518

>  <Target> (187)
FLT3

>  <Form> (187)
Free Base

>  <CAS> (187)
387867-13-2

>  <URL> (187)
http://selleckchem.com/products/Tandutinib-(MLN518).html

$$$$
untitled.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (188)
2237

>  <Formula> (188)
C22H24BrFN4O2

>  <MolWeight> (188)
475.3539632

>  <Cat> (188)
S1046

>  <Name> (188)
Vandetanib (ZD6474)

>  <Synonyms> (188)
ZD6474

>  <Target> (188)
Apoptosis related,Autophagy,EGFR,ROS,VEGFR

>  <Form> (188)
free base

>  <CAS> (188)
443913-73-3

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

$$$$
PQ 401.cdx
csChFnd80/04092414132D

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    4.8517    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2154    2.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (189)
2267

>  <Formula> (189)
C18H16ClN3O2

>  <MolWeight> (189)
341.79154

>  <Cat> (189)
S8003

>  <Name> (189)
PQ 401

>  <Synonyms> (189)
N/A

>  <Target> (189)
IGF-1R

>  <Form> (189)
free base

>  <CAS> (189)
196868-63-0

>  <URL> (189)
http://selleckchem.com/products/pq-401.html

$$$$
AG 18.cdx
csChFnd80/04092414132D

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 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (190)
2269

>  <Formula> (190)
C10H6N2O2

>  <MolWeight> (190)
186.16684

>  <Cat> (190)
S8009

>  <Name> (190)
AG-18

>  <Synonyms> (190)
RG-50810, Tyrphostin A23, TX 825

>  <Target> (190)
EGFR

>  <Form> (190)
free base

>  <CAS> (190)
118409-57-7

>  <URL> (190)
http://selleckchem.com/products/ag-18-tyrphostin-23.html

$$$$

csChFnd80/04092414132D

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  9 11  1  0  0  0  0
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M  END
>  <Mol_ID> (191)
2270

>  <Formula> (191)
C24H22F3N5O5

>  <MolWeight> (191)
517.4571896

>  <Cat> (191)
S8015

>  <Name> (191)
Agerafenib (RXDX-105)

>  <Synonyms> (191)
CEP-32496

>  <Target> (191)
c-Kit,c-RET,CSF-1R,PDGFR,Raf

>  <Form> (191)
free base

>  <CAS> (191)
1188910-76-0

>  <URL> (191)
http://selleckchem.com/products/cep-32496.html

$$$$
AP26113.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (192)
2274

>  <Formula> (192)
C26H34ClN6O2P

>  <MolWeight> (192)
529.013921

>  <Cat> (192)
S7000

>  <Name> (192)
AP26113-analog (ALK-IN-1)

>  <Synonyms> (192)
N/A

>  <Target> (192)
ALK,EGFR

>  <Form> (192)
free base

>  <CAS> (192)
1197958-12-5

>  <URL> (192)
http://selleckchem.com/products/ap26113.html

$$$$
AG-1296.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (193)
2278

>  <Formula> (193)
C16H14N2O2

>  <MolWeight> (193)
266.29456

>  <Cat> (193)
S8024

>  <Name> (193)
Tyrphostin AG 1296

>  <Synonyms> (193)
AG 1296

>  <Target> (193)
Apoptosis related,c-Kit,FGFR,PDGFR

>  <Form> (193)
free base

>  <CAS> (193)
146535-11-7

>  <URL> (193)
http://selleckchem.com/products/tyrphostin-ag-1296-ag-1296.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (194)
2279

>  <Formula> (194)
C18H20N2O4S

>  <MolWeight> (194)
360.4274

>  <Cat> (194)
S8023

>  <Name> (194)
TCS 359

>  <Synonyms> (194)
N/A

>  <Target> (194)
FLT3

>  <Form> (194)
free base

>  <CAS> (194)
301305-73-7

>  <URL> (194)
http://selleckchem.com/products/tcs-359.html

$$$$
Plerixafor.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (195)
2280

>  <Formula> (195)
C28H54N8

>  <MolWeight> (195)
502.78196

>  <Cat> (195)
S8030

>  <Name> (195)
Plerixafor (AMD3100)

>  <Synonyms> (195)
JM 3100, SID791

>  <Target> (195)
CXCR,HIV

>  <Form> (195)
Free Base

>  <CAS> (195)
110078-46-1

>  <URL> (195)
http://selleckchem.com/products/plerixafor.html

$$$$
Necrostatin-1.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (196)
2286

>  <Formula> (196)
C13H13N3OS

>  <MolWeight> (196)
259.32682

>  <Cat> (196)
S8037

>  <Name> (196)
Necrostatin-1

>  <Synonyms> (196)
Nec-1

>  <Target> (196)
Apoptosis related,Autophagy,IDO/TDO,RIP kinase,TNF-alpha

>  <Form> (196)
free base

>  <CAS> (196)
4311-88-0

>  <URL> (196)
http://selleckchem.com/products/necrostatin-1.html

$$$$
GW2580.cdx
csChFnd80/04092414132D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (197)
2302

>  <Formula> (197)
C20H22N4O3

>  <MolWeight> (197)
366.41368

>  <Cat> (197)
S8042

>  <Name> (197)
GW2580

>  <Synonyms> (197)
SC-203877

>  <Target> (197)
CSF-1R

>  <Form> (197)
free base

>  <CAS> (197)
870483-87-7

>  <URL> (197)
http://selleckchem.com/products/gw2580.html

$$$$
Butein.cdx
csChFnd80/04092414132D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (198)
2304

>  <Formula> (198)
C15H12O5

>  <MolWeight> (198)
272.25278

>  <Cat> (198)
S8036

>  <Name> (198)
Butein

>  <Synonyms> (198)
N/A

>  <Target> (198)
EGFR

>  <Form> (198)
free base

>  <CAS> (198)
487-52-5

>  <URL> (198)
http://selleckchem.com/products/butein.html

$$$$
NVP-TAE684.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (199)
2316

>  <Formula> (199)
C30H40ClN7O3S

>  <MolWeight> (199)
614.2017

>  <Cat> (199)
S1108

>  <Name> (199)
TAE684 (NVP-TAE684)

>  <Synonyms> (199)
N/A

>  <Target> (199)
ALK,Apoptosis related

>  <Form> (199)
Free Base

>  <CAS> (199)
761439-42-3

>  <URL> (199)
http://selleckchem.com/products/NVP-TAE684.html

$$$$
SGX-523 .cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (200)
2318

>  <Formula> (200)
C18H13N7S

>  <MolWeight> (200)
359.40772

>  <Cat> (200)
S1112

>  <Name> (200)
SGX-523

>  <Synonyms> (200)
N/A

>  <Target> (200)
c-Met

>  <Form> (200)
free base

>  <CAS> (200)
1022150-57-7

>  <URL> (200)
http://selleckchem.com/products/SGX-523.html

$$$$
s1023.cdx
csChFnd80/04092414132D

 30 31  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 21 28  1  0  0  0  0
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M  END
>  <Mol_ID> (201)
2320

>  <Formula> (201)
C22H24ClN3O4

>  <MolWeight> (201)
429.89666

>  <Cat> (201)
S1023

>  <Name> (201)
Erlotinib (OSI-774) HCl

>  <Synonyms> (201)
CP358774, NSC 718781,OSI-774 HCl

>  <Target> (201)
Autophagy,EGFR

>  <Form> (201)
Hydrochloride

>  <CAS> (201)
183319-69-9

>  <URL> (201)
http://selleckchem.com/products/Erlotinib-Hydrochloride.html

$$$$
Neratinib.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (202)
2374

>  <Formula> (202)
C30H29ClN6O3

>  <MolWeight> (202)
557.04266

>  <Cat> (202)
S2150

>  <Name> (202)
Neratinib (HKI-272)

>  <Synonyms> (202)
N/A

>  <Target> (202)
EGFR,HER2

>  <Form> (202)
free base

>  <CAS> (202)
698387-09-6

>  <URL> (202)
http://selleckchem.com/products/Neratinib(HKI-272).html

$$$$
R 788.cdx
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M  END
>  <Mol_ID> (203)
2375

>  <Formula> (203)
C23H24FN6Na2O9P

>  <MolWeight> (203)
624.4231642

>  <Cat> (203)
S2206

>  <Name> (203)
Fostamatinib (R788) disodium

>  <Synonyms> (203)
Tamatinib Fosdium

>  <Target> (203)
Syk

>  <Form> (203)
Sodium Salt

>  <CAS> (203)
1025687-58-4

>  <URL> (203)
http://selleckchem.com/products/R788(Fostamatinib-disodium).html

$$$$
AZ5104.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (204)
2435

>  <Formula> (204)
C27H31N7O2

>  <MolWeight> (204)
485.58074

>  <Cat> (204)
S7298

>  <Name> (204)
AZ5104

>  <Synonyms> (204)
N/A

>  <Target> (204)
EGFR

>  <Form> (204)
free base

>  <CAS> (204)
1421373-98-9

>  <URL> (204)
http://selleckchem.com/products/az5104.html

$$$$
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>  <Formula> (205)
C31H23F2N5O3

>  <MolWeight> (205)
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>  <Cat> (205)
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>  <Name> (205)
NPS-1034

>  <Synonyms> (205)
N/A

>  <Target> (205)
Axl,c-Met

>  <Form> (205)
free base

>  <CAS> (205)
1221713-92-3

>  <URL> (205)
http://selleckchem.com/products/nps-1034.html

$$$$
Dexamethasone sodium phosphate.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (206)
2441

>  <Formula> (206)
C22H28FNa2O8P

>  <MolWeight> (206)
516.4046242

>  <Cat> (206)
S4028

>  <Name> (206)
Dexamethasone Sodium Phosphate

>  <Synonyms> (206)
Dexamethasone?21-phosphate disodium salt

>  <Target> (206)
Autophagy,Complement System,COVID-19,COX,IL Receptor

>  <Form> (206)
Disodium salt

>  <CAS> (206)
55203-24-2

>  <URL> (206)
http://selleckchem.com/products/dexamethasone-sodium-phosphate.html

$$$$
BLU9931.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (207)
2457

>  <Formula> (207)
C26H22Cl2N4O3

>  <MolWeight> (207)
509.38388

>  <Cat> (207)
S7819

>  <Name> (207)
BLU9931

>  <Synonyms> (207)
N/A

>  <Target> (207)
FGFR

>  <Form> (207)
Free Base

>  <CAS> (207)
1538604-68-0

>  <URL> (207)
http://selleckchem.com/products/blu9931.html

$$$$
TP-0903.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (208)
2459

>  <Formula> (208)
C24H30ClN7O2S

>  <MolWeight> (208)
516.0587

>  <Cat> (208)
S7846

>  <Name> (208)
Dubermatinib(TP-0903)

>  <Synonyms> (208)
N/A

>  <Target> (208)
Apoptosis related,Axl

>  <Form> (208)
Free Base

>  <CAS> (208)
1341200-45-0

>  <URL> (208)
http://selleckchem.com/products/tp-0903.html

$$$$
FLLL32.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (209)
2464

>  <Formula> (209)
C28H32O6

>  <MolWeight> (209)
464.55008

>  <Cat> (209)
S7259

>  <Name> (209)
FLLL32

>  <Synonyms> (209)
N/A

>  <Target> (209)
IFN,Interleukins,JAK

>  <Form> (209)
free base

>  <CAS> (209)
1226895-15-3

>  <URL> (209)
http://selleckchem.com/products/flll32.html

$$$$
Vidofludimus .cdx
csChFnd80/04092414132D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (210)
2475

>  <Formula> (210)
C20H18FNO4

>  <MolWeight> (210)
355.3596232

>  <Cat> (210)
S7262

>  <Name> (210)
Vidofludimus

>  <Synonyms> (210)
SC12267, 4SC-101

>  <Target> (210)
COVID-19,Dehydrogenase

>  <Form> (210)
free base

>  <CAS> (210)
717824-30-1

>  <URL> (210)
http://selleckchem.com/products/vidofludimus.html

$$$$
Tiplaxtinin(PAI-039).cdx
csChFnd80/04092414132D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (211)
2478

>  <Formula> (211)
C24H16F3NO4

>  <MolWeight> (211)
439.3833496

>  <Cat> (211)
S7922

>  <Name> (211)
Tiplaxtinin (PAI-039)

>  <Synonyms> (211)
N/A

>  <Target> (211)
PAI-1

>  <Form> (211)
free base

>  <CAS> (211)
393105-53-8

>  <URL> (211)
http://selleckchem.com/products/tiplaxtinin-pai-039.html

$$$$

csChFnd80/04092414132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (212)
2486

>  <Formula> (212)
C17H16N2O3

>  <MolWeight> (212)
296.32054

>  <Cat> (212)
S7667

>  <Name> (212)
SU5402

>  <Synonyms> (212)
N/A

>  <Target> (212)
FGFR,PDGFR,VEGFR

>  <Form> (212)
free base

>  <CAS> (212)
215543-92-3

>  <URL> (212)
http://selleckchem.com/products/su5402.html

$$$$
UNC2025.cdx
csChFnd80/04092414132D

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M  CFW  15 BOND_GSTEREO 5
M  CFW  38 BOND_GSTEREO 4
M  END
>  <Mol_ID> (213)
2488

>  <Formula> (213)
C28H41ClN6O

>  <MolWeight> (213)
513.11774

>  <Cat> (213)
S7576

>  <Name> (213)
UNC2025 HCl

>  <Synonyms> (213)
UNC2025 hydrochloride

>  <Target> (213)
Axl,FLT3,Mertk,Tyro3

>  <Form> (213)
hydrochloride salt

>  <CAS> (213)
2070015-17-5

>  <URL> (213)
http://selleckchem.com/products/unc-2025.html

$$$$
ONC201.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (214)
2490

>  <Formula> (214)
C24H26N4O

>  <MolWeight> (214)
386.48944

>  <Cat> (214)
S7963

>  <Name> (214)
TIC10 (ONC201)

>  <Synonyms> (214)
ONC201

>  <Target> (214)
Akt,Apoptosis related,ERK,TNF-alpha

>  <Form> (214)
free base

>  <CAS> (214)
1616632-77-9

>  <URL> (214)
http://selleckchem.com/products/tic-10.html

$$$$
S3871 Muscone.cdx
csChFnd80/04092414132D

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 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (215)
2524

>  <Formula> (215)
C16H30O

>  <MolWeight> (215)
238.4088

>  <Cat> (215)
S3871

>  <Name> (215)
Muscone

>  <Synonyms> (215)
3-Methylcyclopentadecanone, Methylexaltone

>  <Target> (215)
Immunology & Inflammation related,Interleukins,NF-¦ÊB,NLRP3,TNF-alpha

>  <Form> (215)
free base

>  <CAS> (215)
541-91-3

>  <URL> (215)
http://selleckchem.com/products/muscone.html

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (216)
2530

>  <Formula> (216)
C17H15N9

>  <MolWeight> (216)
345.3613

>  <Cat> (216)
S7674

>  <Name> (216)
Savolitinib (AZD6094)

>  <Synonyms> (216)
HMPL-504, Volitinib

>  <Target> (216)
c-Met

>  <Form> (216)
free base

>  <CAS> (216)
1313725-88-0

>  <URL> (216)
http://selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
SC144.cdx
csChFnd80/04092414132D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (217)
2557

>  <Formula> (217)
C16H11FN6O

>  <MolWeight> (217)
322.2965432

>  <Cat> (217)
S7124

>  <Name> (217)
SC144

>  <Synonyms> (217)
N/A

>  <Target> (217)
P-gp

>  <Form> (217)
free base

>  <CAS> (217)
895158-95-9

>  <URL> (217)
http://selleckchem.com/products/sc144.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/04092414132D

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>  <Mol_ID> (218)
2564

>  <Formula> (218)
C17H13N5

>  <MolWeight> (218)
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>  <Cat> (218)
S7223

>  <Name> (218)
RepSox (E-616452)

>  <Synonyms> (218)
SJN 2511,ALK5 Inhibitor II

>  <Target> (218)
TGF-beta/Smad

>  <Form> (218)
free base

>  <CAS> (218)
446859-33-2

>  <URL> (218)
http://selleckchem.com/products/repsox.html

$$$$
CO-1686(AVL-301).cdx
csChFnd80/04092414132D

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>  <Mol_ID> (219)
2584

>  <Formula> (219)
C27H28F3N7O3

>  <MolWeight> (219)
555.5515296

>  <Cat> (219)
S7284

>  <Name> (219)
Rociletinib (CO-1686)

>  <Synonyms> (219)
AVL-301

>  <Target> (219)
EGFR

>  <Form> (219)
free base

>  <CAS> (219)
1374640-70-6

>  <URL> (219)
http://selleckchem.com/products/co-1686.html

$$$$
pentoxifylline.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (220)
2626

>  <Formula> (220)
C13H18N4O3

>  <MolWeight> (220)
278.30702

>  <Cat> (220)
S4345

>  <Name> (220)
Pentoxifylline

>  <Synonyms> (220)
N/A

>  <Target> (220)
PDE

>  <Form> (220)
Free Base

>  <CAS> (220)
6493-05-6

>  <URL> (220)
http://www.selleckchem.com/products/pentoxifylline.html

$$$$
SSR128129E (SSR).cdx
csChFnd80/04092414132D

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2647

>  <Formula> (221)
C18H15N2NaO4

>  <MolWeight> (221)
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>  <Cat> (221)
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>  <Name> (221)
SSR128129E

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SSR

>  <Target> (221)
FGFR

>  <Form> (221)
free base

>  <CAS> (221)
848318-25-2

>  <URL> (221)
http://selleckchem.com/products/ssr128129e.html

$$$$
Pacritinib (SB1518).cdx
csChFnd80/04092414132D

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>  <Mol_ID> (222)
2658

>  <Formula> (222)
C28H32N4O3

>  <MolWeight> (222)
472.57868

>  <Cat> (222)
S8057

>  <Name> (222)
Pacritinib (SB1518)

>  <Synonyms> (222)
N/A

>  <Target> (222)
FLT3,JAK

>  <Form> (222)
free base

>  <CAS> (222)
937272-79-2

>  <URL> (222)
http://selleckchem.com/products/pacritinib-sb1518.html

$$$$
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csChFnd80/04092414132D

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>  <Mol_ID> (223)
2661

>  <Formula> (223)
C21H16ClF3N4O3

>  <MolWeight> (223)
464.8249496

>  <Cat> (223)
S7397

>  <Name> (223)
Sorafenib (BAY 43-9006)

>  <Synonyms> (223)
NSC-724772,BAY 43-9006

>  <Target> (223)
Apoptosis related,Autophagy,Ferroptosis,FLT3,PDGFR,Raf,VEGFR

>  <Form> (223)
Free Base

>  <CAS> (223)
284461-73-0

>  <URL> (223)
http://selleckchem.com/products/sorafenib.html

$$$$
ASP3026   structure.cdx
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>  <Mol_ID> (224)
2671

>  <Formula> (224)
C29H40N8O3S

>  <MolWeight> (224)
580.7447

>  <Cat> (224)
S8054

>  <Name> (224)
ASP3026

>  <Synonyms> (224)
N/A

>  <Target> (224)
ALK

>  <Form> (224)
free base

>  <CAS> (224)
1097917-15-1

>  <URL> (224)
http://selleckchem.com/products/asp3026.html

$$$$
UNC2250.cdx
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>  <Mol_ID> (225)
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>  <Formula> (225)
C24H36N6O2

>  <MolWeight> (225)
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>  <Cat> (225)
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>  <Name> (225)
UNC2250

>  <Synonyms> (225)
N/A

>  <Target> (225)
Mertk

>  <Form> (225)
Free Base

>  <CAS> (225)
1493694-70-4

>  <URL> (225)
http://selleckchem.com/products/unc2250.html

$$$$
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>  <Mol_ID> (226)
2683

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C20H20N2O4

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K02288

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N/A

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TGF-beta/Smad

>  <Form> (226)
free base

>  <CAS> (226)
1431985-92-0

>  <URL> (226)
http://selleckchem.com/products/k02288.html

$$$$
AdipoRon.cdx
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>  <Mol_ID> (227)
2684

>  <Formula> (227)
C27H28N2O3

>  <MolWeight> (227)
428.52282

>  <Cat> (227)
S7365

>  <Name> (227)
AdipoRon

>  <Synonyms> (227)
SC-396658

>  <Target> (227)
AdipoR

>  <Form> (227)
free base

>  <CAS> (227)
924416-43-3

>  <URL> (227)
http://selleckchem.com/products/AdipoRon.html

$$$$
LDN193189 HCl.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (228)
2704

>  <Formula> (228)
C25H23ClN6

>  <MolWeight> (228)
442.94332

>  <Cat> (228)
S7507

>  <Name> (228)
LDN-193189 2HCl

>  <Synonyms> (228)
DM-3189 2HCl

>  <Target> (228)
TGF-beta/Smad

>  <Form> (228)
Hydrochloride

>  <CAS> (228)
1435934-00-1

>  <URL> (228)
http://selleckchem.com/products/ldn-193189-2hcl.html

$$$$
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>  <Mol_ID> (229)
2706

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C13H12N4O2S2

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SKLB1002

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N/A

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VEGFR

>  <Form> (229)
free base

>  <CAS> (229)
1225451-84-2

>  <URL> (229)
http://selleckchem.com/products/sklb1002.html

$$$$
VGX-1027.cdx
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>  <Mol_ID> (230)
2712

>  <Formula> (230)
C11H11NO3

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VGX-1027

>  <Synonyms> (230)
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Immunology & Inflammation related

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free base

>  <CAS> (230)
6501-72-0

>  <URL> (230)
http://selleckchem.com/products/vgx-1027.html

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Y-320.cdx
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Immunology & Inflammation related

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free base

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288250-47-5

>  <URL> (231)
http://selleckchem.com/products/y-320.html

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ML347

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LDN-193719

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TGF-beta/Smad

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free base

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1062368-49-3

>  <URL> (232)
http://selleckchem.com/products/ml347.html

$$$$
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Entospletinib (GS-9973)

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N/A

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Syk

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free base

>  <CAS> (233)
1229208-44-9

>  <URL> (233)
http://selleckchem.com/products/gs-9973.html

$$$$
DMH1.cdx
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Autophagy,TGF-beta/Smad

>  <Form> (234)
free base

>  <CAS> (234)
1206711-16-1

>  <URL> (234)
http://selleckchem.com/products/dmh1.html

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BMP Inhibitor III

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TGF-beta/Smad

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free base

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1432597-26-6

>  <URL> (235)
http://selleckchem.com/products/ldn-212854.html

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EGFR

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free base

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1421373-65-0

>  <URL> (236)
http://selleckchem.com/products/azd9291.html

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1493764-08-1

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>  <Mol_ID> (238)
2763

>  <Formula> (238)
C29H28N6O2

>  <MolWeight> (238)
492.57162

>  <Cat> (238)
S7067

>  <Name> (238)
Tepotinib (EMD 1214063)

>  <Synonyms> (238)
MSC2156119

>  <Target> (238)
Autophagy,c-Met

>  <Form> (238)
free base

>  <CAS> (238)
1100598-32-0

>  <URL> (238)
http://selleckchem.com/products/emd-1214063.html

$$$$
TAPI-1.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (239)
2775

>  <Formula> (239)
C26H37N5O5

>  <MolWeight> (239)
499.60248

>  <Cat> (239)
S7434

>  <Name> (239)
TAPI-1

>  <Synonyms> (239)
N/A

>  <Target> (239)
Immunology & Inflammation related,MMP

>  <Form> (239)
free base

>  <CAS> (239)
171235-71-5

>  <URL> (239)
http://selleckchem.com/products/tapi-1.html

$$$$
Go6976.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (240)
2799

>  <Formula> (240)
C24H18N4O

>  <MolWeight> (240)
378.42592

>  <Cat> (240)
S7119

>  <Name> (240)
Go6976

>  <Synonyms> (240)
PD406976

>  <Target> (240)
FLT3,JAK,PKC

>  <Form> (240)
free base

>  <CAS> (240)
136194-77-9

>  <URL> (240)
http://selleckchem.com/products/go6976.html

$$$$
GNF5837.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (241)
2833

>  <Formula> (241)
C28H21F4N5O2

>  <MolWeight> (241)
535.4922528

>  <Cat> (241)
S7519

>  <Name> (241)
GNF-5837

>  <Synonyms> (241)
N/A

>  <Target> (241)
Trk receptor

>  <Form> (241)
free base

>  <CAS> (241)
1033769-28-6

>  <URL> (241)
http://selleckchem.com/products/gnf-5837.html

$$$$
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2837

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C21H19Cl2N5O2

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LY2874455

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N/A

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FGFR,VEGFR

>  <Form> (242)
free base

>  <CAS> (242)
1254473-64-7

>  <URL> (242)
http://selleckchem.com/products/ly2874455.html

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G-749.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (243)
2845

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C25H25BrN6O2

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G-749

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N/A

>  <Target> (243)
FLT3

>  <Form> (243)
free base

>  <CAS> (243)
1457983-28-6

>  <URL> (243)
http://selleckchem.com/products/g-749.html

$$$$
EW-7197.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (244)
2846

>  <Formula> (244)
C22H18FN7

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399.4236232

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S7530

>  <Name> (244)
Vactosertib (TEW-7197)

>  <Synonyms> (244)
EW-7197

>  <Target> (244)
TGF-beta/Smad

>  <Form> (244)
free base

>  <CAS> (244)
1352608-82-2

>  <URL> (244)
http://selleckchem.com/products/ew-7197.html

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Kartogenin.cdx
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2847

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Kartogenin

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KGN

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free base

>  <CAS> (245)
4727-31-5

>  <URL> (245)
http://selleckchem.com/products/kartogenin.html

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I¦ÊB/IKK

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free base

>  <CAS> (246)
196309-76-9

>  <URL> (246)
http://selleckchem.com/products/bay-11-7085.html

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 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (247)
2864

>  <Formula> (247)
C13H10BrN3O4

>  <MolWeight> (247)
352.1402

>  <Cat> (247)
S7651

>  <Name> (247)
SB225002

>  <Synonyms> (247)
N/A

>  <Target> (247)
CXCR

>  <Form> (247)
free base

>  <CAS> (247)
182498-32-4

>  <URL> (247)
http://selleckchem.com/products/sb225002.html

$$$$
PF-06463922.cdx
csChFnd80/04092414132D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.0363    2.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7402    2.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3438    3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 16  9  1  0  0  0  0
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 22  4  2  0  0  0  0
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 25  2  1  0  0  0  0
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 26  1  1  0  0  0  0
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 29 30  3  0  0  0  0
M  END
>  <Mol_ID> (248)
2867

>  <Formula> (248)
C21H19FN6O2

>  <MolWeight> (248)
406.4129632

>  <Cat> (248)
S7536

>  <Name> (248)
Lorlatinib?(PF-6463922)

>  <Synonyms> (248)
N/A

>  <Target> (248)
ALK,Apoptosis related,ROS1

>  <Form> (248)
free base

>  <CAS> (248)
1454846-35-5

>  <URL> (248)
http://selleckchem.com/products/pf-06463922.html

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/04092414132D

 32 36  0  0  0  0  0  0  0  0999 V2000
    2.1544    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7917    9.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.0041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  5  1  0  0  0  0
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M  END
>  <Mol_ID> (249)
2880

>  <Formula> (249)
C22H22O8

>  <MolWeight> (249)
414.40528

>  <Cat> (249)
S7668

>  <Name> (249)
Picropodophyllin (PPP)

>  <Synonyms> (249)
AXL1717

>  <Target> (249)
Apoptosis related,IGF-1R

>  <Form> (249)
free base

>  <CAS> (249)
477-47-4

>  <URL> (249)
http://selleckchem.com/products/picropodophyllin-ppp.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/04092414132D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (250)
2896

>  <Formula> (250)
C23H21Cl2FN4O3

>  <MolWeight> (250)
491.3422432

>  <Cat> (250)
S7358

>  <Name> (250)
Poziotinib (HM781-36B)

>  <Synonyms> (250)
NOV120101

>  <Target> (250)
Apoptosis related,EGFR,HER2

>  <Form> (250)
free base

>  <CAS> (250)
1092364-38-9

>  <URL> (250)
http://selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
SD208.cdx
csChFnd80/04092414132D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (251)
2911

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C17H10ClFN6

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>  <Name> (251)
SD-208

>  <Synonyms> (251)
N/A

>  <Target> (251)
TGF-beta/Smad

>  <Form> (251)
free base

>  <CAS> (251)
627536-09-8

>  <URL> (251)
http://selleckchem.com/products/sd-208.html

$$$$
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>  <Mol_ID> (252)
2917

>  <Formula> (252)
C30H26F2N4O5

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560.5480464

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S7638

>  <Name> (252)
LDC1267

>  <Synonyms> (252)
N/A

>  <Target> (252)
Axl,Mertk,Tyro3

>  <Form> (252)
free base

>  <CAS> (252)
1361030-48-9

>  <URL> (252)
http://selleckchem.com/products/ldc1267.html

$$$$

csChFnd80/04092414132D

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>  <Mol_ID> (253)
2920

>  <Formula> (253)
C24H29FN6O5

>  <MolWeight> (253)
500.5226632

>  <Cat> (253)
S7765

>  <Name> (253)
Dovitinib (TKI258) Lactate monohydrate

>  <Synonyms> (253)
CHIR258

>  <Target> (253)
c-Kit,FGFR,FLT3,PDGFR,VEGFR

>  <Form> (253)
Lactate monohydrate

>  <CAS> (253)
915769-50-5 (monohydrate)

>  <URL> (253)
http://selleckchem.com/products/dovitinib-tki258-lactate.html

$$$$
BLZ945.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (254)
2921

>  <Formula> (254)
C20H22N4O3S

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398.47868

>  <Cat> (254)
S7725

>  <Name> (254)
BLZ945

>  <Synonyms> (254)
Sotuletinib

>  <Target> (254)
CSF-1R

>  <Form> (254)
free base

>  <CAS> (254)
953769-46-5

>  <URL> (254)
http://selleckchem.com/products/blz945.html

$$$$
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FGFR

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free base

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1265229-25-1

>  <URL> (255)
http://selleckchem.com/products/ch5183284-debio-1347.html

$$$$
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ANA-12

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N/A

>  <Target> (256)
Trk receptor

>  <Form> (256)
free base

>  <CAS> (256)
219766-25-3

>  <URL> (256)
http://selleckchem.com/products/ana-12.html

$$$$
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2936

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C22H28ClN7O3S

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S7782

>  <Name> (257)
Dasatinib Monohydrate

>  <Synonyms> (257)
BMS-354825 Monohydrate

>  <Target> (257)
Bcr-Abl,c-Kit,Src

>  <Form> (257)
Monohydrate

>  <CAS> (257)
863127-77-9

>  <URL> (257)
http://selleckchem.com/products/dasatinib-monohydrate.html

$$$$
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csChFnd80/04092414132D

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Sunitinib (SU11248)

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SU11248

>  <Target> (258)
Apoptosis related,Autophagy,c-Kit,IRE1,PDGFR,VEGFR

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free base

>  <CAS> (258)
557795-19-4

>  <URL> (258)
http://selleckchem.com/products/sunitinib.html

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (259)
2939

>  <Formula> (259)
C22H23N3O4

>  <MolWeight> (259)
393.43572

>  <Cat> (259)
S7786

>  <Name> (259)
Erlotinib (OSI-774)

>  <Synonyms> (259)
CP358774, NSC 718781, Tarceva

>  <Target> (259)
Autophagy,EGFR

>  <Form> (259)
free base

>  <CAS> (259)
183321-74-6

>  <URL> (259)
http://selleckchem.com/products/erlotinib.html

$$$$
CL-387785.cdx
csChFnd80/04092414132D

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 18  2  2  0  0  0  0
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M  END
>  <Mol_ID> (260)
2941

>  <Formula> (260)
C18H13BrN4O

>  <MolWeight> (260)
381.22602

>  <Cat> (260)
S7557

>  <Name> (260)
CL-387785 (EKI-785)

>  <Synonyms> (260)
WAY-EKI 785

>  <Target> (260)
EGFR

>  <Form> (260)
free base

>  <CAS> (260)
194423-06-8

>  <URL> (260)
http://selleckchem.com/products/cl-387785-eki-785.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (261)
2953

>  <Formula> (261)
C32H33ClFN5O11

>  <MolWeight> (261)
718.0827232

>  <Cat> (261)
S7810

>  <Name> (261)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (261)
N/A

>  <Target> (261)
Autophagy,EGFR,HER2

>  <Form> (261)
Dimaleate

>  <CAS> (261)
850140-73-7

>  <URL> (261)
http://selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
LDN-214117.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (262)
2959

>  <Formula> (262)
C25H29N3O3

>  <MolWeight> (262)
419.51606

>  <Cat> (262)
S7627

>  <Name> (262)
LDN-214117

>  <Synonyms> (262)
N/A

>  <Target> (262)
TGF-beta/Smad

>  <Form> (262)
free base

>  <CAS> (262)
1627503-67-6

>  <URL> (262)
http://selleckchem.com/products/ldn-214117.html

$$$$
AZD2932.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (263)
2962

>  <Formula> (263)
C24H25N5O4

>  <MolWeight> (263)
447.4864

>  <Cat> (263)
S7003

>  <Name> (263)
AZD2932

>  <Synonyms> (263)
N/A

>  <Target> (263)
c-Kit,FLT3,PDGFR,VEGFR

>  <Form> (263)
free base

>  <CAS> (263)
883986-34-3

>  <URL> (263)
http://selleckchem.com/products/azd2932.html

$$$$
ARRY-614.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (264)
2977

>  <Formula> (264)
C31H33FN6O3

>  <MolWeight> (264)
556.6305232

>  <Cat> (264)
S7799

>  <Name> (264)
Pexmetinib (ARRY-614)

>  <Synonyms> (264)
N/A

>  <Target> (264)
p38 MAPK,Tie-2

>  <Form> (264)
free base

>  <CAS> (264)
945614-12-0

>  <URL> (264)
http://selleckchem.com/products/pexmetinib-arry-614.html

$$$$
PLX3397.cdx
csChFnd80/04092414132D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (265)
2983

>  <Formula> (265)
C20H15ClF3N5

>  <MolWeight> (265)
417.8148096

>  <Cat> (265)
S7818

>  <Name> (265)
Pexidartinib (PLX3397)

>  <Synonyms> (265)
N/A

>  <Target> (265)
Apoptosis related,c-Kit,CSF-1R,FLT3

>  <Form> (265)
free base

>  <CAS> (265)
1029044-16-3

>  <URL> (265)
http://selleckchem.com/products/pexidartinib-plx3397.html

$$$$
Entrectinib (RXDX-101, NMS-E628).cdx
csChFnd80/04092414132D

 41 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (266)
3003

>  <Formula> (266)
C31H34F2N6O2

>  <MolWeight> (266)
560.6374664

>  <Cat> (266)
S7998

>  <Name> (266)
Entrectinib (RXDX-101)

>  <Synonyms> (266)
NMS-E628

>  <Target> (266)
ALK,Autophagy,ROS1,Trk receptor

>  <Form> (266)
free base

>  <CAS> (266)
1108743-60-7

>  <URL> (266)
http://selleckchem.com/products/entrectinib-rxdx-101.html

$$$$
FIIN-2.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (267)
3011

>  <Formula> (267)
C35H38N8O4

>  <MolWeight> (267)
634.72742

>  <Cat> (267)
S7714

>  <Name> (267)
FIIN-2

>  <Synonyms> (267)
N/A

>  <Target> (267)
FGFR

>  <Form> (267)
free base

>  <CAS> (267)
1633044-56-0

>  <URL> (267)
http://selleckchem.com/products/fiin-2.html

$$$$
AZD3759.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (268)
3029

>  <Formula> (268)
C22H23ClFN5O3

>  <MolWeight> (268)
459.9011232

>  <Cat> (268)
S7971

>  <Name> (268)
Zorifertinib (AZD3759)

>  <Synonyms> (268)
N/A

>  <Target> (268)
EGFR

>  <Form> (268)
free base

>  <CAS> (268)
1626387-80-1

>  <URL> (268)
http://selleckchem.com/products/azd3759.html

$$$$
Resiquimod.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (269)
3030

>  <Formula> (269)
C17H22N4O2

>  <MolWeight> (269)
314.38218

>  <Cat> (269)
S8133

>  <Name> (269)
Resiquimod (R-848)

>  <Synonyms> (269)
S28463

>  <Target> (269)
HCV,IFN,Interleukins,TLR,TNF-alpha

>  <Form> (269)
free base

>  <CAS> (269)
144875-48-9

>  <URL> (269)
http://selleckchem.com/products/resiquimod.html

$$$$
ON123300.cdx
csChFnd80/04092414132D

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AMPK,CDK,c-RET,FGFR,PDGFR,Src

>  <Form> (270)
free base

>  <CAS> (270)
1357470-29-1

>  <URL> (270)
http://selleckchem.com/products/on123300.html

$$$$

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3074

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C10H8N2O3

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AG99

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Tyrphostin 46,Tyrphostin A46,Tyrphostin B40

>  <Target> (271)
EGFR

>  <Form> (271)
Free Base

>  <CAS> (271)
122520-85-8

>  <URL> (271)
http://www.selleck.cn/products/ag99.html

$$$$
SGI-7079.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (272)
3099

>  <Formula> (272)
C26H26FN7

>  <MolWeight> (272)
455.5299432

>  <Cat> (272)
S7847

>  <Name> (272)
SGI-7079

>  <Synonyms> (272)
N/A

>  <Target> (272)
Axl

>  <Form> (272)
free base

>  <CAS> (272)
1239875-86-5

>  <URL> (272)
http://selleckchem.com/products/sgi-7079.html

$$$$
GSK481.cdx
csChFnd80/04092414132D

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>  <Formula> (273)
C21H19N3O4

>  <MolWeight> (273)
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>  <Cat> (273)
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>  <Name> (273)
GSK481

>  <Synonyms> (273)
N/A

>  <Target> (273)
RIP kinase

>  <Form> (273)
free base

>  <CAS> (273)
1622849-58-4

>  <URL> (273)
http://selleckchem.com/products/gsk481.html

$$$$
AMG337.cdx
csChFnd80/04092414132D

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3131

>  <Formula> (274)
C23H22FN7O3

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>  <Name> (274)
AMG 337

>  <Synonyms> (274)
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>  <Target> (274)
c-Met

>  <Form> (274)
free base

>  <CAS> (274)
1173699-31-4

>  <URL> (274)
http://selleckchem.com/products/amg-337.html

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/04092414132D

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    8.4870    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    4.4674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2787    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    1.2124    2.8000    0.0000 N   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
    3.6373    2.8000    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
  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  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 26 29  2  0  0  0  0
  7 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34  7  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (275)
3146

>  <Formula> (275)
C26H26N6O2S

>  <MolWeight> (275)
486.58864

>  <Cat> (275)
S8294

>  <Name> (275)
Olmutinib (BI 1482694)

>  <Synonyms> (275)
HM61713

>  <Target> (275)
BTK,EGFR

>  <Form> (275)
free base

>  <CAS> (275)
1353550-13-6

>  <URL> (275)
http://selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
S4690 Vitamin E.cdx
csChFnd80/04092414132D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.6403    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    3.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8491    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0658    2.1073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2161    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2782    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036    1.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6854    1.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9256    2.1347    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1058    1.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9256    3.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3525    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    1.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7776    2.2144    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9535    1.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7776    3.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2022    2.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3779    1.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6268    2.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8024    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6268    3.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0592    3.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 11  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  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
 23 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
  7 31  1  1  0  0  0
M  END
>  <Mol_ID> (276)
3158

>  <Formula> (276)
C29H50O2

>  <MolWeight> (276)
430.7061

>  <Cat> (276)
S4686

>  <Name> (276)
Vitamin E

>  <Synonyms> (276)
Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (276)
COX,VEGFR

>  <Form> (276)
free base

>  <CAS> (276)
59-02-9

>  <URL> (276)
http://selleckchem.com/products/vitamin-e.html

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/04092414132D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    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
  6 11  1  0  0  0  0
  1 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (277)
3163

>  <Formula> (277)
C15H10O4

>  <MolWeight> (277)
254.2375

>  <Cat> (277)
S8319

>  <Name> (277)
7,8-Dihydroxyflavone

>  <Synonyms> (277)
7,8-DHF

>  <Target> (277)
Trk receptor

>  <Form> (277)
free base

>  <CAS> (277)
38183-03-8

>  <URL> (277)
http://selleckchem.com/products/7-8-dihydroxyflavone.html

$$$$
SIS3.cdx
csChFnd80/04092414132D

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    4.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5890    4.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2890    6.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6890    6.1406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3890    4.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4890    6.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7890    7.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8890    6.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8890    8.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6890    8.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6792    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    3.6765    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
  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
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 13 20  2  0  0  0  0
 17 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 18  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
  8 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
M  END
>  <Mol_ID> (278)
3184

>  <Formula> (278)
C28H28ClN3O3

>  <MolWeight> (278)
489.99322

>  <Cat> (278)
S7959

>  <Name> (278)
SIS3 HCl

>  <Synonyms> (278)
N/A

>  <Target> (278)
TGF-beta/Smad

>  <Form> (278)
hydrochloride

>  <CAS> (278)
521984-48-5

>  <URL> (278)
https://www.selleckchem.com/products/sis3-hcl.html

$$$$
EAI045.cdx
csChFnd80/04092414132D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.6406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8531    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4282    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2157    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (279)
3191

>  <Formula> (279)
C19H14FN3O3S

>  <MolWeight> (279)
383.3961632

>  <Cat> (279)
S8242

>  <Name> (279)
EAI045

>  <Synonyms> (279)
N/A

>  <Target> (279)
EGFR

>  <Form> (279)
free base

>  <CAS> (279)
1942114-09-1

>  <URL> (279)
http://selleckchem.com/products/eai045.html

$$$$
ATI-2341.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (280)
3192

>  <Formula> (280)
C104H178N26O25S2

>  <MolWeight> (280)
2256.81532

>  <Cat> (280)
S8309

>  <Name> (280)
ATI-2341

>  <Synonyms> (280)
N/A

>  <Target> (280)
CXCR

>  <Form> (280)
free base

>  <CAS> (280)
1337878-62-2

>  <URL> (280)
http://selleckchem.com/products/ati-2341.html

$$$$
Shikonin.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (281)
3193

>  <Formula> (281)
C16H16O5

>  <MolWeight> (281)
288.29524

>  <Cat> (281)
S8279

>  <Name> (281)
Shikonin (C.I. 75535)

>  <Synonyms> (281)
Anchusin, Anchusa acid, Alkanna Red, Isoarnebin 4, NSC 252844

>  <Target> (281)
Anti-infection,Chloride Channel,COVID-19,NF-¦ÊB,PKM,Proteasome,TNF-alpha

>  <Form> (281)
free base

>  <CAS> (281)
54952-43-1

>  <URL> (281)
http://selleckchem.com/products/shikonin.html

$$$$
LOXO-101.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (282)
3201

>  <Formula> (282)
C21H24F2N6O6S

>  <MolWeight> (282)
526.5136664

>  <Cat> (282)
S7960

>  <Name> (282)
Larotrectinib (LOXO-101) sulfate

>  <Synonyms> (282)
ARRY-470, Larotrectinib

>  <Target> (282)
Apoptosis related,Trk receptor

>  <Form> (282)
sulfate

>  <CAS> (282)
1223405-08-0

>  <URL> (282)
http://selleckchem.com/products/loxo-101.html

$$$$
NSC228155.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (283)
3205

>  <Formula> (283)
C11H6N4O4S

>  <MolWeight> (283)
290.25474

>  <Cat> (283)
S8312

>  <Name> (283)
NSC228155

>  <Synonyms> (283)
N/A

>  <Target> (283)
EGFR

>  <Form> (283)
free base

>  <CAS> (283)
113104-25-9

>  <URL> (283)
http://selleckchem.com/products/nsc228155.html

$$$$
ZK756326.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (284)
3207

>  <Formula> (284)
C21H30Cl2N2O3

>  <MolWeight> (284)
429.3805

>  <Cat> (284)
S8324

>  <Name> (284)
ZK756326 2HCl

>  <Synonyms> (284)
N/A

>  <Target> (284)
CCR

>  <Form> (284)
Dihydrochloride

>  <CAS> (284)
874911-96-3

>  <URL> (284)
http://selleckchem.com/products/zk756326.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (285)
3218

>  <Formula> (285)
C22H15F3N4O2

>  <MolWeight> (285)
424.3753096

>  <Cat> (285)
S8189

>  <Name> (285)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (285)
N/A

>  <Target> (285)
c-RET,Raf,VEGFR

>  <Form> (285)
free base

>  <CAS> (285)
861875-60-7

>  <URL> (285)
http://selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Alantolactone.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (286)
3223

>  <Formula> (286)
C15H20O2

>  <MolWeight> (286)
232.3181

>  <Cat> (286)
S8318

>  <Name> (286)
Alantolactone

>  <Synonyms> (286)
helenin, helenine, Eupatal

>  <Target> (286)
TGF-beta/Smad

>  <Form> (286)
free base

>  <CAS> (286)
546-43-0

>  <URL> (286)
http://selleckchem.com/products/alantolactone.html

$$$$
AS101.cdx
csChFnd80/04092414132D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (287)
3226

>  <Formula> (287)
C2H8Cl3NO2Te

>  <MolWeight> (287)
312.04942

>  <Cat> (287)
S8301

>  <Name> (287)
Ossirene

>  <Synonyms> (287)
AS101

>  <Target> (287)
Immunology & Inflammation related,Interleukins

>  <Form> (287)
Coordination Co

>  <CAS> (287)
106566-58-9

>  <URL> (287)
http://selleckchem.com/products/as101.html

$$$$
BFH772.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (288)
3230

>  <Formula> (288)
C23H16F3N3O3

>  <MolWeight> (288)
439.3866496

>  <Cat> (288)
S8188

>  <Name> (288)
BFH772

>  <Synonyms> (288)
BFH 772, BFH-772

>  <Target> (288)
VEGFR

>  <Form> (288)
free base

>  <CAS> (288)
890128-81-1

>  <URL> (288)
http://selleckchem.com/products/bfh772.html

$$$$
NT157.cdx
csChFnd80/04092414132D

 24 25  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (289)
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>  <MolWeight> (289)
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>  <Cat> (289)
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>  <Name> (289)
NT157

>  <Synonyms> (289)
N/A

>  <Target> (289)
IGF-1R

>  <Form> (289)
free base

>  <CAS> (289)
1384426-12-3

>  <URL> (289)
http://selleckchem.com/products/nt157.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/04092414132D

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>  <Mol_ID> (290)
3244

>  <Formula> (290)
C26H24N8O2

>  <MolWeight> (290)
480.52116

>  <Cat> (290)
S8362

>  <Name> (290)
Tucatinib

>  <Synonyms> (290)
Irbinitinib, ONT-380, ARRY-380

>  <Target> (290)
EGFR,HER2

>  <Form> (290)
free base

>  <CAS> (290)
937263-43-9

>  <URL> (290)
http://selleckchem.com/products/arry-380-ont-380.html

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/04092414132D

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>  <Mol_ID> (291)
3246

>  <Formula> (291)
C30H22F2N6O3

>  <MolWeight> (291)
552.5308864

>  <Cat> (291)
S7014

>  <Name> (291)
Merestinib (LY2801653)

>  <Synonyms> (291)
N/A

>  <Target> (291)
Axl,c-Met,DDR,FLT3,Mertk,ROS1

>  <Form> (291)
free base

>  <CAS> (291)
1206799-15-6

>  <URL> (291)
http://selleckchem.com/products/ly2801653-merestinib.html

$$$$
JNJ-42756493 (Erdafitinib).cdx
csChFnd80/04092414132D

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>  <Mol_ID> (292)
3259

>  <Formula> (292)
C25H30N6O2

>  <MolWeight> (292)
446.5447

>  <Cat> (292)
S8401

>  <Name> (292)
Erdafitinib (JNJ-42756493)

>  <Synonyms> (292)
N/A

>  <Target> (292)
Apoptosis related,c-Kit,c-RET,CSF-1R,FGFR,PDGFR,VEGFR

>  <Form> (292)
free base

>  <CAS> (292)
1346242-81-6

>  <URL> (292)
http://selleckchem.com/products/jnj-42756493-erdafitinib.html

$$$$
NSC12.cdx
csChFnd80/04092414132D

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NSC 172285

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FGFR

>  <Form> (293)
free base

>  <CAS> (293)
102586-30-1

>  <URL> (293)
http://selleckchem.com/products/nsc12.html

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S49076

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N/A

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Axl,c-Met,FGFR,Mertk

>  <Form> (294)
free base

>  <CAS> (294)
1265965-22-7

>  <URL> (294)
http://selleckchem.com/products/s49076.html

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GSK583.cdx
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C20H19FN4O2S

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GSK583

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N/A

>  <Target> (295)
Interleukins,RIP kinase,TNF-alpha

>  <Form> (295)
free base

>  <CAS> (295)
1346547-00-9

>  <URL> (295)
http://selleckchem.com/products/gsk583.html

$$$$
AMD3465.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (296)
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C24H44Br6N6

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>  <Cat> (296)
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>  <Name> (296)
AMD3465 hexahydrobromide

>  <Synonyms> (296)
N/A

>  <Target> (296)
CXCR

>  <Form> (296)
HBr

>  <CAS> (296)
185991-07-5, 185991-24-6 (free base)

>  <URL> (296)
http://selleckchem.com/products/amd3465.html

$$$$

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N/A

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FLT3

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Free Base

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1370256-78-2

>  <URL> (297)
http://www.selleck.cn/products/sklb4771-flt3-in1.html

$$$$
ASP8273 (Naquotinib).cdx
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Naquotinib(ASP8273)

>  <Synonyms> (298)
N/A

>  <Target> (298)
EGFR

>  <Form> (298)
free base

>  <CAS> (298)
1448232-80-1

>  <URL> (298)
http://selleckchem.com/products/naquotinib-asp8273.html

$$$$

csChFnd80/04092414132D

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3319

>  <Formula> (299)
C21H18F3N5O

>  <MolWeight> (299)
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>  <Cat> (299)
S2931

>  <Name> (299)
Aurora Kinase Inhibitor III

>  <Synonyms> (299)
N/A

>  <Target> (299)
Aurora Kinase

>  <Form> (299)
Free Base

>  <CAS> (299)
879127-16-9

>  <URL> (299)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

$$$$
SUN11602.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (300)
3321

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C26H37N5O2

>  <MolWeight> (300)
451.60428

>  <Cat> (300)
S8192

>  <Name> (300)
SUN11602

>  <Synonyms> (300)
N/A

>  <Target> (300)
FGFR

>  <Form> (300)
free base

>  <CAS> (300)
704869-38-5

>  <URL> (300)
http://selleckchem.com/products/sun11602.html

$$$$
Bioymifi.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (301)
3322

>  <Formula> (301)
C22H12BrN3O4S

>  <MolWeight> (301)
494.31738

>  <Cat> (301)
S7942

>  <Name> (301)
Bioymifi

>  <Synonyms> (301)
N/A

>  <Target> (301)
TNF-alpha

>  <Form> (301)
free base

>  <CAS> (301)
1420071-30-2

>  <URL> (301)
http://selleckchem.com/products/bioymifi.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/04092414132D

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>  <Mol_ID> (302)
3325

>  <Formula> (302)
C26H31ClN6O2

>  <MolWeight> (302)
495.01634

>  <Cat> (302)
S7824

>  <Name> (302)
Nazartinib (EGF816)

>  <Synonyms> (302)
NVS-816

>  <Target> (302)
EGFR

>  <Form> (302)
free base

>  <CAS> (302)
1508250-71-2

>  <URL> (302)
http://selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
PD-166866.cdx
csChFnd80/04092414132D

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3329

>  <Formula> (303)
C20H24N6O3

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>  <Cat> (303)
S8493

>  <Name> (303)
PD-166866 (PD166866)

>  <Synonyms> (303)
N/A

>  <Target> (303)
FGFR

>  <Form> (303)
free base

>  <CAS> (303)
192705-79-6

>  <URL> (303)
http://selleckchem.com/products/pd-166866.html

$$$$
BLU-554.cdx
csChFnd80/04092414132D

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>  <Name> (304)
Fisogatinib (BLU-554)

>  <Synonyms> (304)
N/A

>  <Target> (304)
FGFR

>  <Form> (304)
free base

>  <CAS> (304)
1707289-21-1

>  <URL> (304)
http://selleckchem.com/products/blu-554.html

$$$$
DAPTA.cdx
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C35H56N10O15

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>  <Cat> (305)
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>  <Name> (305)
Adaptavir (DAPTA)

>  <Synonyms> (305)
D-Ala-peptide T-amide, peptide T

>  <Target> (305)
CCR

>  <Form> (305)
free base

>  <CAS> (305)
106362-34-9

>  <URL> (305)
http://selleckchem.com/products/dapta.html

$$$$
AD80.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (306)
3358

>  <Formula> (306)
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>  <MolWeight> (306)
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>  <Cat> (306)
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>  <Name> (306)
AD80

>  <Synonyms> (306)
N/A

>  <Target> (306)
c-RET,S6 Kinase,Src

>  <Form> (306)
free base

>  <CAS> (306)
1384071-99-1

>  <URL> (306)
http://selleckchem.com/products/ad80.html

$$$$
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M  END
>  <Mol_ID> (307)
3361

>  <Formula> (307)
C31H26F2N4O6

>  <MolWeight> (307)
588.5581464

>  <Cat> (307)
S8570

>  <Name> (307)
RXDX-106 (CEP-40783)

>  <Synonyms> (307)
N/A

>  <Target> (307)
Axl,c-Met,Mertk,Tyro3

>  <Form> (307)
free base

>  <CAS> (307)
1437321-24-8

>  <URL> (307)
http://selleckchem.com/products/rxdx-106-cep-40783.html

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (308)
3368

>  <Formula> (308)
C33H29F2N5O4S

>  <MolWeight> (308)
629.6762664

>  <Cat> (308)
S8573

>  <Name> (308)
Sitravatinib (MGCD516)

>  <Synonyms> (308)
MG-516

>  <Target> (308)
Axl,c-Kit,Ephrin receptor,Trk receptor,VEGFR

>  <Form> (308)
free base

>  <CAS> (308)
1123837-84-2

>  <URL> (308)
http://selleckchem.com/products/sitravatinib-mgcd516.html

$$$$
TPX-0005.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (309)
3372

>  <Formula> (309)
C18H18FN5O2

>  <MolWeight> (309)
355.3662232

>  <Cat> (309)
S8583

>  <Name> (309)
Repotrectinib (TPX-0005)

>  <Synonyms> (309)
N/A

>  <Target> (309)
ALK,ROS1,Src,Trk receptor

>  <Form> (309)
free base

>  <CAS> (309)
1802220-02-5

>  <URL> (309)
http://selleckchem.com/products/tpx-0005.html

$$$$
GSK2982772.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (310)
3373

>  <Formula> (310)
C20H19N5O3

>  <MolWeight> (310)
377.39656

>  <Cat> (310)
S8484

>  <Name> (310)
GSK2982772

>  <Synonyms> (310)
N/A

>  <Target> (310)
RIP kinase,TNF-alpha

>  <Form> (310)
free base

>  <CAS> (310)
1622848-92-3

>  <URL> (310)
http://selleckchem.com/products/gsk2982772.html

$$$$
TAK-659.cdx
csChFnd80/04092414132D

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>  <Target> (311)
FLT3,Syk

>  <Form> (311)
hydrochloride

>  <CAS> (311)
1952251-28-3

>  <URL> (311)
http://selleckchem.com/products/tak-659.html

$$$$
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>  <Synonyms> (312)
N/A

>  <Target> (312)
Trk receptor

>  <Form> (312)
free base

>  <CAS> (312)
1402438-74-7

>  <URL> (312)
http://selleckchem.com/products/pf-06273340.html

$$$$
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csChFnd80/04092414132D

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3391

>  <Formula> (313)
C33H44FN5O3

>  <MolWeight> (313)
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>  <Cat> (313)
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>  <Name> (313)
Belizatinib (TSR-011)

>  <Synonyms> (313)
N/A

>  <Target> (313)
ALK,Trk receptor

>  <Form> (313)
free base

>  <CAS> (313)
1357920-84-3

>  <URL> (313)
http://selleckchem.com/products/tsr-011-belizatinib.html

$$$$
PRN1371.cdx
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>  <Formula> (314)
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>  <Cat> (314)
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>  <Name> (314)
PRN1371

>  <Synonyms> (314)
N/A

>  <Target> (314)
CSF-1R,FGFR

>  <Form> (314)
free base

>  <CAS> (314)
1802929-43-6

>  <URL> (314)
http://selleckchem.com/products/prn1371.html

$$$$
Gilteritinib (ASP2215).cdx
csChFnd80/04092414132D

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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 28 23  1  0  0  0  0
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M  END
>  <Mol_ID> (315)
3400

>  <Formula> (315)
C29H44N8O3

>  <MolWeight> (315)
552.71146

>  <Cat> (315)
S7754

>  <Name> (315)
Gilteritinib (ASP2215)

>  <Synonyms> (315)
N/A

>  <Target> (315)
Axl,FLT3

>  <Form> (315)
free base

>  <CAS> (315)
1254053-43-4

>  <URL> (315)
http://selleckchem.com/products/gilteritinib-asp2215.html

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/04092414132D

 19 19  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    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
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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M  END
>  <Mol_ID> (316)
3418

>  <Formula> (316)
C14H21NO3S

>  <MolWeight> (316)
283.38644

>  <Cat> (316)
S8640

>  <Name> (316)
Reparixin (Repertaxin)

>  <Synonyms> (316)
DF 1681Y

>  <Target> (316)
CXCR

>  <Form> (316)
free base

>  <CAS> (316)
266359-83-5

>  <URL> (316)
http://selleckchem.com/products/reparixin-repertaxin.html

$$$$
H3B-6527.cdx
csChFnd80/04092414132D

 43 46  0  0  0  0  0  0  0  0999 V2000
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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  5  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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  7 14  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18  7  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 23 27  1  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  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
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 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
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 33 39  1  0  0  0  0
 36 40  1  0  0  0  0
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 40 43  1  0  0  0  0
M  END
>  <Mol_ID> (317)
3454

>  <Formula> (317)
C29H34Cl2N8O4

>  <MolWeight> (317)
629.53746

>  <Cat> (317)
S8675

>  <Name> (317)
H3B-6527

>  <Synonyms> (317)
N/A

>  <Target> (317)
FGFR

>  <Form> (317)
free base

>  <CAS> (317)
1702259-66-2

>  <URL> (317)
http://selleckchem.com/products/h3b-6527.html

$$$$
Takinib.cdx
csChFnd80/04092414132D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    3.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  2  0  0  0  0
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 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
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 18 24  2  0  0  0  0
M  END
>  <Mol_ID> (318)
3470

>  <Formula> (318)
C18H18N4O2

>  <MolWeight> (318)
322.36112

>  <Cat> (318)
S8663

>  <Name> (318)
Takinib (EDHS-206)

>  <Synonyms> (318)
EDHS-206

>  <Target> (318)
Apoptosis related,IRAK,TAK1

>  <Form> (318)
free base

>  <CAS> (318)
1111556-37-6

>  <URL> (318)
http://selleckchem.com/products/takinib.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/04092414132D

 20 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (319)
3499

>  <Formula> (319)
C6H6Na3O9P

>  <MolWeight> (319)
322.049511

>  <Cat> (319)
S5115

>  <Name> (319)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (319)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (319)
c-Met

>  <Form> (319)
sodium salt

>  <CAS> (319)
66170-10-3

>  <URL> (319)
http://selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
2-D08.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (320)
3527

>  <Formula> (320)
C15H10O5

>  <MolWeight> (320)
270.2369

>  <Cat> (320)
S8696

>  <Name> (320)
2-D08

>  <Synonyms> (320)
2',3',4'-trihydroxy flavone

>  <Target> (320)
SUMO

>  <Form> (320)
free base

>  <CAS> (320)
144707-18-6

>  <URL> (320)
http://selleckchem.com/products/2-d08.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (321)
3567

>  <Formula> (321)
C21H17ClF4N4O4

>  <MolWeight> (321)
500.8306928

>  <Cat> (321)
S5077

>  <Name> (321)
Regorafenib (BAY-734506) Monohydrate

>  <Synonyms> (321)
Fluoro-sorafenib, Resihance, Stivarga, regorafaenib monohydrate

>  <Target> (321)
c-Kit,c-RET,PDGFR,Raf,VEGFR

>  <Form> (321)
monohydrate

>  <CAS> (321)
1019206-88-2

>  <URL> (321)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
SNS-314.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (322)
3585

>  <Formula> (322)
C18H15ClN6OS2

>  <MolWeight> (322)
430.9343

>  <Cat> (322)
S8699

>  <Name> (322)
SNS-314 Mesylate

>  <Synonyms> (322)
N/A

>  <Target> (322)
Aurora Kinase

>  <Form> (322)
Mesylate

>  <CAS> (322)
1146618-41-8

>  <URL> (322)
http://selleckchem.com/products/sns-314.html

$$$$
BMS-935177.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (323)
3593

>  <Formula> (323)
C31H26N4O3

>  <MolWeight> (323)
502.56314

>  <Cat> (323)
S8348

>  <Name> (323)
BMS-935177

>  <Synonyms> (323)
N/A

>  <Target> (323)
BTK,Trk receptor

>  <Form> (323)
free base

>  <CAS> (323)
1231889-53-4

>  <URL> (323)
http://selleckchem.com/products/bms-935177.html

$$$$
ML221.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (324)
3615

>  <Formula> (324)
C17H11N3O6S

>  <MolWeight> (324)
385.35074

>  <Cat> (324)
S8695

>  <Name> (324)
ML221

>  <Synonyms> (324)
N/A

>  <Target> (324)
Angiotensin Receptor

>  <CAS> (324)
877636-42-5

>  <URL> (324)
http://selleckchem.com/products/ml221.html

$$$$
S5232 Alectinib hydrochloride.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (325)
3622

>  <Formula> (325)
C30H35ClN4O2

>  <MolWeight> (325)
519.0775

>  <Cat> (325)
S5232

>  <Name> (325)
Alectinib (CH5424802) hydrochloride

>  <Synonyms> (325)
AF802, RO5424802, RG-7853

>  <Target> (325)
ALK

>  <Form> (325)
hydrochloride

>  <CAS> (325)
1256589-74-8

>  <URL> (325)
http://selleckchem.com/products/alectinib-hydrochloride.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (326)
3682

>  <Formula> (326)
C22H25Cl2FN4O3

>  <MolWeight> (326)
483.3633032

>  <Cat> (326)
S5098

>  <Name> (326)
Gefitinib hydrochloride

>  <Synonyms> (326)
ZD1839 hydrochloride

>  <Target> (326)
EGFR

>  <Form> (326)
hydrochloride

>  <CAS> (326)
184475-55-6

>  <URL> (326)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
GSK'963.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (327)
3730

>  <Formula> (327)
C14H18N2O

>  <MolWeight> (327)
230.30552

>  <Cat> (327)
S8642

>  <Name> (327)
GSK'963

>  <Synonyms> (327)
N/A

>  <Target> (327)
RIP kinase

>  <Form> (327)
free base

>  <CAS> (327)
2049868-46-2

>  <URL> (327)
http://selleckchem.com/products/gsk963.html

$$$$
Anlotinib (AL3818).cdx
csChFnd80/04092414132D

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>  <Mol_ID> (328)
3733

>  <Formula> (328)
C23H24Cl2FN3O3

>  <MolWeight> (328)
480.3593632

>  <Cat> (328)
S8726

>  <Name> (328)
Anlotinib (AL3818) dihydrochloride

>  <Synonyms> (328)
N/A

>  <Target> (328)
VEGFR

>  <Form> (328)
dihydrochloride

>  <CAS> (328)
1360460-82-7

>  <URL> (328)
http://selleckchem.com/products/anlotinib-al3818.html

$$$$
DCC-2618.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (329)
3734

>  <Formula> (329)
C26H21F2N5O3

>  <MolWeight> (329)
489.4734464

>  <Cat> (329)
S8721

>  <Name> (329)
PDGFR inhibitor 1

>  <Synonyms> (329)
N/A

>  <Target> (329)
c-Kit,CSF-1R,PDGFR,VEGFR

>  <CAS> (329)
1225278-16-9

>  <URL> (329)
https://www.selleckchem.com/products/pdgfr-inhibitor-1.html

$$$$
FGF401.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (330)
3735

>  <Formula> (330)
C25H30N8O4

>  <MolWeight> (330)
506.5569

>  <Cat> (330)
S8548

>  <Name> (330)
Roblitinib (FGF401)

>  <Synonyms> (330)
N/A

>  <Target> (330)
FGFR

>  <Form> (330)
free base

>  <CAS> (330)
1708971-55-4

>  <URL> (330)
http://selleckchem.com/products/fgf401.html

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/04092414132D

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   12.6579   12.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2855   10.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6378   10.5446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6278    9.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9801    9.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3424   11.2693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3525   12.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0002   11.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6947   11.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9362   11.8710    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
   16.4689    4.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6813    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2565    4.0011    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.9565    2.7886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5565    5.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0440    3.3011    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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 10  1  0  0  0  0
  2 13  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 15  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 22 27  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 37  1  0  0  0  0
 35 38  1  0  0  0  0
 31 32  1  0  0  0  0
 28 29  1  0  0  0  0
 28 39  1  0  0  0  0
 25 28  1  0  0  0  0
 21 22  1  0  0  0  0
 14 21  1  0  0  0  0
  3 14  2  0  0  0  0
 12 40  1  0  0  0  0
 41 42  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  2  0  0  0  0
 43 46  1  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <Mol_ID> (331)
3768

>  <Formula> (331)
C33H39N5O7S

>  <MolWeight> (331)
649.75706

>  <Cat> (331)
S5234

>  <Name> (331)
Nintedanib Ethanesulfonate Salt

>  <Synonyms> (331)
Intedanib, BIBF 1120

>  <Target> (331)
FGFR,PDGFR,VEGFR

>  <Form> (331)
ethanesulfonate

>  <CAS> (331)
656247-18-6

>  <URL> (331)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/04092414132D

 41 44  0  0  0  0  0  0  0  0999 V2000
   10.8290    3.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    3.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    7.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    7.8882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6787    7.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8912    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1036    7.8882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2500    9.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6194    9.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3194    8.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3826    7.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    9.2882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    9.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    5.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    3.2556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    5.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    3.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    3.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    7.1882    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.7509    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9633    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7509    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9591    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9633    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1715    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9591    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1673    2.0927    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  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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 12  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
 15 19  1  0  0  0  0
 14 15  1  0  0  0  0
  8 11  1  0  0  0  0
 20 21  1  0  0  0  0
  7 20  1  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 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
 23 31  1  0  0  0  0
 26 31  2  0  0  0  0
 24 32  1  0  0  0  0
 27 33  1  0  0  0  0
 22 28  1  0  0  0  0
  4 22  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 35 39  1  0  0  0  0
 37 40  2  0  0  0  0
 37 41  1  0  0  0  0
M  END
>  <Mol_ID> (332)
3770

>  <Formula> (332)
C29H31FN4O7

>  <MolWeight> (332)
566.5774432

>  <Cat> (332)
S5242

>  <Name> (332)
Cediranib Maleate

>  <Synonyms> (332)
AZD-2171 maleate

>  <Target> (332)
VEGFR

>  <Form> (332)
maleate

>  <CAS> (332)
857036-77-2

>  <URL> (332)
http://selleckchem.com/products/cediranib-maleate.html

$$$$
S5459 Aucubin.cdx
csChFnd80/04092414132D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.0753    6.9721    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2715    6.2815    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0753    8.3993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7964    6.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2715    4.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4855    6.9825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7263    8.8749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2416    9.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9290    7.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3659    5.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4814    4.1764    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4855    8.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3056   10.2067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4814    2.7902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6924    4.8756    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6945    2.0898    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8905    4.1838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6924    6.2807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9096    2.7914    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6945    0.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1090    4.8873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1093    2.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9141    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9110    5.5958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8873    9.7879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 25  1  1  0  0  0
  2  5  1  1  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 26  1  1  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
 11  5  1  1  0  0  0
  6 12  1  0  0  0  0
  7 13  1  1  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  6  0  0  0
 17 20  1  0  0  0  0
 17 21  1  1  0  0  0
 18 22  1  1  0  0  0
 18 20  1  0  0  0  0
 20 23  1  6  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (333)
3829

>  <Formula> (333)
C15H22O9

>  <MolWeight> (333)
346.32978

>  <Cat> (333)
S5459

>  <Name> (333)
Aucubin

>  <Synonyms> (333)
Rhinanthin

>  <Target> (333)
Immunology & Inflammation related

>  <Form> (333)
free base

>  <CAS> (333)
479-98-1

>  <URL> (333)
http://selleckchem.com/products/aucubin.html

$$$$
S5579 Chelidonic acid.cdx
csChFnd80/04092414132D

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (334)
3887

>  <Formula> (334)
C7H4O6

>  <MolWeight> (334)
184.10306

>  <Cat> (334)
S5579

>  <Name> (334)
Chelidonic acid

>  <Synonyms> (334)
Jerva acid, Jervaic acid, ¦Ã-Pyrone-2,6-dicarboxylic acid

>  <Target> (334)
Caspase,Decarboxylase,Immunology & Inflammation related,Interleukins,NF-¦ÊB

>  <Form> (334)
free base

>  <CAS> (334)
99-32-1

>  <URL> (334)
http://selleckchem.com/products/chelidonic-acid.html

$$$$
S5584 Citronellol.cdx
csChFnd80/04092414132D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (335)
3891

>  <Formula> (335)
C10H20O

>  <MolWeight> (335)
156.2652

>  <Cat> (335)
S5584

>  <Name> (335)
Citronellol

>  <Synonyms> (335)
Dihydrogeraniol, (¡À)-¦Â-Citronellol

>  <Target> (335)
Apoptosis related,Caspase,RIP kinase,ROS,TNF-alpha

>  <Form> (335)
free base

>  <CAS> (335)
106-22-9

>  <URL> (335)
http://selleckchem.com/products/citronellol.html

$$$$
S5588 Creatine.cdx
csChFnd80/04092414132D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (336)
3894

>  <Formula> (336)
C4H9N3O2

>  <MolWeight> (336)
131.13316

>  <Cat> (336)
S5588

>  <Name> (336)
Creatine

>  <Synonyms> (336)
Methylguanidoacetic acid

>  <Target> (336)
IFN,JAK

>  <Form> (336)
free base

>  <CAS> (336)
57-00-1

>  <URL> (336)
http://selleckchem.com/products/creatine.html

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (337)
3924

>  <Formula> (337)
C22H23ClN4O7S

>  <MolWeight> (337)
522.95862

>  <Cat> (337)
S5240

>  <Name> (337)
Lenvatinib (E7080) Mesylate

>  <Synonyms> (337)
E7080 mesylate

>  <Target> (337)
c-Kit,c-RET,FGFR,PDGFR,VEGFR

>  <Form> (337)
Mesylate

>  <CAS> (337)
857890-39-2

>  <URL> (337)
http://selleckchem.com/products/lenvatinib-mesylate.html

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/04092414132D

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>  <Mol_ID> (338)
3929

>  <Formula> (338)
C22H28FN4O6P

>  <MolWeight> (338)
494.4530842

>  <Cat> (338)
S5272

>  <Name> (338)
Toceranib phosphate

>  <Synonyms> (338)
Palladia, SU11654

>  <Target> (338)
PDGFR,VEGFR

>  <Form> (338)
phosphate

>  <CAS> (338)
874819-74-6

>  <URL> (338)
https://www.selleckchem.com/products/toceranib-phosphate.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (339)
3974

>  <Formula> (339)
C30H34N8O3

>  <MolWeight> (339)
554.64276

>  <Cat> (339)
S8724

>  <Name> (339)
Lazertinib

>  <Synonyms> (339)
YH25448,GNS-1480

>  <Target> (339)
EGFR

>  <Form> (339)
free base

>  <CAS> (339)
1903008-80-9

>  <URL> (339)
http://selleckchem.com/products/lazertinib-yh25448-gns-1480.html

$$$$
Apremilast (CC-10004).cdx
csChFnd80/04092414132D

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    9.0890    2.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2784    6.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9784    7.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2784    8.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8784    8.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1784    7.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9760    9.7334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3711    9.7334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3736    7.3127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0711    6.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3736    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5922    3.2312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  4  1  0  0  0  0
  1  2  1  0  0  0  0
 13 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 17 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 17  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 19 32  2  0  0  0  0
M  END
>  <Mol_ID> (340)
3993

>  <Formula> (340)
C22H24N2O7S

>  <MolWeight> (340)
460.50016

>  <Cat> (340)
S8034

>  <Name> (340)
Apremilast (CC-10004)

>  <Synonyms> (340)
CC-10004

>  <Target> (340)
PDE,TNF-alpha

>  <Form> (340)
free base

>  <CAS> (340)
608141-41-9

>  <URL> (340)
http://selleckchem.com/products/apremilast-cc-10004.html

$$$$
S9350 Ethyl 4-Methoxycinnamate.cdx
csChFnd80/04092414132D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  7 12  1  0  0  0  0
 14 15  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (341)
4005

>  <Formula> (341)
C12H14O3

>  <MolWeight> (341)
206.23776

>  <Cat> (341)
S9350

>  <Name> (341)
Ethyl 4-Methoxycinnamate

>  <Synonyms> (341)
Ethyl p-methoxycinnamate, 4-Methoxycinnamic Acid Ethyl Ester, Ethyl methoxycinnamate, Ethyl para-methoxycinnamate

>  <Target> (341)
Fungal

>  <Form> (341)
free base

>  <CAS> (341)
24393-56-4

>  <URL> (341)
https://www.selleckchem.com/products/ethyl-4-methoxycinnamate.html

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/04092414132D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (342)
4016

>  <Formula> (342)
C8H8O3

>  <MolWeight> (342)
152.14732

>  <Cat> (342)
S9374

>  <Name> (342)
2',5'-Dihydroxyacetophenone

>  <Synonyms> (342)
DHAP, 2-Acetylhydroquinone, Quinacetophenone

>  <Target> (342)
ERK,Interleukins,NF-¦ÊB,NOS,TNF-alpha

>  <CAS> (342)
490-78-8

>  <URL> (342)
https://www.selleckchem.com/products/2-5-dihydroxyacetophenone.html

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/04092414132D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4329    2.0759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6508    2.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2146    2.7692    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4329    0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    4.1553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8656    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    4.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    4.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8861    4.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    7.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    6.9860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    3.6098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    1.3211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    1.4068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    5.6205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4809    2.6481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 19  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  1  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (343)
4018

>  <Formula> (343)
C15H24N2O2

>  <MolWeight> (343)
264.36326

>  <Cat> (343)
S9384

>  <Name> (343)
Sophocarpine Monohydrate

>  <Target> (343)
Immunology & Inflammation related

>  <Form> (343)
free base

>  <CAS> (343)
145572-44-7

>  <URL> (343)
https://www.selleckchem.com/products/sophocarpine-monohydrate.html

$$$$
S9407 Angoroside C.cdx
csChFnd80/04092414132D

 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> (344)
4034

>  <Formula> (344)
C36H48O19

>  <MolWeight> (344)
784.75492

>  <Cat> (344)
S9407

>  <Name> (344)
Angoroside C

>  <Target> (344)
Immunology & Inflammation related

>  <Form> (344)
free base

>  <CAS> (344)
115909-22-3

>  <URL> (344)
https://www.selleckchem.com/products/angoroside-c.html

$$$$
S9414 Cyasterone.cdx
csChFnd80/04092414132D

 40 44  0  0  0  0  0  0  0  0999 V2000
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    7.3112    5.5776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6034    3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6231    6.0456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1113    6.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    6.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4670    4.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786    3.5009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6786    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.0231    6.0456    0.0000 H   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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 17 24  1  0  0  0  0
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 28 25  1  6  0  0  0
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 30 32  1  0  0  0  0
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 31 35  1  1  0  0  0
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  8 39  1  6  0  0  0
 20 40  1  6  0  0  0
M  END
>  <Mol_ID> (345)
4041

>  <Formula> (345)
C29H44O8

>  <MolWeight> (345)
520.65486

>  <Cat> (345)
S9414

>  <Name> (345)
Cyasterone

>  <Target> (345)
EGFR

>  <Form> (345)
free base

>  <CAS> (345)
17086-76-9

>  <URL> (345)
https://www.selleckchem.com/products/cyasterone.html

$$$$
S9417 Homoplantaginin.cdx
csChFnd80/04092414132D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.4869    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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 10  4  2  0  0  0  0
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  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
  9 12  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
 17 20  1  0  0  0  0
  1 14  1  0  0  0  0
 10 21  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
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 28 30  1  0  0  0  0
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 32 33  1  0  0  0  0
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  8 22  1  0  0  0  0
M  END
>  <Mol_ID> (346)
4043

>  <Formula> (346)
C22H22O11

>  <MolWeight> (346)
462.40348

>  <Cat> (346)
S9417

>  <Name> (346)
Homoplantaginin

>  <Synonyms> (346)
Hispidulin-7-glucoside

>  <Target> (346)
Immunology & Inflammation related,Interleukins,I¦ÊB/IKK,NF-¦ÊB,TNF-alpha

>  <Form> (346)
free base

>  <CAS> (346)
17680-84-1

>  <URL> (346)
https://www.selleckchem.com/products/homoplantaginin.html

$$$$
S9428 Brazilin.cdx
csChFnd80/04092414132D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.9739    2.5449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6386    2.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7896    1.4071    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.9733    0.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4964    0.1992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7264    4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    0.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    2.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7703    2.8317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2973    6.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6883    6.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0050    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0388    3.5868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  4 10  2  0  0  0  0
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  5 12  2  0  0  0  0
  5  7  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
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 13 18  1  0  0  0  0
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 15 19  2  0  0  0  0
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 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  1  0  0  0
M  END
>  <Mol_ID> (347)
4052

>  <Formula> (347)
C16H14O5

>  <MolWeight> (347)
286.27936

>  <Cat> (347)
S9428

>  <Name> (347)
Brazilin

>  <Synonyms> (347)
Natural Red 24

>  <Target> (347)
Beta Amyloid

>  <Form> (347)
free base

>  <CAS> (347)
474-07-7

>  <URL> (347)
https://www.selleckchem.com/products/brazilin.html

$$$$
S9437 Echinatin.cdx
csChFnd80/04092414132D

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 13  1  0  0  0  0
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 13 15  2  0  0  0  0
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 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (348)
4060

>  <Formula> (348)
C16H14O4

>  <MolWeight> (348)
270.27996

>  <Cat> (348)
S9437

>  <Name> (348)
Echinatin

>  <Target> (348)
Immunology & Inflammation related

>  <Form> (348)
free base

>  <CAS> (348)
34221-41-5

>  <URL> (348)
https://www.selleckchem.com/products/echinatin.html

$$$$

csChFnd80/04092414132D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    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
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    0.0000    2.1000    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
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (349)
4085

>  <Formula> (349)
C16H14O2

>  <MolWeight> (349)
238.28116

>  <Cat> (349)
S5851

>  <Name> (349)
4'-Methoxychalcone

>  <Synonyms> (349)
N/A

>  <Target> (349)
PPAR,TNF-alpha

>  <Form> (349)
Free Base

>  <CAS> (349)
959-23-9

>  <URL> (349)
http://www.selleckchem.com/products/4-methoxychalcone.html

$$$$

csChFnd80/04092414132D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8480    7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    7.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  7  1  1  0  0  0  0
  6  2  1  0  0  0  0
 13  2  1  0  0  0  0
  4  3  1  0  0  0  0
 12  3  2  0  0  0  0
  5  4  1  0  0  0  0
 10  5  2  0  0  0  0
  5  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 11  8  2  0  0  0  0
 14  9  1  0  0  0  0
 18  9  2  0  0  0  0
 15 11  1  0  0  0  0
 17 11  1  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 14  2  0  0  0  0
 16 14  1  0  0  0  0
 16 15  2  0  0  0  0
 22 18  1  0  0  0  0
 24 19  1  0  0  0  0
 23 20  2  0  0  0  0
 25 21  1  0  0  0  0
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 26 23  1  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (350)
4110

>  <Formula> (350)
C21H16N2O2S

>  <MolWeight> (350)
360.42894

>  <Cat> (350)
S5913

>  <Name> (350)
Cambinol

>  <Synonyms> (350)
N/A

>  <Target> (350)
Phospholipase (e.g. PLA)

>  <Form> (350)
Free Base

>  <CAS> (350)
14513-15-6

>  <URL> (350)
http://www.selleckchem.com/products/cambinol.html

$$$$

csChFnd80/04092414132D

 35 39  0  0  0  0  0  0  0  0999 V2000
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    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 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
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
 17 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 18  1  0  0  0  0
 19 25  1  1  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
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 30 31  1  0  0  0  0
  9 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (351)
4141

>  <Formula> (351)
C29H29FN4O

>  <MolWeight> (351)
468.5651632

>  <Cat> (351)
S8609

>  <Name> (351)
Derazantinib(ARQ-087)

>  <Synonyms> (351)
N/A

>  <Target> (351)
FGFR

>  <Form> (351)
Free Base

>  <CAS> (351)
1234356-69-4

>  <URL> (351)
http://www.selleckchem.com/products/derazantinib.html

$$$$

csChFnd80/04092414132D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5584    5.5552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5988    4.6184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8112    5.3184    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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (352)
4142

>  <Formula> (352)
C13H12ClN3O2

>  <MolWeight> (352)
277.70628

>  <Cat> (352)
S8641

>  <Name> (352)
Necrostatin 2 racemate (Nec-1s)

>  <Synonyms> (352)
7-Cl-O-Nec1, Necrostatin-1 stable, Necrostatin 1S

>  <Target> (352)
RIP kinase

>  <Form> (352)
racemate

>  <CAS> (352)
852391-15-2

>  <URL> (352)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/04092414132D

 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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    3.4374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 15  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (353)
4146

>  <Formula> (353)
C14H11ClN4S2

>  <MolWeight> (353)
334.84694

>  <Cat> (353)
S8700

>  <Name> (353)
TP0427736 HCl

>  <Synonyms> (353)
N/A

>  <Target> (353)
TGF-beta/Smad

>  <Form> (353)
hydrochloride

>  <CAS> (353)
864374-00-5

>  <URL> (353)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/04092414132D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    6.0622   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8185   10.0674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185   12.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4 12  1  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 18  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (354)
4153

>  <Formula> (354)
C26H26FN7O2

>  <MolWeight> (354)
487.5287432

>  <Cat> (354)
S8741

>  <Name> (354)
Avitinib (AC0010)

>  <Synonyms> (354)
Abivertinib

>  <Target> (354)
BTK,EGFR

>  <Form> (354)
Free Base

>  <CAS> (354)
1557267-42-1

>  <URL> (354)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/04092414132D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8951    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
    3.6331    4.8951    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    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3903    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2082    9.0903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.0903    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3520    5.0869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2578    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    7.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 11 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 11  1  0  0  0  0
 27 28  1  0  0  0  0
 27 20  1  0  0  0  0
 27 29  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (355)
4159

>  <Formula> (355)
C19H15N3O6S

>  <MolWeight> (355)
413.4039

>  <Cat> (355)
S8754

>  <Name> (355)
Alofanib (RPT835)

>  <Synonyms> (355)
N/A

>  <Target> (355)
FGFR

>  <Form> (355)
Free Base

>  <CAS> (355)
1612888-66-0

>  <URL> (355)
http://www.selleckchem.com/products/alofanib-rpt835.html

$$$$

csChFnd80/04092414132D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    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  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 13 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  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 23  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (356)
4161

>  <Formula> (356)
C24H21BrFN5O2

>  <MolWeight> (356)
510.3582432

>  <Cat> (356)
S8757

>  <Name> (356)
Ripretinib (DCC-2618)

>  <Synonyms> (356)
N/A

>  <Target> (356)
c-Kit,PDGFR

>  <Form> (356)
Free Base

>  <CAS> (356)
1442472-39-0

>  <URL> (356)
http://www.selleckchem.com/products/ripretinib-dcc-2618.html

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/04092414132D

 46 50  0  0  0  0  0  0  0  0999 V2000
   12.1266    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1266    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3438    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5545    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5545    3.5018    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3438    4.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159    4.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4879    4.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4879    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159    5.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3438    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7717    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9824    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7912    5.0576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9824    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1996    4.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.9156    6.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2736    8.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2695    7.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6113    6.4961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8759    6.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8776    8.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6654    9.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9351    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2107    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0856    9.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0856   10.4715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2982    8.3714    0.0000 O   0  0  0  0  0  0  0  0  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
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 10  2  1  0  0  0  0
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 13  9  1  0  0  0  0
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 44 45  2  0  0  0  0
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M  END
>  <Mol_ID> (357)
4179

>  <Formula> (357)
C38H46O8

>  <MolWeight> (357)
630.76704

>  <Cat> (357)
S9031

>  <Name> (357)
Gambogenic acid

>  <Target> (357)
EZH1/2,FGFR

>  <Form> (357)
free base

>  <CAS> (357)
173932-75-7

>  <URL> (357)
https://www.selleckchem.com/products/gambogenic-acid.html

$$$$
S9052 Auraptene.cdx
csChFnd80/04092414132D

 22 23  0  0  0  0  0  0  0  0999 V2000
   13.3382    2.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3382    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1251    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5513    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1251    0.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5513    0.0015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7644    2.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7643    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9767    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (358)
4189

>  <Formula> (358)
C19H22O3

>  <MolWeight> (358)
298.37618

>  <Cat> (358)
S9052

>  <Name> (358)
Auraptene

>  <Synonyms> (358)
7-geranyloxycoumarin

>  <Target> (358)
Immunology & Inflammation related,Interleukins,MMP

>  <Form> (358)
free base

>  <CAS> (358)
495-02-3

>  <URL> (358)
https://www.selleckchem.com/products/auraptene.html

$$$$
S9053 Irisflorentin.cdx
csChFnd80/04092414132D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.5671    4.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3479    4.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5671    6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7554    4.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440    4.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3479    2.8107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3479    7.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7760    7.0163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9954    4.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7554    2.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440    6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8112    4.4691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9954    6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1836    4.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8112    6.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4029    4.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1836    2.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6016    4.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3926    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6016    2.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8002    4.8825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3926    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8002    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0195    4.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8002    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 22  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (359)
4190

>  <Formula> (359)
C20H18O8

>  <MolWeight> (359)
386.35212

>  <Cat> (359)
S9053

>  <Name> (359)
Irisflorentin

>  <Synonyms> (359)
FI73921

>  <Target> (359)
Immunology & Inflammation related

>  <Form> (359)
free base

>  <CAS> (359)
41743-73-1

>  <URL> (359)
https://www.selleckchem.com/products/irisflorentin.html

$$$$
S9054 Pectolinarin.cdx
csChFnd80/04092414132D

 44 48  0  0  0  0  0  0  0  0999 V2000
   12.1086    9.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1086    8.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964    7.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    8.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4665    7.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2508    8.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2508    9.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4703   10.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6899    9.7823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951   10.4782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964    6.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0478   10.4769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8447    8.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8447    9.7824    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6166   10.4914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4087    9.7940    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4087    8.3907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6388    7.6805    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6388    6.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    5.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6337    3.4963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1990    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2091    3.5020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2091    2.0903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4371    1.3813    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6713    2.0939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8640    1.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4371    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0108    1.3984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    7.6951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019   10.4908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166   11.8918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3192   10.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3192   11.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5352   12.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7437   11.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7437   10.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5470    9.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9773   12.5686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1610   11.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0462    7.6793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4665    6.2778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0462    6.2812    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  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
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  3 11  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  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
 19 20  1  0  0  0  0
 18 19  1  6  0  0  0
 17 31  1  1  0  0  0
 16 32  1  6  0  0  0
 15 33  1  1  0  0  0
 14 12  1  6  0  0  0
  7 12  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 34 39  2  0  0  0  0
 40 41  1  0  0  0  0
 37 40  1  0  0  0  0
  1 34  1  0  0  0  0
  6 42  1  0  0  0  0
  5 43  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (360)
4191

>  <Formula> (360)
C29H34O15

>  <MolWeight> (360)
622.57126

>  <Cat> (360)
S9054

>  <Name> (360)
Pectolinarin

>  <Synonyms> (360)
7-[[6-O-(6-Deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5-hydroxy-6-methoxy-1-(4-methoxyphenyl)-4H-1-benzopyran-4-one

>  <Target> (360)
Akt,Apoptosis related,Immunology & Inflammation related,Interleukins,PGES,PI3K

>  <Form> (360)
free base

>  <CAS> (360)
28978-02-1

>  <URL> (360)
https://www.selleckchem.com/products/pectolinarin.html

$$$$
S9062 4-Hydroxyisoleucine.cdx
csChFnd80/04092414132D

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  3  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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  0  0  0
  1  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
  4  7  1  6  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
>  <Mol_ID> (361)
4199

>  <Formula> (361)
C6H13NO3

>  <MolWeight> (361)
147.17232

>  <Cat> (361)
S9062

>  <Name> (361)
4-Hydroxyisoleucine

>  <Synonyms> (361)
(2S, 3R)-2-Amino-4-hydroxy-3-methylpentanoic acid

>  <Target> (361)
Others

>  <Form> (361)
free base

>  <CAS> (361)
781658-23-9

>  <URL> (361)
https://www.selleckchem.com/products/4-hydroxyisoleucine.html

$$$$
S9075 Mulberroside A.cdx
csChFnd80/04092414132D

 40 43  0  0  0  0  0  0  0  0999 V2000
    6.0621    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  6  0  0  0
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  1 13  1  0  0  0  0
M  END
>  <Mol_ID> (362)
4211

>  <Formula> (362)
C26H32O14

>  <MolWeight> (362)
568.52388

>  <Cat> (362)
S9075

>  <Name> (362)
Mulberroside A

>  <Synonyms> (362)
FM74212

>  <Target> (362)
Caspase,ERK,Interleukins,JNK,NF-¦ÊB,p38 MAPK,TNF-alpha

>  <Form> (362)
free base

>  <CAS> (362)
102841-42-9

>  <URL> (362)
https://www.selleckchem.com/products/mulberroside-a.html

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/04092414132D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  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
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  8 13  1  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 24 23  1  0  0  0  0
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 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (363)
4216

>  <Formula> (363)
C21H20O6

>  <MolWeight> (363)
368.3799

>  <Cat> (363)
S9080

>  <Name> (363)
Anhydroicaritin

>  <Synonyms> (363)
Cycloicaritin

>  <Target> (363)
Others

>  <Form> (363)
free base

>  <CAS> (363)
118525-40-9

>  <URL> (363)
https://www.selleckchem.com/products/anhydroicaritin.html

$$$$
S9081 Anemoside B4.cdx
csChFnd80/04092414132D

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    8.5270   14.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5270   13.3578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 84 87  1  6  0  0  0
M  END
>  <Mol_ID> (364)
4217

>  <Formula> (364)
C59H96O26

>  <MolWeight> (364)
1221.37794

>  <Cat> (364)
S9081

>  <Name> (364)
Anemoside B4

>  <Synonyms> (364)
Pulchinenoside B4, Chinensioside A, Pulchinenoside C, Pulsatilla saponin B4

>  <Target> (364)
Others

>  <CAS> (364)
129741-57-7

>  <URL> (364)
https://www.selleckchem.com/products/anemoside-b4.html

$$$$
S9090 Corilagin.cdx
csChFnd80/04092414132D

 45 49  0  0  0  0  0  0  0  0999 V2000
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 17 24  1  0  0  0  0
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 23 27  1  0  0  0  0
 23 28  1  0  0  0  0
 29 26  1  1  0  0  0
 27 30  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  1  0  0  0
 30 33  1  0  0  0  0
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M  END
>  <Mol_ID> (365)
4226

>  <Formula> (365)
C27H22O18

>  <MolWeight> (365)
634.45278

>  <Cat> (365)
S9090

>  <Name> (365)
Corilagin

>  <Target> (365)
Immunology & Inflammation related,TNF-alpha

>  <Form> (365)
free base

>  <CAS> (365)
23094-69-1

>  <URL> (365)
https://www.selleckchem.com/products/corilagin.html

$$$$
S9092 Norisoboldine.cdx
csChFnd80/04092414132D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.8494    2.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    3.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8317    1.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2564    1.3999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0882    4.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4952    3.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3093    5.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0352    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5128    4.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6106    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  1  2  0  0  0  0
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  3  2  1  0  0  0  0
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 10  4  1  0  0  0  0
 12  4  1  0  0  0  0
 14  5  1  0  0  0  0
  5 24  1  6  0  0  0
 10  5  1  0  0  0  0
  9  6  1  0  0  0  0
 16  6  1  0  0  0  0
 21  7  1  0  0  0  0
 11  7  1  0  0  0  0
 13  8  2  0  0  0  0
 11  9  2  0  0  0  0
 17  9  1  0  0  0  0
 15 12  2  0  0  0  0
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 20 13  1  0  0  0  0
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M  END
>  <Mol_ID> (366)
4228

>  <Formula> (366)
C18H19NO4

>  <MolWeight> (366)
313.34776

>  <Cat> (366)
S9092

>  <Name> (366)
Norisoboldine

>  <Synonyms> (366)
Laurelliptine

>  <Target> (366)
AhR

>  <Form> (366)
free base

>  <CAS> (366)
23599-69-1

>  <URL> (366)
https://www.selleckchem.com/products/norisoboldine.html

$$$$
S9106 Eleutheroside E.cdx
csChFnd80/04092414132D

 54 59  0  0  0  0  0  0  0  0999 V2000
    8.5256    9.6774    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (367)
4239

>  <Formula> (367)
C34H46O18

>  <MolWeight> (367)
742.71824

>  <Cat> (367)
S9106

>  <Name> (367)
Eleutheroside E

>  <Target> (367)
Immunology & Inflammation related,NF-¦ÊB

>  <Form> (367)
free base

>  <CAS> (367)
39432-56-9

>  <URL> (367)
https://www.selleckchem.com/products/eleutheroside-e.html

$$$$
S9129 20(S)-Ginsenoside Rh1.cdx
csChFnd80/04092414132D

 49 53  0  0  0  0  0  0  0  0999 V2000
    6.0723    8.3224    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8676    9.0354    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2977    9.0354    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0723    6.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6351    8.3224    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8676   10.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2977   10.4339    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6339    8.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2977    7.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8676    6.2174    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6351    6.9168    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4096    9.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6351    9.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723   11.1472    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6550   10.8981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4510    9.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8676    4.8257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4096    6.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1842    8.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723   12.5182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0217   12.2343    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9546    4.2372    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1842    6.9168    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5096    4.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2475    4.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3443   12.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4432   12.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6894   13.8058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9546    2.8041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2217    4.9089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    6.2383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3118   11.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1385    2.0495    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4610    4.1888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2217    6.2383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6468   11.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4471    2.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1385    0.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5065    4.9437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6964   10.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6102    2.1255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3639    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9960   11.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4325    9.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723    9.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    7.7892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2977   11.8672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629    5.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6550    9.5340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 45  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 46  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  6  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  1  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 14  1  0  0  0  0
  7 47  1  1  0  0  0
  8 16  1  0  0  0  0
 10 17  1  6  0  0  0
 10 11  1  0  0  0  0
 11 18  1  0  0  0  0
 11 48  1  6  0  0  0
 12 19  1  0  0  0  0
 14 20  1  1  0  0  0
 15 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 49  1  6  0  0  0
 22 17  1  1  0  0  0
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 23  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  1  0  0  0
 22 29  1  0  0  0  0
 22 30  1  0  0  0  0
 23 31  1  1  0  0  0
 26 32  1  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  0  0  0  0
 30 35  1  6  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 33 38  1  1  0  0  0
 34 39  1  1  0  0  0
 34 37  1  0  0  0  0
 36 40  2  0  0  0  0
 37 41  1  6  0  0  0
 38 42  1  0  0  0  0
 40 43  1  0  0  0  0
 40 44  1  0  0  0  0
M  END
>  <Mol_ID> (368)
4258

>  <Formula> (368)
C36H62O9

>  <MolWeight> (368)
638.87208

>  <Cat> (368)
S9129

>  <Name> (368)
20(S)-Ginsenoside Rh1

>  <Synonyms> (368)
Prosapogenin A2, Sanchinoside B2, Sanchinoside Rh1

>  <Target> (368)
Immunology & Inflammation related,Interleukins,PPAR,TNF-alpha

>  <Form> (368)
free base

>  <CAS> (368)
63223-86-9

>  <URL> (368)
https://www.selleckchem.com/products/20-s-ginsenoside-rh1.html

$$$$
S9136 Neochlorogenic acid.cdx
csChFnd80/04092414132D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2119    5.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1913    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4202    3.4991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6279    4.1913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6284    5.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209    6.3081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5172    7.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3251    7.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7028    7.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8515    8.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4202    2.0991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8404    3.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0521    4.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2649    3.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0521    5.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4771    4.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6896    3.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8972    4.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1052    3.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1115    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8992    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6797    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8992    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3239    1.4037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  6  0  0  0
  3  4  1  0  0  0  0
  3 11  1  1  0  0  0
  4 13  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  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
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (369)
4264

>  <Formula> (369)
C16H18O9

>  <MolWeight> (369)
354.30872

>  <Cat> (369)
S9136

>  <Name> (369)
Neochlorogenic acid

>  <Synonyms> (369)
Neochlorogenate, 5-O-Caffeoylquinic acid

>  <Target> (369)
Antiviral,Bacterial,Immunology & Inflammation related

>  <Form> (369)
free base

>  <CAS> (369)
906-33-2

>  <URL> (369)
https://www.selleckchem.com/products/neochlorogenic-acid.html

$$$$
S9184 Forsythoside B.cdx
csChFnd80/04092414132D

 53 57  0  0  0  0  0  0  0  0999 V2000
    9.6983    7.7016    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6983    6.3013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9107    5.6012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1229    6.3013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1229    7.7016    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9107    8.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3352    8.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5476    7.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7597    8.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9721    7.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9721    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1908    5.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4032    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4032    7.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1908    8.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6155    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6155    8.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107    4.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    8.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3352    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6983    3.5007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4860    4.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2738    3.5007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2738    2.1004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4860    1.4003    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6983    2.1004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2738    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    5.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8491    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    5.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    9.8021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2738    7.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    5.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107    1.4003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    1.4003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6983   10.5022    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9754    9.9319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9155   10.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153   12.1814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8474   11.8962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5702   12.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153   13.5817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8102   12.8297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7825   11.8442    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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  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
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
  5  7  1  1  0  0  0
  3 18  1  1  0  0  0
  1 19  1  1  0  0  0
  4 20  1  6  0  0  0
  2 21  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 28 21  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 19 32  1  0  0  0  0
 28 33  2  0  0  0  0
 31 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 31  1  0  0  0  0
 36 39  1  0  0  0  0
 35 40  1  0  0  0  0
 22 18  1  1  0  0  0
 27 42  1  6  0  0  0
 25 43  1  1  0  0  0
 26 41  1  6  0  0  0
 24 44  1  6  0  0  0
 45 32  1  1  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 45  1  0  0  0  0
 48 50  1  1  0  0  0
 48 51  1  6  0  0  0
 49 52  1  6  0  0  0
 50 53  1  0  0  0  0
M  END
>  <Mol_ID> (370)
4301

>  <Formula> (370)
C34H44O19

>  <MolWeight> (370)
756.70176

>  <Cat> (370)
S9184

>  <Name> (370)
Forsythoside B

>  <Target> (370)
Immunology & Inflammation related,Interleukins,I¦ÊB/IKK,NF-¦ÊB,TNF-alpha

>  <Form> (370)
free base

>  <CAS> (370)
81525-13-5

>  <URL> (370)
https://www.selleckchem.com/products/forsythoside-b.html

$$$$
S9185 Nitidine Chloride.cdx
csChFnd80/04092414132D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.0570    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8340    2.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2956    2.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0570    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2956    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4927    2.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8340    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3984    2.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7209    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9440    2.1182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1857    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8534    2.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9440    4.8452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9440    0.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8273    0.2861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1149    4.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0787    6.1886    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
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  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 12  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
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 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (371)
4302

>  <Formula> (371)
C21H18ClNO4

>  <MolWeight> (371)
383.82492

>  <Cat> (371)
S9185

>  <Name> (371)
Nitidine Chloride

>  <Target> (371)
Anti-infection

>  <Form> (371)
free base

>  <CAS> (371)
13063-04-2

>  <URL> (371)
https://www.selleckchem.com/products/nitidine-chloride.html

$$$$
S9194 Toddalolactone.cdx
csChFnd80/04092414132D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.0668    2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8490    4.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8567    2.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6412    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4241    4.8939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    2.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6032    1.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9133    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6454    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
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  2 21  1  0  0  0  0
  3  6  1  0  0  0  0
  5  4  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (372)
4308

>  <Formula> (372)
C16H20O6

>  <MolWeight> (372)
308.3264

>  <Cat> (372)
S9194

>  <Name> (372)
Toddalolactone

>  <Target> (372)
PAI-1

>  <Form> (372)
Toddalolactone

>  <CAS> (372)
483-90-9

>  <URL> (372)
https://www.selleckchem.com/products/toddalolactone.html

$$$$

csChFnd80/04092414132D

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.0018    8.6912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7019    7.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6638    6.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0942    7.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9171    8.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  4  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
  2 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 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
 18 23  1  0  0  0  0
 27 28  1  0  0  0  0
 16 27  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (373)
4327

>  <Formula> (373)
C20H20N4O3S

>  <MolWeight> (373)
396.4628

>  <Cat> (373)
S2039

>  <Name> (373)
IRAK inhibitor 6

>  <Synonyms> (373)
N/A

>  <Target> (373)
IRAK

>  <Form> (373)
Free Base

>  <CAS> (373)
1042672-97-8

>  <URL> (373)
http://www.selleck.cn/products/irak-inhibitor-6.html

$$$$
S9236 ¦Á-Cyperone.cdx
csChFnd80/04092414132D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6569    2.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4396    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6569    3.4920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8731    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0898    2.1060    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3023    1.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4406    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8731    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    3.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0895    3.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3023    0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4396    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6569    4.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5152    2.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
 14  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
  3 15  1  1  0  0  0
  6  4  1  0  0  0  0
 11  5  2  0  0  0  0
 10  5  1  0  0  0  0
  6  7  1  1  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 16  7  1  0  0  0  0
 10  8  1  0  0  0  0
 12  9  1  0  0  0  0
M  END
>  <Mol_ID> (374)
4337

>  <Formula> (374)
C15H22O

>  <MolWeight> (374)
218.33458

>  <Cat> (374)
S9236

>  <Name> (374)
¦Á-Cyperone

>  <Target> (374)
COX,Interleukins

>  <Form> (374)
free base

>  <CAS> (374)
473-08-5

>  <URL> (374)
https://www.selleckchem.com/products/alpha-cyperone.html

$$$$
S9240 Isofraxidin.cdx
csChFnd80/04092414132D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
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 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (375)
4340

>  <Formula> (375)
C11H10O5

>  <MolWeight> (375)
222.1941

>  <Cat> (375)
S9240

>  <Name> (375)
Isofraxidin

>  <Synonyms> (375)
6,8-Dimethoxyumbelliferone

>  <Target> (375)
Immunology & Inflammation related

>  <Form> (375)
free base

>  <CAS> (375)
486-21-5

>  <URL> (375)
https://www.selleckchem.com/products/isofraxidin.html

$$$$
S9275 Isoguanosine.cdx
csChFnd80/04092414132D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6385    5.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9701    5.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6385    7.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.9603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4023    3.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7930    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9710    7.4936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    7.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5757    2.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7082    3.4744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2112    7.0626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    9.1629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9731    0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8562    1.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  1  0  0  0
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  5 11  1  0  0  0  0
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M  END
>  <Mol_ID> (376)
4365

>  <Formula> (376)
C10H13N5O5

>  <MolWeight> (376)
283.24072

>  <Cat> (376)
S9275

>  <Name> (376)
Isoguanosine

>  <Synonyms> (376)
Crotonoside

>  <Target> (376)
FLT3,HDAC

>  <Form> (376)
free base

>  <CAS> (376)
1818-71-9

>  <URL> (376)
https://www.selleckchem.com/products/isoguanosine.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (377)
4366

>  <Formula> (377)
C19H21N3O2S

>  <MolWeight> (377)
355.45394

>  <Cat> (377)
S2070

>  <Name> (377)
ISCK03

>  <Synonyms> (377)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (377)
c-Kit

>  <Form> (377)
Free Base

>  <CAS> (377)
945526-43-2

>  <URL> (377)
http://www.selleck.cn/products/isck03.html

$$$$
S9288 Casticin.cdx
csChFnd80/04092414132D

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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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M  END
>  <Mol_ID> (378)
4378

>  <Formula> (378)
C19H18O8

>  <MolWeight> (378)
374.34142

>  <Cat> (378)
S9288

>  <Name> (378)
Casticin

>  <Synonyms> (378)
Vitexicarpin

>  <Target> (378)
Immunology & Inflammation related

>  <Form> (378)
free base

>  <CAS> (378)
479-91-4

>  <URL> (378)
https://www.selleckchem.com/products/casticin.html

$$$$
S9313 Atractylenolide III.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (379)
4396

>  <Formula> (379)
C15H20O3

>  <MolWeight> (379)
248.3175

>  <Cat> (379)
S9313

>  <Name> (379)
Atractylenolide III

>  <Target> (379)
Immunology & Inflammation related

>  <Form> (379)
free base

>  <CAS> (379)
73030-71-4

>  <URL> (379)
https://www.selleckchem.com/products/atractylenolide-iii.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (380)
4513

>  <Formula> (380)
C16H14N2O2

>  <MolWeight> (380)
266.29456

>  <Cat> (380)
S2115

>  <Name> (380)
RG 13022

>  <Synonyms> (380)
Tyrphostin RG13022

>  <Target> (380)
EGFR

>  <Form> (380)
Free Base

>  <CAS> (380)
136831-48-6

>  <URL> (380)
http://www.selleck.cn/products/rg-13022.html

$$$$
S5667 Fruquintinib.cdx
csChFnd80/04092414132D

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M  END
>  <Mol_ID> (381)
4575

>  <Formula> (381)
C21H19N3O5

>  <MolWeight> (381)
393.39266

>  <Cat> (381)
S5667

>  <Name> (381)
Fruquintinib (HMPL-013)

>  <Target> (381)
VEGFR

>  <CAS> (381)
1194506-26-7

>  <URL> (381)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (382)
4580

>  <Formula> (382)
C30H34N4O2

>  <MolWeight> (382)
482.61656

>  <Cat> (382)
S2762

>  <Name> (382)
Alectinib (CH5424802)

>  <Synonyms> (382)
AF-802, RG-7853,CH5424802

>  <Target> (382)
ALK

>  <Form> (382)
Free Base

>  <CAS> (382)
1256580-46-7

>  <URL> (382)
http://www.selleckchem.com/products/ch5424802.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (383)
4610

>  <Formula> (383)
C29H37N7O5S

>  <MolWeight> (383)
595.71298

>  <Cat> (383)
S5078

>  <Name> (383)
Osimertinib mesylate

>  <Synonyms> (383)
AZD9291 mesylate

>  <Target> (383)
EGFR

>  <Form> (383)
mesylate

>  <CAS> (383)
1421373-66-1

>  <URL> (383)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (384)
4631

>  <Formula> (384)
C16H21Cl2N3

>  <MolWeight> (384)
326.26404

>  <Cat> (384)
S5670

>  <Name> (384)
Chloropyramine hydrochloride

>  <Synonyms> (384)
Halopyramine hydrochloride

>  <Target> (384)
Histamine Receptor

>  <Form> (384)
hydrochloride

>  <CAS> (384)
6170-42-9

>  <URL> (384)
http://www.selleckchem.com/products/chloropyramine-hydrochloride.html

$$$$

csChFnd80/04092414132D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (385)
4685

>  <Formula> (385)
C22H21N3O2

>  <MolWeight> (385)
359.42104

>  <Cat> (385)
S5764

>  <Name> (385)
YM 90709

>  <Synonyms> (385)
N/A

>  <Target> (385)
IL Receptor,Interleukins

>  <Form> (385)
Free Base

>  <CAS> (385)
163769-88-8

>  <URL> (385)
http://www.selleckchem.com/products/ym-90709.html

$$$$

csChFnd80/04092414132D

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 14  4  1  0  0  0  0
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 13  5  1  0  0  0  0
  6 11  2  0  0  0  0
  8  6  1  0  0  0  0
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 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (386)
4706

>  <Formula> (386)
C22H23N5O

>  <MolWeight> (386)
373.45092

>  <Cat> (386)
S5793

>  <Name> (386)
Motesanib (AMG-706)

>  <Synonyms> (386)
N/A

>  <Target> (386)
VEGFR

>  <Form> (386)
Free Base

>  <CAS> (386)
453562-69-1

>  <URL> (386)
http://www.selleckchem.com/products/motesanib-amg-706.html

$$$$

csChFnd80/04092414132D

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 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
 24 31  1  0  0  0  0
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 32 24  1  0  0  0  0
M  END
>  <Mol_ID> (387)
4739

>  <Formula> (387)
C24H29N5O3

>  <MolWeight> (387)
435.51876

>  <Cat> (387)
S8772

>  <Name> (387)
LY 3200882

>  <Synonyms> (387)
N/A

>  <Target> (387)
TGF-beta/Smad

>  <Form> (387)
Free Base

>  <CAS> (387)
1898283-02-7

>  <URL> (387)
http://www.selleckchem.com/products/ly3200882.html

$$$$

csChFnd80/04092414132D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
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  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
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  9 10  2  0  0  0  0
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 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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M  END
>  <Mol_ID> (388)
4748

>  <Formula> (388)
C17H13ClN2O3

>  <MolWeight> (388)
328.74972

>  <Cat> (388)
S8813

>  <Name> (388)
LIT-927

>  <Synonyms> (388)
N/A

>  <Target> (388)
CXCR

>  <Form> (388)
Free Base

>  <CAS> (388)
2172879-52-4

>  <URL> (388)
http://www.selleckchem.com/products/lit-927.html

$$$$

csChFnd80/04092414132D

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  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
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  9 19  1  0  0  0  0
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 13  4  1  0  0  0  0
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 16  6  1  0  0  0  0
 17 13  1  0  0  0  0
 18  3  1  0  0  0  0
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 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  2  0  0  0  0
 23 16  1  0  0  0  0
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 25  5  1  0  0  0  0
  5 26  1  1  0  0  0
  2 27  1  1  0  0  0
  4 28  1  1  0  0  0
 12 29  1  1  0  0  0
 14 30  1  1  0  0  0
  3 31  1  6  0  0  0
 32 15  1  0  0  0  0
 17 33  1  6  0  0  0
 34 25  1  0  0  0  0
 16 35  1  1  0  0  0
 23 36  1  6  0  0  0
  2  9  1  0  0  0  0
 20 18  1  0  0  0  0
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 12  8  1  0  0  0  0
 14  5  1  0  0  0  0
  6 37  1  1  0  0  0
  2  3  1  0  0  0  0
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  3  1  1  0  0  0  0
  8 39  1  6  0  0  0
M  END
>  <Mol_ID> (389)
4788

>  <Formula> (389)
C30H48O6

>  <MolWeight> (389)
504.69852

>  <Cat> (389)
S9502

>  <Name> (389)
Madecassic acid

>  <Synonyms> (389)
Brahmic acid

>  <Target> (389)
COX,Immunology & Inflammation related,Interleukins,NF-¦ÊB,NOS,TNF-alpha

>  <Form> (389)
Free Base

>  <CAS> (389)
18449-41-7

>  <URL> (389)
http://www.selleckchem.com/products/madecassic-acid.html

$$$$

csChFnd80/04092414132D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    5.3886    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7202    1.7640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7202    3.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3886    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    1.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077    3.8692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4099    3.1673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4065    1.7661    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7424    1.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7422    3.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9559    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5629    4.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077    5.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9558    4.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580    0.3743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  1  0  0  0
  1  2  1  6  0  0  0
 12  1  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
 10  9  1  0  0  0  0
  9 16  1  6  0  0  0
 10 11  1  0  0  0  0
 13 10  1  0  0  0  0
 10 15  1  6  0  0  0
 11 12  1  0  0  0  0
 11 18  1  6  0  0  0
M  END
>  <Mol_ID> (390)
4798

>  <Formula> (390)
C15H22O2

>  <MolWeight> (390)
234.33398

>  <Cat> (390)
S9554

>  <Name> (390)
Bakkenolide A

>  <Synonyms> (390)
Fukinanolid

>  <Target> (390)
Others

>  <Form> (390)
Free Base

>  <CAS> (390)
19906-72-0

>  <URL> (390)
http://www.selleckchem.com/products/bakkenolide-a.html

$$$$

csChFnd80/04092414132D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    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
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  2  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (391)
4808

>  <Formula> (391)
C10H8O5

>  <MolWeight> (391)
208.16752

>  <Cat> (391)
S9503

>  <Name> (391)
Fraxetin

>  <Synonyms> (391)
7,8-dihydroxy-6-methoxy coumarin

>  <Target> (391)
Heme Oxygenase

>  <Form> (391)
free base

>  <CAS> (391)
574-84-5

>  <URL> (391)
https://www.selleckchem.com/products/fraxetin.html

$$$$

csChFnd80/04092414132D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  3  0  0  0  0
  2  4  1  0  0  0  0
M  END
>  <Mol_ID> (392)
4988

>  <Formula> (392)
CNNaS

>  <MolWeight> (392)
81.07217

>  <Cat> (392)
S6281

>  <Name> (392)
Sodium Thiocyanate

>  <Synonyms> (392)
Sodium rhodanide, Sodium sulfocyanate, Sodium rhodanate

>  <Target> (392)
Interleukins,ROS

>  <Form> (392)
free base

>  <CAS> (392)
540-72-7

>  <URL> (392)
http://www.selleck.cn/products/sodium-thiocyanate.html

$$$$

csChFnd80/04092414132D

 38 43  0  0  0  0  0  0  0  0999 V2000
    4.6406    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    8.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    6.0932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2199    7.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    8.3584    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    8.6258    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    8.4953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    6.5335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    4.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    3.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    4.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    5.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0777    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3839    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8165    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8798    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6199    7.2258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3199    6.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6199    4.8010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7199    6.0134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4199    4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8199    4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5199    3.5885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8199    2.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5199    1.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9199    1.1636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6199    2.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9199    3.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3207    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 18 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 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
>  <Mol_ID> (393)
5037

>  <Formula> (393)
C25H23FN8O2S2

>  <MolWeight> (393)
550.6309232

>  <Cat> (393)
S7564

>  <Name> (393)
SAR125844

>  <Synonyms> (393)
N/A

>  <Target> (393)
c-Met

>  <Form> (393)
free base

>  <CAS> (393)
1116743-46-4

>  <URL> (393)
http://www.selleck.cn/products/sar125844.html

$$$$

csChFnd80/04092414132D

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1204    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4898    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1898    3.7290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2531    4.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0593    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2364    0.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4516    1.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6 16  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 28  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (394)
5044

>  <Formula> (394)
C24H26FN7O3

>  <MolWeight> (394)
479.5067432

>  <Cat> (394)
S8780

>  <Name> (394)
AZD3229

>  <Synonyms> (394)
N/A

>  <Target> (394)
c-Kit,PDGFR

>  <Form> (394)
free base

>  <CAS> (394)
2248003-60-1

>  <URL> (394)
http://www.selleck.cn/products/azd3229.html

$$$$

csChFnd80/04092414132D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2124    9.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.6436    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.6436    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.4436    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2922    5.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    4.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    4.2892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    5.6207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9294    5.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (395)
5045

>  <Formula> (395)
C20H18F2N6O

>  <MolWeight> (395)
396.3933264

>  <Cat> (395)
S8787

>  <Name> (395)
GSK'547

>  <Synonyms> (395)
N/A

>  <Target> (395)
RIP kinase

>  <Form> (395)
free base

>  <CAS> (395)
2226735-55-1

>  <URL> (395)
http://www.selleck.cn/products/gsk547.html

$$$$

csChFnd80/04092414132D

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  1  8  1  0  0  0  0
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M  END
>  <Mol_ID> (396)
5098

>  <Formula> (396)
C26H31Cl2N7O3

>  <MolWeight> (396)
560.47544

>  <Cat> (396)
S2183

>  <Name> (396)
Infigratinib (BGJ398)

>  <Synonyms> (396)
NVP-BGJ398

>  <Target> (396)
FGFR

>  <Form> (396)
Free Base

>  <CAS> (396)
872511-34-7

>  <URL> (396)
http://www.selleck.cn/products/bgj398-nvp-bgj398.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (397)
5100

>  <Formula> (397)
C30H35N7O2

>  <MolWeight> (397)
525.6446

>  <Cat> (397)
S8817

>  <Name> (397)
Almonertinib (HS-10296)

>  <Synonyms> (397)
Aumolertinib, Ameile

>  <Target> (397)
EGFR

>  <Form> (397)
Free Base

>  <CAS> (397)
1899921-05-1

>  <URL> (397)
http://www.selleck.cn/products/hs-10296.html

$$$$

csChFnd80/04092414132D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (398)
5101

>  <Formula> (398)
C22H21F4N3O4

>  <MolWeight> (398)
467.4134528

>  <Cat> (398)
S8821

>  <Name> (398)
GSK3179106

>  <Synonyms> (398)
N/A

>  <Target> (398)
c-RET

>  <Form> (398)
Free Base

>  <CAS> (398)
1627856-64-7

>  <URL> (398)
http://www.selleck.cn/products/gsk3179106.html

$$$$

csChFnd80/04092414132D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (399)
5135

>  <Formula> (399)
C14H12O5

>  <MolWeight> (399)
260.24208

>  <Cat> (399)
S5887

>  <Name> (399)
Khellin

>  <Synonyms> (399)
Amicardine, Corafurone, Methafrone

>  <Target> (399)
Anti-infection

>  <Form> (399)
Free Base

>  <CAS> (399)
82-02-0

>  <URL> (399)
http://www.selleck.cn/products/khellin.html

$$$$

csChFnd80/04092414132D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
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 13  8  2  0  0  0  0
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 18 12  1  0  0  0  0
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M  END
>  <Mol_ID> (400)
5157

>  <Formula> (400)
C23H26N6O2

>  <MolWeight> (400)
418.49154

>  <Cat> (400)
S6414

>  <Name> (400)
Apilimod (STA-5326)

>  <Synonyms> (400)
STA-5326

>  <Target> (400)
Interleukins,PIKfyve

>  <Form> (400)
Free Base

>  <CAS> (400)
541550-19-0

>  <URL> (400)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (401)
5219

>  <Formula> (401)
C29H39ClN7O2P

>  <MolWeight> (401)
584.092421

>  <Cat> (401)
S8229

>  <Name> (401)
Brigatinib (AP26113)

>  <Synonyms> (401)
N/A

>  <Target> (401)
ALK,EGFR,FLT3,IGF-1R,ROS1

>  <Form> (401)
Free Base

>  <CAS> (401)
1197953-54-0

>  <URL> (401)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

csChFnd80/04092414132D

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>  <Mol_ID> (402)
5227

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C32H31N3O5S

>  <MolWeight> (402)
569.67064

>  <Cat> (402)
S8788

>  <Name> (402)
CH7057288

>  <Synonyms> (402)
N/A

>  <Target> (402)
Trk receptor

>  <Form> (402)
Free Base

>  <CAS> (402)
2095616-82-1

>  <URL> (402)
http://www.selleck.cn/products/ch7057288.html

$$$$

csChFnd80/04092414132D

 37 41  0  0  0  0  0  0  0  0999 V2000
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   18.6490    1.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1276    3.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5062    3.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8275    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.2276    4.2893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3998    2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 11  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 36 34  1  0  0  0  0
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M  END
>  <Mol_ID> (403)
6474

>  <Formula> (403)
C26H21F3N4O4

>  <MolWeight> (403)
510.4645496

>  <Cat> (403)
S6412

>  <Name> (403)
Altiratinib

>  <Synonyms> (403)
DCC-2701

>  <Target> (403)
c-Met,Tie-2,Trk receptor,VEGFR

>  <Form> (403)
free base

>  <CAS> (403)
1345847-93-9

>  <URL> (403)
http://www.selleck.cn/products/altiratinib.html

$$$$

csChFnd80/04092414132D

 14 14  0  0  0  0  0  0  0  0999 V2000
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
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M  END
>  <Mol_ID> (404)
6480

>  <Formula> (404)
C9H5ClN4

>  <MolWeight> (404)
204.6158

>  <Cat> (404)
S6494

>  <Name> (404)
CCCP

>  <Synonyms> (404)
Carbonyl cyanide m-chlorophenyl hydrazone, Carbonyl cyanide 3-chlorophenylhydrazone

>  <Target> (404)
IFN,STING

>  <Form> (404)
free base

>  <CAS> (404)
555-60-2

>  <URL> (404)
http://www.selleck.cn/products/cccp.html

$$$$

csChFnd80/04092414132D

 37 40  0  0  0  0  0  0  0  0999 V2000
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   10.9116    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1240    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  1  7  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
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 10 15  2  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
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 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 16 18  1  0  0  0  0
 13 16  1  0  0  0  0
  9 10  1  0  0  0  0
 26 27  1  6  0  0  0
 25 26  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
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 31 32  2  0  0  0  0
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 29 36  1  0  0  0  0
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M  END
>  <Mol_ID> (405)
6489

>  <Formula> (405)
C25H25Cl2FN6O3

>  <MolWeight> (405)
547.4088032

>  <Cat> (405)
S6505

>  <Name> (405)
X-376

>  <Synonyms> (405)
N/A

>  <Target> (405)
ALK

>  <Form> (405)
free base

>  <CAS> (405)
1365267-27-1

>  <URL> (405)
http://www.selleck.cn/products/x-376.html

$$$$

csChFnd80/04092414132D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (406)
6493

>  <Formula> (406)
C16H12N2O3

>  <MolWeight> (406)
280.27808

>  <Cat> (406)
S6509

>  <Name> (406)
AG 494

>  <Synonyms> (406)
N/A

>  <Target> (406)
EGFR

>  <Form> (406)
free base

>  <CAS> (406)
133550-35-3

>  <URL> (406)
http://www.selleck.cn/products/ag-494.html

$$$$

csChFnd80/04092414132D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
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C13H19NO2

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N/A

>  <Target> (407)
RIP kinase

>  <Form> (407)
free base

>  <CAS> (407)
1956370-21-0

>  <URL> (407)
http://www.selleck.cn/products/ripa-56.html

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6497

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C29H34ClN7O

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N/A

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ALK

>  <Form> (408)
free base

>  <CAS> (408)
1356962-34-9

>  <URL> (408)
http://www.selleck.cn/products/hg-14-10-04.html

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>  <Mol_ID> (409)
6501

>  <Formula> (409)
C16H15N3O3

>  <MolWeight> (409)
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>  <Cat> (409)
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>  <Name> (409)
WHI-P180

>  <Synonyms> (409)
N/A

>  <Target> (409)
c-RET,VEGFR

>  <Form> (409)
free base

>  <CAS> (409)
211555-08-7

>  <URL> (409)
http://www.selleck.cn/products/whi-p180.html

$$$$

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6504

>  <Formula> (410)
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>  <MolWeight> (410)
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>  <Cat> (410)
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>  <Synonyms> (410)
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>  <Target> (410)
BCRP,EGFR

>  <Form> (410)
free base

>  <CAS> (410)
136831-49-7

>  <URL> (410)
http://www.selleck.cn/products/rg14620.html

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>  <MolWeight> (411)
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>  <Name> (411)
AG 555

>  <Synonyms> (411)
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>  <Target> (411)
EGFR

>  <Form> (411)
free base

>  <CAS> (411)
133550-34-2

>  <URL> (411)
http://www.selleck.cn/products/ag555.html

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>  <Formula> (412)
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free base

>  <CAS> (412)
1952236-05-3

>  <URL> (412)
http://www.selleck.cn/products/mtx-211.html

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>  <Mol_ID> (413)
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>  <Formula> (413)
C19H16BrFN6O2

>  <MolWeight> (413)
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>  <Cat> (413)
S6543

>  <Name> (413)
ZD-4190

>  <Synonyms> (413)
N/A

>  <Target> (413)
VEGFR

>  <Form> (413)
free base

>  <CAS> (413)
413599-62-9

>  <URL> (413)
http://www.selleck.cn/products/zd-4190.html

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6520

>  <Formula> (414)
C11H9Cl2N3O3S

>  <MolWeight> (414)
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>  <Cat> (414)
S6555

>  <Name> (414)
AZD2098

>  <Synonyms> (414)
N/A

>  <Target> (414)
CCR

>  <Form> (414)
free base

>  <CAS> (414)
566203-88-1

>  <URL> (414)
http://www.selleck.cn/products/azd2098.html

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>  <Formula> (415)
C21H17N9O2S

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>  <Cat> (415)
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>  <Synonyms> (415)
N/A

>  <Target> (415)
c-Met,RON

>  <Form> (415)
free base

>  <CAS> (415)
1642581-63-2

>  <URL> (415)
http://www.selleck.cn/products/glumetinib.html

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>  <Target> (416)
c-Met

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943540-74-7

>  <URL> (416)
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   11.7081    2.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7702    3.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 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 22  1  0  0  0  0
 28 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
  8 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
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 33 37  1  6  0  0  0
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M  END
>  <Mol_ID> (417)
6567

>  <Formula> (417)
C26H29Cl4FN6O3

>  <MolWeight> (417)
634.3572632

>  <Cat> (417)
S2934

>  <Name> (417)
Ensartinib (X-396) dihydrochloride

>  <Synonyms> (417)
N/A

>  <Target> (417)
ALK

>  <Form> (417)
Dihydrochloride

>  <CAS> (417)
2137030-98-7

>  <URL> (417)
http://www.selleck.cn/products/ensartinib-dihydrochloride.html

$$$$

csChFnd80/04092414132D

 30 32  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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  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  3  7  1  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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 17 18  2  0  0  0  0
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 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 20 21  1  0  0  0  0
 27  1  1  0  0  0  0
 27 28  2  0  0  0  0
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M  END
>  <Mol_ID> (418)
6573

>  <Formula> (418)
C21H16F3N3O3

>  <MolWeight> (418)
415.3652496

>  <Cat> (418)
S6526

>  <Name> (418)
SKLB 610

>  <Synonyms> (418)
N/A

>  <Target> (418)
FGFR,PDGFR,VEGFR

>  <Form> (418)
Free Base

>  <CAS> (418)
1125780-41-7

>  <URL> (418)
http://www.selleck.cn/products/sklb610.html

$$$$

csChFnd80/04092414132D

 23 25  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
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  1 10  2  0  0  0  0
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  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
  8 13  1  0  0  0  0
 15 16  1  0  0  0  0
  7 15  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 23  1  0  0  0  0
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M  END
>  <Mol_ID> (419)
6574

>  <Formula> (419)
C17H16BrN3O2

>  <MolWeight> (419)
374.23184

>  <Cat> (419)
S6530

>  <Name> (419)
EBE-A22

>  <Synonyms> (419)
N/A

>  <Target> (419)
EGFR

>  <Form> (419)
Free Base

>  <CAS> (419)
229476-53-3

>  <URL> (419)
http://www.selleck.cn/products/ebe-a22.html

$$$$

csChFnd80/04092414132D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 10 25  1  0  0  0  0
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 24 26  1  0  0  0  0
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M  END
>  <Mol_ID> (420)
6577

>  <Formula> (420)
C18H19F2N5O4

>  <MolWeight> (420)
407.3713664

>  <Cat> (420)
S6539

>  <Name> (420)
ASP5878

>  <Synonyms> (420)
N/A

>  <Target> (420)
FGFR

>  <Form> (420)
Free Base

>  <CAS> (420)
1453208-66-6

>  <URL> (420)
http://www.selleck.cn/products/asp5878.html

$$$$

csChFnd80/04092414132D

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N/A

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EGFR

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Free Base

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153436-54-5

>  <URL> (421)
http://www.selleck.cn/products/pd153035.html

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>  <Formula> (422)
C15H11BrN2S

>  <MolWeight> (422)
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>  <Cat> (422)
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RCGD423

>  <Synonyms> (422)
N/A

>  <Target> (422)
Interleukins

>  <Form> (422)
Free Base

>  <CAS> (422)
108237-91-8

>  <URL> (422)
http://www.selleck.cn/products/rcgd423.html

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csChFnd80/04092414132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (423)
C16H16N6

>  <MolWeight> (423)
292.33844

>  <Cat> (423)
S6617

>  <Name> (423)
MSX-122

>  <Synonyms> (423)
Q-122

>  <Target> (423)
CXCR

>  <Form> (423)
Free Base

>  <CAS> (423)
897657-95-3

>  <URL> (423)
http://www.selleck.cn/products/msx-122.html

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csChFnd80/04092414132D

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>  <Mol_ID> (424)
6603

>  <Formula> (424)
C19H21ClFN3O4S

>  <MolWeight> (424)
441.9041432

>  <Cat> (424)
S6620

>  <Name> (424)
Danirixin (GSK1325756)

>  <Synonyms> (424)
N/A

>  <Target> (424)
CXCR,Interleukins

>  <Form> (424)
Free Base

>  <CAS> (424)
954126-98-8

>  <URL> (424)
http://www.selleck.cn/products/danirixin.html

$$$$

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>  <Mol_ID> (425)
6607

>  <Formula> (425)
C24H23N7O4

>  <MolWeight> (425)
473.48392

>  <Cat> (425)
S6625

>  <Name> (425)
Temsavir (BMS-626529)

>  <Synonyms> (425)
N/A

>  <Target> (425)
HIV Protease

>  <Form> (425)
Free Base

>  <CAS> (425)
701213-36-7

>  <URL> (425)
http://www.selleck.cn/products/temsavir-bms-626529.html

$$$$

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>  <Target> (426)
TNF-alpha

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Free Base

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303997-35-5

>  <URL> (426)
http://www.selleck.cn/products/r-7050.html

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csChFnd80/04092414132D

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6619

>  <Formula> (427)
C18H22F2N4O5S2

>  <MolWeight> (427)
476.5178864

>  <Cat> (427)
S6645

>  <Name> (427)
AZD5069

>  <Synonyms> (427)
N/A

>  <Target> (427)
CXCR

>  <Form> (427)
Free Base

>  <CAS> (427)
878385-84-3

>  <URL> (427)
http://www.selleck.cn/products/azd-5069.html

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>  <Mol_ID> (428)
6626

>  <Formula> (428)
C27H29NO3

>  <MolWeight> (428)
415.52406

>  <Cat> (428)
S6713

>  <Name> (428)
ITD-1

>  <Synonyms> (428)
N/A

>  <Target> (428)
TGF-beta/Smad

>  <Form> (428)
Free Base

>  <CAS> (428)
1099644-42-4

>  <URL> (428)
http://www.selleck.cn/products/itd-1.html

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>  <Mol_ID> (429)
6637

>  <Formula> (429)
C21H23ClFNO2

>  <MolWeight> (429)
375.8642232

>  <Cat> (429)
S6727

>  <Name> (429)
AX-024 HCl

>  <Synonyms> (429)
N/A

>  <Target> (429)
CD markers,IFN,Interleukins,TNF-alpha

>  <Form> (429)
Hydrochloride

>  <CAS> (429)
1704801-24-0

>  <URL> (429)
http://www.selleck.cn/products/ax-024-hcl.html

$$$$

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   14.2891    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5575    0.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    6.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8602    2.9183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
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 11 14  1  0  0  0  0
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 14 15  2  0  0  0  0
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 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 18 17  1  0  0  0  0
 21 22  1  0  0  0  0
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  4 10  1  0  0  0  0
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M  END
>  <Mol_ID> (430)
6664

>  <Formula> (430)
C21H23N3O5

>  <MolWeight> (430)
397.42442

>  <Cat> (430)
S8506

>  <Name> (430)
Navarixin (SCH-527123)

>  <Synonyms> (430)
MK-7123, PS-291822

>  <Target> (430)
CXCR

>  <Form> (430)
Free Base

>  <CAS> (430)
473727-83-2

>  <URL> (430)
http://www.selleck.cn/products/sch-527123.html

$$$$

csChFnd80/04092414132D

 39 44  0  0  0  0  0  0  0  0999 V2000
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    4.8498    9.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.7002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5995   15.1268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693   10.2119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.9001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2746    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 27  1  0  0  0  0
  2 24  1  0  0  0  0
  2 30  1  0  0  0  0
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  4 11  1  0  0  0  0
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  6 20  2  0  0  0  0
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  9 33  3  0  0  0  0
 10 12  1  0  0  0  0
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 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 18 21  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 25  2  0  0  0  0
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 25 28  1  0  0  0  0
 25 33  1  0  0  0  0
 29 30  1  0  0  0  0
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 29 32  1  0  0  0  0
  4 34  1  0  0  0  0
 34 35  1  0  0  0  0
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 38  4  1  0  0  0  0
 35 39  1  0  0  0  0
 39 37  1  0  0  0  0
 36 10  1  0  0  0  0
M  END
>  <Mol_ID> (431)
6666

>  <Formula> (431)
C29H31N7O3

>  <MolWeight> (431)
525.60154

>  <Cat> (431)
S8781

>  <Name> (431)
Selpercatinib (LOXO-292)

>  <Synonyms> (431)
ARRY-192

>  <Target> (431)
c-RET

>  <Form> (431)
Free Base

>  <CAS> (431)
2152628-33-4

>  <URL> (431)
http://www.selleck.cn/products/loxo-292.html

$$$$

csChFnd80/04092414132D

 30 34  0  0  0  0  0  0  0  0999 V2000
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    3.7634    4.1454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2880    1.4298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    3.8823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    5.9901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7152   10.0844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5904    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3293    2.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7238    2.7085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7721    6.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9850    5.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9188   11.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8927    2.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
 10  3  1  6  0  0  0
  3 23  1  0  0  0  0
  4 13  2  0  0  0  0
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  5 18  1  0  0  0  0
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  7 20  2  0  0  0  0
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  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 19 22  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 27  1  0  0  0  0
 24 26  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (432)
6667

>  <Formula> (432)
C23H20N6O

>  <MolWeight> (432)
396.4445

>  <Cat> (432)
S8814

>  <Name> (432)
zipalertinib

>  <Synonyms> (432)
CLN-081, TPC-064,TAS6417

>  <Target> (432)
EGFR

>  <Form> (432)
Free Base

>  <CAS> (432)
1661854-97-2

>  <URL> (432)
http://www.selleck.cn/products/tas6417.html

$$$$

csChFnd80/04092414132D

 31 34  0  0  0  0  0  0  0  0999 V2000
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    9.1602   12.5106    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
  6 10  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 11 21  3  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
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 26 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (433)
6673

>  <Formula> (433)
C22H22N6O3

>  <MolWeight> (433)
418.44848

>  <Cat> (433)
S8848

>  <Name> (433)
Futibatinib (TAS-120)

>  <Synonyms> (433)
N/A

>  <Target> (433)
FGFR

>  <Form> (433)
Free Base

>  <CAS> (433)
1448169-71-8

>  <URL> (433)
http://www.selleck.cn/products/tas-120.html

$$$$

csChFnd80/04092414132D

 39 43  0  0  0  0  0  0  0  0999 V2000
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1315355-93-1

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http://www.selleck.cn/products/ng25.html

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1303420-67-8

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http://www.selleck.cn/products/plx5622.html

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1472797-69-5

>  <URL> (436)
http://www.selleck.cn/products/ff-10101.html

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TGF-beta/Smad

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Free Base

>  <CAS> (437)
334951-90-5

>  <URL> (437)
http://www.selleck.cn/products/bibf-0775.html

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>  <Formula> (438)
C18H18N2O3

>  <MolWeight> (438)
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>  <Cat> (438)
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>  <Name> (438)
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>  <Synonyms> (438)
VEGFR2 Kinase Inhibitor I

>  <Target> (438)
VEGFR

>  <Form> (438)
Free Base

>  <CAS> (438)
15966-93-5

>  <URL> (438)
http://www.selleck.cn/products/su5408.html

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csChFnd80/04092414132D

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6710

>  <Formula> (439)
C20H31N3O

>  <MolWeight> (439)
329.47964

>  <Cat> (439)
S6654

>  <Name> (439)
SRI-011381

>  <Synonyms> (439)
N/A

>  <Target> (439)
TGF-beta/Smad

>  <Form> (439)
Free Base

>  <CAS> (439)
1629138-41-5

>  <URL> (439)
http://www.selleck.cn/products/sri-011381.html

$$$$

csChFnd80/04092414132D

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6716

>  <Formula> (440)
C26H30F3N7O2

>  <MolWeight> (440)
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>  <Cat> (440)
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>  <Synonyms> (440)
N/A

>  <Target> (440)
Bcr-Abl,c-Kit,c-RET,FLT3

>  <Form> (440)
Free Base

>  <CAS> (440)
630124-46-8

>  <URL> (440)
http://www.selleck.cn/products/ast-487.html

$$$$

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>  <Formula> (441)
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>  <Cat> (441)
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>  <Name> (441)
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>  <Synonyms> (441)
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>  <Target> (441)
FGFR,VEGFR

>  <Form> (441)
Free Base

>  <CAS> (441)
1430723-35-5

>  <URL> (441)
http://www.selleck.cn/products/odm-203.html

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   16.9736    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1240    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  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
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 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
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 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 12 16  1  0  0  0  0
  9 10  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
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 20 29  2  0  0  0  0
 24 29  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
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 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
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 32 35  1  0  0  0  0
 30 31  1  0  0  0  0
 21 30  1  0  0  0  0
  4 26  1  0  0  0  0
  5 39  1  0  0  0  0
M  END
>  <Mol_ID> (442)
6754

>  <Formula> (442)
C29H28F3N5O2

>  <MolWeight> (442)
535.5601296

>  <Cat> (442)
S2213

>  <Name> (442)
AMG-47a

>  <Synonyms> (442)
N/A

>  <Target> (442)
Src

>  <Form> (442)
Free Base

>  <CAS> (442)
882663-88-9

>  <URL> (442)
https://www.selleckchem.com/products/amg-47a.html

$$$$

csChFnd80/04092414132D

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  1  3  1  0  0  0  0
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  3  8  1  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
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  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
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 10 14  2  0  0  0  0
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 15 17  1  0  0  0  0
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M  END
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6756

>  <Formula> (443)
C18H16N2O3

>  <MolWeight> (443)
308.33124

>  <Cat> (443)
S2307

>  <Name> (443)
Roquinimex

>  <Synonyms> (443)
FCF 89, Linomide, LS 2616

>  <Target> (443)
Immunology & Inflammation related

>  <Form> (443)
Free Base

>  <CAS> (443)
84088-42-6

>  <URL> (443)
http://www.selleck.cn/products/roquinimex.html

$$$$

csChFnd80/04092414132D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
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M  END
>  <Mol_ID> (444)
6766

>  <Formula> (444)
C13H18N2O2

>  <MolWeight> (444)
234.29422

>  <Cat> (444)
S2465

>  <Name> (444)
CPI-1189

>  <Synonyms> (444)
REN 1654, REN 1189

>  <Target> (444)
TNF-alpha

>  <Form> (444)
Free Base

>  <CAS> (444)
183619-38-7

>  <URL> (444)
http://www.selleck.cn/products/cpi-1189.html

$$$$

csChFnd80/04092414132D

 42 47  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (445)
6788

>  <Formula> (445)
C32H26N4O6

>  <MolWeight> (445)
562.57204

>  <Cat> (445)
S8933

>  <Name> (445)
ONO-7475

>  <Synonyms> (445)
N/A

>  <Target> (445)
Axl,Mertk

>  <Form> (445)
Free Base

>  <CAS> (445)
1646839-59-9

>  <URL> (445)
http://www.selleckchem.com/products/ono-7475.html

$$$$

csChFnd80/04092414132D

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CXCR

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1648843-04-2

>  <URL> (446)
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6795

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C15H14FN3O2

>  <MolWeight> (447)
287.2889632

>  <Cat> (447)
S8962

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BRD3308

>  <Synonyms> (447)
N/A

>  <Target> (447)
HDAC

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Free Base

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1550053-02-5

>  <URL> (447)
http://www.selleckchem.com/products/brd3308.html

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6803

>  <Formula> (448)
C14H22Cl2N2O2S

>  <MolWeight> (448)
353.30768

>  <Cat> (448)
S2650

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RN-1734

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>  <Target> (448)
TRP Channel

>  <Form> (448)
Free Base

>  <CAS> (448)
946387-07-1

>  <URL> (448)
http://www.selleckchem.com/products/rn-1734.html

$$$$

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6811

>  <Formula> (449)
C28H27ClN3NaO5

>  <MolWeight> (449)
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>  <Cat> (449)
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>  <Name> (449)
TM5275 Sodium

>  <Synonyms> (449)
TM 5275 sodium salt

>  <Target> (449)
PAI-1

>  <Form> (449)
Sodium

>  <CAS> (449)
1103926-82-4

>  <URL> (449)
http://www.selleckchem.com/products/tm5275-sodium.html

$$$$

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  9 16  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 13 22  1  0  0  0  0
 13 23  2  0  0  0  0
 14 17  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 24  1  0  0  0  0
 18 26  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 21 25  1  0  0  0  0
 22 29  2  0  0  0  0
 24 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (450)
6813

>  <Formula> (450)
C21H17ClN2O6

>  <MolWeight> (450)
428.82248

>  <Cat> (450)
S6778

>  <Name> (450)
TM5441

>  <Synonyms> (450)
N/A

>  <Target> (450)
PAI-1

>  <Form> (450)
Free Base

>  <CAS> (450)
1190221-43-2

>  <URL> (450)
http://www.selleckchem.com/products/tm5441.html

$$$$

csChFnd80/04092414132D

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    5.9895    5.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8595    3.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3594    5.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2943    4.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  7  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (451)
6832

>  <Formula> (451)
C15H10FNO

>  <MolWeight> (451)
239.2444032

>  <Cat> (451)
S6808

>  <Name> (451)
SU5205

>  <Synonyms> (451)
N/A

>  <Target> (451)
VEGFR

>  <Form> (451)
Free Base

>  <CAS> (451)
3476-86-6

>  <URL> (451)
http://www.selleckchem.com/products/su-5205.html

$$$$

csChFnd80/04092414132D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    5.0545    6.5190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.2734    0.0000 N   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
    3.7497    2.5268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  2  0  0  0  0
  2 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
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  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
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  5  7  1  0  0  0  0
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M  END
>  <Mol_ID> (452)
6833

>  <Formula> (452)
C16H13NO2

>  <MolWeight> (452)
251.27992

>  <Cat> (452)
S6809

>  <Name> (452)
SU5214

>  <Synonyms> (452)
N/A

>  <Target> (452)
EGFR,VEGFR

>  <Form> (452)
Free Base

>  <CAS> (452)
186611-04-1

>  <URL> (452)
http://www.selleckchem.com/products/su-5214.html

$$$$

csChFnd80/04092414132D

 43 46  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
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  9  5  1  0  0  0  0
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 20 22  1  0  0  0  0
 13 23  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
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 29 24  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 27 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
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 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <Mol_ID> (453)
6834

>  <Formula> (453)
C32H39N7O4

>  <MolWeight> (453)
585.69656

>  <Cat> (453)
S6813

>  <Name> (453)
Mobocertinib (TAK788)

>  <Synonyms> (453)
AP32788

>  <Target> (453)
EGFR,HER2

>  <Form> (453)
Free Base

>  <CAS> (453)
1847461-43-1

>  <URL> (453)
http://www.selleckchem.com/products/tak788.html

$$$$

csChFnd80/04092414132D

 14 16  0  0  0  0  0  0  0  0999 V2000
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    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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  1 14  2  0  0  0  0
  2 11  2  0  0  0  0
M  END
>  <Mol_ID> (454)
6842

>  <Formula> (454)
C12H8N2

>  <MolWeight> (454)
180.20532

>  <Cat> (454)
S6830

>  <Name> (454)
o-Phenanthroline

>  <Synonyms> (454)
1,10-Phenanthroline, phen

>  <Target> (454)
MMP

>  <Form> (454)
Free Base

>  <CAS> (454)
66-71-7

>  <URL> (454)
http://www.selleckchem.com/products/o-phenanthroline.html

$$$$

csChFnd80/04092414132D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  8 19  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  2  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 26  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  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
M  END
>  <Mol_ID> (455)
6850

>  <Formula> (455)
C21H16ClFN2O3S

>  <MolWeight> (455)
430.8797432

>  <Cat> (455)
S8954

>  <Name> (455)
STING agonist-1 (G10)

>  <Synonyms> (455)
N/A

>  <Target> (455)
IFN,STING

>  <Form> (455)
Free Base

>  <CAS> (455)
702662-50-8

>  <URL> (455)
http://www.selleckchem.com/products/sting-agonist-1-g10.html

$$$$

csChFnd80/04092414132D

 25 26  0  0  0  0  0  0  0  0999 V2000
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   10.9120    8.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    7.0002    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (456)
6858

>  <Formula> (456)
C18H18N2O5

>  <MolWeight> (456)
342.34592

>  <Cat> (456)
S0129

>  <Name> (456)
SB-297006

>  <Synonyms> (456)
N/A

>  <Target> (456)
CCR

>  <Form> (456)
Free Base

>  <CAS> (456)
58816-69-6

>  <URL> (456)
http://www.selleckchem.com/products/sb297006.html

$$$$

csChFnd80/04092414132D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.5124    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    7.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    5.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    5.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    7.5126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.5126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4620    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1620    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
  4 13  2  0  0  0  0
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  9 23  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 27  1  0  0  0  0
 24 29  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (457)
6872

>  <Formula> (457)
C21H18F3N5O

>  <MolWeight> (457)
413.3957296

>  <Cat> (457)
S0360

>  <Name> (457)
EGFR Inhibitor

>  <Synonyms> (457)
EGFR-IN-12

>  <Target> (457)
EGFR,Microtubule Associated

>  <Form> (457)
Free Base

>  <CAS> (457)
879127-07-8

>  <URL> (457)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

csChFnd80/04092414132D

 34 37  0  0  0  0  0  0  0  0999 V2000
    3.6374    4.9001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    3.6877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374    6.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997   14.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6618   11.4737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    9.8002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873   11.9002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.9002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3371   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371   11.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4789   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6618   13.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247   14.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1247   11.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121   11.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8789   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748   11.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748   14.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  4 28  1  0  0  0  0
  4 32  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 17  1  0  0  0  0
  7 20  1  0  0  0  0
  8 19  1  0  0  0  0
  8 31  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  2  0  0  0  0
 10 31  2  0  0  0  0
 10 34  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 27  1  0  0  0  0
 18 25  2  0  0  0  0
 19 26  2  0  0  0  0
 20 21  2  0  0  0  0
 20 30  1  0  0  0  0
 22 28  2  0  0  0  0
 25 26  1  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <Mol_ID> (458)
6881

>  <Formula> (458)
C24H28N6O3S

>  <MolWeight> (458)
480.58252

>  <Cat> (458)
S0487

>  <Name> (458)
Sulfatinib

>  <Synonyms> (458)
HMPL-012, Sufatinib, Surfatinib, Surufatinib

>  <Target> (458)
CSF-1R,FGFR,VEGFR

>  <Form> (458)
Free Base

>  <CAS> (458)
1308672-74-3

>  <URL> (458)
http://www.selleckchem.com/products/sulfatinib.html

$$$$

csChFnd80/04092414132D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  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
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 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (459)
6883

>  <Formula> (459)
C14H10BrNOS

>  <MolWeight> (459)
320.2043

>  <Cat> (459)
S0523

>  <Name> (459)
SB 4

>  <Synonyms> (459)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (459)
TGF-beta/Smad

>  <Form> (459)
Free Base

>  <CAS> (459)
100874-08-6

>  <URL> (459)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/04092414132D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4469    5.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4469    6.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2418    7.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6380    3.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3423    2.4114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0888    1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (460)
6899

>  <Formula> (460)
C18H14N2O3

>  <MolWeight> (460)
306.31536

>  <Cat> (460)
S6805

>  <Name> (460)
Tyrphostin AG-528

>  <Synonyms> (460)
Tyrphostin B66, AG 528

>  <Target> (460)
EGFR,HER2

>  <Form> (460)
Free Base

>  <CAS> (460)
133550-49-9

>  <URL> (460)
http://www.selleckchem.com/products/tyrphostin-ag-528.html

$$$$

csChFnd80/04092414132D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (461)
6909

>  <Formula> (461)
C23H26FN5O3

>  <MolWeight> (461)
439.4826432

>  <Cat> (461)
S6843

>  <Name> (461)
Vorolanib

>  <Synonyms> (461)
X-82,CM082

>  <Target> (461)
PDGFR,VEGFR

>  <Form> (461)
Free Base

>  <CAS> (461)
1013920-15-4

>  <URL> (461)
http://www.selleckchem.com/products/vorolanib.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (462)
6913

>  <Formula> (462)
C24H24N4O5S

>  <MolWeight> (462)
480.53616

>  <Cat> (462)
S7688

>  <Name> (462)
Ki20227

>  <Synonyms> (462)
KI-20227

>  <Target> (462)
c-Kit,CSF-1R,PDGFR,VEGFR

>  <Form> (462)
Free Base

>  <CAS> (462)
623142-96-1

>  <URL> (462)
http://www.selleckchem.com/products/ki20227.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (463)
6914

>  <Formula> (463)
C25H19N5S

>  <MolWeight> (463)
421.51686

>  <Cat> (463)
S7692

>  <Name> (463)
A-83-01

>  <Synonyms> (463)
N/A

>  <Target> (463)
TGF-beta/Smad

>  <Form> (463)
Free Base

>  <CAS> (463)
909910-43-6

>  <URL> (463)
http://www.selleckchem.com/products/a-83-01.html

$$$$

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6932

>  <Formula> (464)
C45H52ClN9O8S

>  <MolWeight> (464)
914.46788

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S0072

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MS4078

>  <Synonyms> (464)
N/A

>  <Target> (464)
ALK,PROTAC

>  <Form> (464)
free base

>  <CAS> (464)
2229036-62-6

>  <URL> (464)
http://www.selleckchem.com/products/ms4078.html

$$$$

csChFnd80/04092414132D

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>  <Mol_ID> (465)
6935

>  <Formula> (465)
C25H40N8O2

>  <MolWeight> (465)
484.6375

>  <Cat> (465)
S0085

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BMS-813160

>  <Synonyms> (465)
N/A

>  <Target> (465)
CCR

>  <Form> (465)
free base

>  <CAS> (465)
1286279-29-5

>  <URL> (465)
http://www.selleckchem.com/products/bms813160.html

$$$$

csChFnd80/04092414132D

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>  <Mol_ID> (466)
6936

>  <Formula> (466)
C24H27F2N5O4

>  <MolWeight> (466)
487.4990864

>  <Cat> (466)
S0088

>  <Name> (466)
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>  <Synonyms> (466)
Pemazyre

>  <Target> (466)
FGFR

>  <Form> (466)
free base

>  <CAS> (466)
1513857-77-6

>  <URL> (466)
http://www.selleckchem.com/products/pemigatinib-incb054828.html

$$$$

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   12.1244    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.4751    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.7995    3.6876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (467)
6937

>  <Formula> (467)
C16H10ClF6NO2

>  <MolWeight> (467)
397.6995192

>  <Cat> (467)
S0094

>  <Name> (467)
SR 0987

>  <Synonyms> (467)
N/A

>  <Target> (467)
Interleukins,PD-1/PD-L1,ROR

>  <Form> (467)
free base

>  <CAS> (467)
303126-97-8

>  <URL> (467)
http://www.selleckchem.com/products/sr0987.html

$$$$

csChFnd80/04092414132D

 30 34  0  0  0  0  0  0  0  0999 V2000
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  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
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  4 14  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
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  5 20  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 21  1  0  0  0  0
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 17 24  2  0  0  0  0
 18 20  1  0  0  0  0
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 20 25  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 24 29  1  0  0  0  0
 25 28  1  0  0  0  0
 26 28  2  0  0  0  0
 27 30  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (468)
6943

>  <Formula> (468)
C25H26ClN3O

>  <MolWeight> (468)
419.94644

>  <Cat> (468)
S0135

>  <Name> (468)
JMS-17-2

>  <Synonyms> (468)
N/A

>  <Target> (468)
GPR

>  <Form> (468)
free base

>  <CAS> (468)
1380392-05-1

>  <URL> (468)
http://www.selleckchem.com/products/jms-17-2.html

$$$$

csChFnd80/04092414132D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    7.7853    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 14 19  1  0  0  0  0
M  END
>  <Mol_ID> (469)
6956

>  <Formula> (469)
C15H9Cl2NO

>  <MolWeight> (469)
290.14406

>  <Cat> (469)
S0228

>  <Name> (469)
SU 5201

>  <Synonyms> (469)
NSC 247030

>  <Target> (469)
Interleukins

>  <Form> (469)
free base

>  <CAS> (469)
114727-43-4

>  <URL> (469)
http://www.selleckchem.com/products/nsc-247030.html

$$$$

csChFnd80/04092414132D

 19 21  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
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
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M  END
>  <Mol_ID> (470)
6959

>  <Formula> (470)
C15H13ClN2O

>  <MolWeight> (470)
272.72952

>  <Cat> (470)
S0278

>  <Name> (470)
SU5614

>  <Synonyms> (470)
Chloro-SU5416, Chloro-Semaxanib

>  <Target> (470)
Apoptosis related,c-Kit,FLT3,VEGFR

>  <Form> (470)
free base

>  <CAS> (470)
1055412-47-9

>  <URL> (470)
http://www.selleckchem.com/products/su5614.html

$$$$

csChFnd80/04092414132D

 25 26  0  0  0  0  0  0  0  0999 V2000
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   10.9115    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3365    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 14 17  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (471)
6969

>  <Formula> (471)
C15H17ClN6O3

>  <MolWeight> (471)
364.78688

>  <Cat> (471)
S0377

>  <Name> (471)
CS-2660 (JNJ-38158471)

>  <Synonyms> (471)
N/A

>  <Target> (471)
c-Kit,c-RET,VEGFR

>  <Form> (471)
free base

>  <CAS> (471)
951151-97-6

>  <URL> (471)
http://www.selleckchem.com/products/jnj-38158471.html

$$$$

csChFnd80/04092414132D

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   18.5714    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (472)
6990

>  <Formula> (472)
C23H40N2O3

>  <MolWeight> (472)
392.5753

>  <Cat> (472)
S0752

>  <Name> (472)
AUDA

>  <Synonyms> (472)
N/A

>  <Target> (472)
Epoxide Hydrolase,Interleukins,MMP,p38 MAPK,TGF-beta/Smad,TNF-alpha

>  <Form> (472)
free base

>  <CAS> (472)
479413-70-2

>  <URL> (472)
http://www.selleckchem.com/products/auda.html

$$$$

csChFnd80/04092414132D

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.2554    7.4783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353    6.3496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027    5.0182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    7.3320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8680    5.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7353    4.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1949    4.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4354    6.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1814    5.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7353    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    7.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5290    5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5229    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9478    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5229    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9478    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7353    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9619    9.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    9.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (473)
6992

>  <Formula> (473)
C17H17N3O

>  <MolWeight> (473)
279.33638

>  <Cat> (473)
S0777

>  <Name> (473)
Isuzinaxib (APX-115 free base)

>  <Synonyms> (473)
Ewha-18278 free base

>  <Target> (473)
CCR,Interleukins,NADPH-oxidase,TNF-alpha

>  <Form> (473)
free base

>  <CAS> (473)
1270084-92-8

>  <URL> (473)
http://www.selleckchem.com/products/apx-115-free-base.html

$$$$

csChFnd80/04092414132D

 41 42  0  0  0  0  0  0  0  0999 V2000
    5.3638    1.4732    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7638    1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3638    2.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3638    0.0732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.2089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.3089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.7089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368   11.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   11.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   11.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9638    1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4516    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 36  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 17  1  0  0  0  0
  8 17  2  0  0  0  0
  8 20  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 25  2  0  0  0  0
 12 23  1  0  0  0  0
 12 31  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  2  0  0  0  0
 27 28  2  0  0  0  0
 28 33  1  0  0  0  0
 28 35  1  0  0  0  0
 29 32  2  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 37 40  2  0  0  0  0
 37 41  1  0  0  0  0
M  END
>  <Mol_ID> (474)
6993

>  <Formula> (474)
C25H34N6O8S2

>  <MolWeight> (474)
610.70286

>  <Cat> (474)
S0785

>  <Name> (474)
Apilimod (STA-5326) mesylate

>  <Synonyms> (474)
STA-5326 mesylate

>  <Target> (474)
Interleukins,PIKfyve

>  <Form> (474)
mesylate

>  <CAS> (474)
870087-36-8

>  <URL> (474)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/04092414132D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.5168    3.1672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9636    2.4611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7582    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9313    1.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7496    4.9283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7496    7.1816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.8549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3636    2.4634    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1846    3.5976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1885    1.3322    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5192    1.7672    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6532    0.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  9  2  1  1  0  0  0
 11  3  1  1  0  0  0
  4 13  1  0  0  0  0
 10  5  1  6  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 15  2  0  0  0  0
  6 16  1  0  0  0  0
  7 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (475)
6994

>  <Formula> (475)
C11H15ClN4O4

>  <MolWeight> (475)
302.7142

>  <Cat> (475)
S0787

>  <Name> (475)
3-Deazaadenosine hydrochloride

>  <Synonyms> (475)
3-DZA HCl, c3Ado HCl

>  <Target> (475)
Interleukins,TNF-alpha

>  <Form> (475)
hydrochloride

>  <CAS> (475)
86583-19-9

>  <URL> (475)
http://www.selleckchem.com/products/3-deazaadenosine-hydrochloride.html

$$$$

csChFnd80/04092414132D

 40 43  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0580    2.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.1523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  1 30  1  1  0  0  0
 10 31  1  1  0  0  0
  9 32  1  1  0  0  0
 12 33  1  1  0  0  0
 21 34  1  1  0  0  0
  2 35  1  6  0  0  0
  5 36  1  6  0  0  0
 11 37  1  6  0  0  0
 17 38  1  6  0  0  0
 21 39  1  6  0  0  0
 16 40  1  6  0  0  0
M  END
>  <Mol_ID> (476)
7002

>  <Formula> (476)
C30H48O7

>  <MolWeight> (476)
520.69792

>  <Cat> (476)
S0949

>  <Name> (476)
Cucurbitacin IIb

>  <Synonyms> (476)
CuIIb, Dihydrocucurbitacin F, 25-deacetyl hemslecin A

>  <Target> (476)
Apoptosis related,ERK,I¦ÊB/IKK,JNK,NF-¦ÊB,STAT,TNF-alpha

>  <Form> (476)
free base

>  <CAS> (476)
50298-90-3

>  <URL> (476)
http://www.selleckchem.com/products/curcubitacin-iib.html

$$$$

csChFnd80/04092414132D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9854    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  6  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (477)
7012

>  <Formula> (477)
C10H14O

>  <MolWeight> (477)
150.21756

>  <Cat> (477)
S3205

>  <Name> (477)
Perillaldehyde

>  <Synonyms> (477)
Perilladehyde, Perillal, PAE, PA

>  <Target> (477)
AhR,CCR,Nrf2,ROS

>  <Form> (477)
free base

>  <CAS> (477)
18031-40-8

>  <URL> (477)
http://www.selleckchem.com/products/perillaldehyde.html

$$$$

csChFnd80/04092414132D

 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
    2.4250    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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> (478)
7022

>  <Formula> (478)
C7H14O6

>  <MolWeight> (478)
194.18246

>  <Cat> (478)
S3223

>  <Name> (478)
L-Quebrachitol

>  <Synonyms> (478)
L-QCT

>  <Target> (478)
NF-¦ÊB,RUNX,TGF-beta/Smad,Wnt/beta-catenin

>  <Form> (478)
free base

>  <CAS> (478)
642-38-6

>  <URL> (478)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/04092414132D

 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> (479)
7033

>  <Formula> (479)
C18H20O5

>  <MolWeight> (479)
316.3484

>  <Cat> (479)
S3242

>  <Name> (479)
Loureirin B

>  <Synonyms> (479)
LB, LrB

>  <Target> (479)
Calcium Channel,ERK,JNK,PAI-1,Potassium Channel

>  <Form> (479)
free base

>  <CAS> (479)
119425-90-0

>  <URL> (479)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/04092414132D

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
  9 13  1  6  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
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  2  0  0  0  0
  8 27  1  0  0  0  0
M  END
>  <Mol_ID> (480)
7048

>  <Formula> (480)
C21H26O6

>  <MolWeight> (480)
374.42754

>  <Cat> (480)
S3261

>  <Name> (480)
Myrislignan

>  <Synonyms> (480)
N/A

>  <Target> (480)
Anti-infection,COX,Interleukins,NF-¦ÊB,NOS,TNF-alpha

>  <Form> (480)
free base

>  <CAS> (480)
171485-39-5

>  <URL> (480)
http://www.selleckchem.com/products/myrislignan.html

$$$$

csChFnd80/04092414132D

 19 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3119    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5223    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7328    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9432    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1536    4.8757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3660    4.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5785    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1552    6.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  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
 10 12  1  1  0  0  0
 11 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  1  6  0  0  0
M  END
>  <Mol_ID> (481)
7073

>  <Formula> (481)
C17H24O2

>  <MolWeight> (481)
260.37126

>  <Cat> (481)
S3292

>  <Name> (481)
Falcarindiol

>  <Synonyms> (481)
FAD, (3R,8S)-Falcarindiol, FaDOH

>  <Target> (481)
ERK,Interleukins,JNK,NOS,STAT,TNF-alpha

>  <Form> (481)
free base

>  <CAS> (481)
225110-25-8

>  <URL> (481)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/04092414132D

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3462    6.2694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9539    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3845    5.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1503    3.6325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7660    5.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6985    6.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3462    7.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985    7.8442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0049    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
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 10  1  0  0  0  0
 10 14  1  1  0  0  0
  9 15  1  1  0  0  0
 11 16  1  1  0  0  0
 11 17  1  6  0  0  0
 16 18  1  0  0  0  0
  8 19  1  1  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 21  1  1  0  0  0
 25 26  1  6  0  0  0
 23 27  1  6  0  0  0
 24 28  1  1  0  0  0
 22 29  1  1  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (482)
7074

>  <Formula> (482)
C17H24O11

>  <MolWeight> (482)
404.36586

>  <Cat> (482)
S3293

>  <Name> (482)
Gardenoside

>  <Synonyms> (482)
N/A

>  <Target> (482)
Interleukins,NF-¦ÊB,P2 Receptor,TNF-alpha

>  <Form> (482)
free base

>  <CAS> (482)
24512-62-7

>  <URL> (482)
http://www.selleckchem.com/products/gardenoside.html

$$$$

csChFnd80/04092414132D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166   10.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0084    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291   12.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  1  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (483)
7080

>  <Formula> (483)
C19H18NO4+

>  <MolWeight> (483)
324.35052

>  <Cat> (483)
S3299

>  <Name> (483)
Demethyleneberberine

>  <Synonyms> (483)
DMB

>  <Target> (483)
AMPK,Interleukins,NF-¦ÊB,Peroxidases,TNF-alpha

>  <Form> (483)
free base

>  <CAS> (483)
25459-91-0

>  <URL> (483)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/04092414132D

 24 29  0  0  0  0  0  0  0  0999 V2000
    2.4249    9.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3462   11.9852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9539   12.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3845   10.8525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.4157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7157    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    1.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  3  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (484)
7085

>  <Formula> (484)
C19H17NO4

>  <MolWeight> (484)
323.34258

>  <Cat> (484)
S3304

>  <Name> (484)
Stylopine

>  <Synonyms> (484)
(R,S)-Stylopine, Tetrahydrocoptisine

>  <Target> (484)
COX,Interleukins,NOS,PGES,TNF-alpha

>  <Form> (484)
free base

>  <CAS> (484)
4312-32-7

>  <URL> (484)
http://www.selleckchem.com/products/stylopine-trahydocoptisine-.html

$$$$

csChFnd80/04092414132D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 10  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
 17 20  1  0  0  0  0
 13 14  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
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 27 28  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 31  1  0  0  0  0
 24 27  1  0  0  0  0
 13 21  1  0  0  0  0
  7 13  1  0  0  0  0
  2  3  1  0  0  0  0
  1 34  1  0  0  0  0
M  END
>  <Mol_ID> (485)
7097

>  <Formula> (485)
C27H33ClN2O4

>  <MolWeight> (485)
485.01492

>  <Cat> (485)
S6760

>  <Name> (485)
LM22B-10

>  <Synonyms> (485)
N/A

>  <Target> (485)
Akt,ERK,Trk receptor

>  <Form> (485)
free base

>  <CAS> (485)
342777-54-2

>  <URL> (485)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/04092414132D

 31 36  0  0  0  0  0  0  0  0999 V2000
   11.6149    6.2716    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9535    5.4017    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4142    3.7525    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6714    6.4231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3714    5.2106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5245    7.5940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3121    6.8940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6663    8.2941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6507    0.9351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8492    9.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2900    0.6421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2791    6.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    7.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6082    7.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8871    6.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7408    5.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0997    7.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2842    5.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0997    8.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8492    7.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7192    4.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5890    1.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2191    2.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7949    2.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6928    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 19  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 23  1  0  0  0  0
  7 18  2  0  0  0  0
  8 10  1  0  0  0  0
  8 21  2  0  0  0  0
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  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 23  2  0  0  0  0
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 27 29  1  0  0  0  0
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M  END
>  <Mol_ID> (486)
7098

>  <Formula> (486)
C20H15F3N8

>  <MolWeight> (486)
424.3819096

>  <Cat> (486)
S6762

>  <Name> (486)
Bozitinib (PLB-1001)

>  <Synonyms> (486)
CBT-101, APL-101, CBI-3103

>  <Target> (486)
c-Met

>  <Form> (486)
free base

>  <CAS> (486)
1440964-89-5

>  <URL> (486)
http://www.selleckchem.com/products/bozitinib.html

$$$$

csChFnd80/04092414132D

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   10.9607    1.0221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6607    2.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8375    2.6740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0146    3.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6221    3.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8758    1.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2684    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2324    3.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
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M  END
>  <Mol_ID> (487)
7106

>  <Formula> (487)
C24H28N6O

>  <MolWeight> (487)
416.51872

>  <Cat> (487)
S6850

>  <Name> (487)
NE 52-QQ57

>  <Synonyms> (487)
N/A

>  <Target> (487)
cAMP,COX,GPR,Interleukins,NOS,PGES,TNF-alpha

>  <Form> (487)
free base

>  <CAS> (487)
1401728-56-0

>  <URL> (487)
http://www.selleckchem.com/products/ne-52-qq57.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (488)
7112

>  <Formula> (488)
C29H35F3N8O5S

>  <MolWeight> (488)
664.6990096

>  <Cat> (488)
S6868

>  <Name> (488)
Alflutinib (AST2818) mesylate

>  <Synonyms> (488)
Furmonertinib mesylate

>  <Target> (488)
EGFR,P450 (e.g. CYP17)

>  <Form> (488)
mesylate

>  <CAS> (488)
2130958-55-1

>  <URL> (488)
https://www.selleckchem.com/products/alflutinib-ast2818-mesylate.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (489)
7113

>  <Formula> (489)
C31H29FN4O5

>  <MolWeight> (489)
556.5841632

>  <Cat> (489)
S6870

>  <Name> (489)
Ningetinib

>  <Synonyms> (489)
CT-053, DE-120, CT053PTSA

>  <Target> (489)
Axl,c-Met,VEGFR

>  <Form> (489)
free base

>  <CAS> (489)
1394820-69-9

>  <URL> (489)
http://www.selleckchem.com/products/ningetinib.html

$$$$

csChFnd80/04092414132D

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    2.2270    2.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9869    8.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9271    1.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2356    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8857    4.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9806    1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6473    4.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2 13  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  1  0  0  0  0
  3 23  1  0  0  0  0
  4 20  1  0  0  0  0
  4 27  1  0  0  0  0
  5 18  2  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 24  3  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 22  1  0  0  0  0
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 20 25  2  0  0  0  0
 22 23  2  0  0  0  0
 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (490)
7127

>  <Formula> (490)
C20H12N2OS4

>  <MolWeight> (490)
424.58208

>  <Cat> (490)
S6898

>  <Name> (490)
RCM-1

>  <Synonyms> (490)
Robert Costa Memorial drug-1

>  <Target> (490)
FOXM1,Interleukins,STAT,Wnt/beta-catenin

>  <Form> (490)
free base

>  <CAS> (490)
339163-65-4

>  <URL> (490)
http://www.selleckchem.com/products/rcm-1.html

$$$$

csChFnd80/04092414132D

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 38 39  2  0  0  0  0
 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  6  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
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M  END
>  <Mol_ID> (491)
7137

>  <Formula> (491)
C41H52N4O4S

>  <MolWeight> (491)
696.94098

>  <Cat> (491)
S8512

>  <Name> (491)
Cenicriviroc (TAK-652)

>  <Synonyms> (491)
CVC, TBR-652

>  <Target> (491)
CCR,HIV

>  <Form> (491)
free base

>  <CAS> (491)
497223-25-3

>  <URL> (491)
http://www.selleckchem.com/products/cenicriviroc.html

$$$$

csChFnd80/04092414132D

 26 29  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 13  9  2  0  0  0  0
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M  END
>  <Mol_ID> (492)
7155

>  <Formula> (492)
C18H19N5O3

>  <MolWeight> (492)
353.37516

>  <Cat> (492)
S8965

>  <Name> (492)
BO-264

>  <Synonyms> (492)
N/A

>  <Target> (492)
Apoptosis related,FGFR,TACC3

>  <Form> (492)
free base

>  <CAS> (492)
2408648-20-2

>  <URL> (492)
http://www.selleckchem.com/products/bo-264.html

$$$$

csChFnd80/04092414132D

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  9 35  1  0  0  0  0
M  ISO  1  30   2
M  ISO  1  31   2
M  ISO  1  32   2
M  END
>  <Mol_ID> (493)
7170

>  <Formula> (493)
C21H13ClD3F3N4O3

>  <MolWeight> (493)
467.843434934

>  <Cat> (493)
S9621

>  <Name> (493)
Donafenib (Sorafenib D3)

>  <Synonyms> (493)
Bay 43-9006 D3, CM-4307

>  <Target> (493)
Raf,VEGFR

>  <Form> (493)
free base

>  <CAS> (493)
1130115-44-4

>  <URL> (493)
http://www.selleckchem.com/products/donafenib-sorafenib-d3.html

$$$$

csChFnd80/04092414132D

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.2497    9.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 28  1  0  0  0  0
  3 20  2  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 35  2  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 25  1  0  0  0  0
  7 33  2  0  0  0  0
  8 31  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 32  2  0  0  0  0
  9 33  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  2  0  0  0  0
 26 28  2  0  0  0  0
 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <Mol_ID> (494)
7177

>  <Formula> (494)
C27H27F2N5O3

>  <MolWeight> (494)
507.5317864

>  <Cat> (494)
S9660

>  <Name> (494)
Remibrutinib (LOU064)

>  <Synonyms> (494)
N/A

>  <Target> (494)
BTK,Interleukins

>  <Form> (494)
free base

>  <CAS> (494)
1787294-07-8

>  <URL> (494)
http://www.selleckchem.com/products/remibrutinib-lou064.html

$$$$

csChFnd80/04092414132D

 35 39  0  0  0  0  0  0  0  0999 V2000
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    8.4661    7.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2537    7.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7977    5.3168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6206    6.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7977    7.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8330    5.0518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6248    5.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    5.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5982    9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0308   10.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5252    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15  7  1  1  0  0  0
  9 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
 15 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 15  1  0  0  0  0
 32 35  1  6  0  0  0
M  END
>  <Mol_ID> (495)
7178

>  <Formula> (495)
C28H40N6O

>  <MolWeight> (495)
476.6568

>  <Cat> (495)
S9662

>  <Name> (495)
UNC2025

>  <Synonyms> (495)
N/A

>  <Target> (495)
Axl,c-Kit,c-Met,FLT3,Mertk,Trk receptor,Tyro3

>  <Form> (495)
free base

>  <CAS> (495)
1429881-91-3

>  <URL> (495)
http://www.selleckchem.com/products/unc2025.html

$$$$

csChFnd80/04092414132D

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   14.5492   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (496)
7180

>  <Formula> (496)
C97H144FN33O19S2

>  <MolWeight> (496)
2159.5193632

>  <Cat> (496)
S9665

>  <Name> (496)
Motixafortide (BL-8040)

>  <Synonyms> (496)
BKT140, TF 14016, 4-fluorobenzoyl, 4F-benzoyl-TN14003, T140

>  <Target> (496)
Apoptosis related,Bcl-2,CDK,CXCR,ERK,MicroRNA

>  <Form> (496)
free base

>  <CAS> (496)
664334-36-5

>  <URL> (496)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (497)
7200

>  <Formula> (497)
C17H15N5

>  <MolWeight> (497)
289.3345

>  <Cat> (497)
S0540

>  <Name> (497)
BAY-474

>  <Synonyms> (497)
N/A

>  <Target> (497)
c-Met

>  <Form> (497)
Free Base

>  <CAS> (497)
1033767-86-0

>  <URL> (497)
https://www.selleckchem.com/products/bay-474.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (498)
7210

>  <Formula> (498)
C21H18N2O

>  <MolWeight> (498)
314.38042

>  <Cat> (498)
S0765

>  <Name> (498)
MAZ51

>  <Synonyms> (498)
N/A

>  <Target> (498)
Akt,Apoptosis related,GSK-3,Rho,VEGFR

>  <Form> (498)
Free Base

>  <CAS> (498)
163655-37-6

>  <URL> (498)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (499)
7231

>  <Formula> (499)
C53H90O22

>  <MolWeight> (499)
1079.2685

>  <Cat> (499)
S9208

>  <Name> (499)
Ginsenoside Rb3

>  <Synonyms> (499)
N/A

>  <Target> (499)
COX,NF-¦ÊB,NOS

>  <Form> (499)
Free Base

>  <CAS> (499)
68406-26-8

>  <URL> (499)
https://www.selleckchem.com/products/ginsenoside-rb3.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (500)
7241

>  <Formula> (500)
C53H90O22

>  <MolWeight> (500)
1079.2685

>  <Cat> (500)
S9266

>  <Name> (500)
Ginsenoside Rc

>  <Synonyms> (500)
N/A

>  <Target> (500)
Immunology & Inflammation related

>  <Form> (500)
Free Base

>  <CAS> (500)
11021-14-0

>  <URL> (500)
https://www.selleckchem.com/products/ginsenoside-rc.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (501)
7255

>  <Formula> (501)
C41H28O27

>  <MolWeight> (501)
952.64482

>  <Cat> (501)
S9396

>  <Name> (501)
Geraniin

>  <Synonyms> (501)
N/A

>  <Target> (501)
TNF-alpha

>  <Form> (501)
Free Base

>  <CAS> (501)
60976-49-0

>  <URL> (501)
https://www.selleckchem.com/products/geraniin.html

$$$$

csChFnd80/04092414132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (502)
7282

>  <Formula> (502)
C16H14IN3O2

>  <MolWeight> (502)
407.20573

>  <Cat> (502)
S0151

>  <Name> (502)
AG-1557

>  <Synonyms> (502)
N/A

>  <Target> (502)
EGFR

>  <Form> (502)
Free Base

>  <CAS> (502)
189290-58-2

>  <URL> (502)
https://www.selleckchem.com/products/ag-1557.html

$$$$

csChFnd80/04092414132D

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   14.5492    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8071    3.2196    0.0000 O   0  5  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
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 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
 17 18  1  0  0  0  0
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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (503)
7284

>  <Formula> (503)
C16H15FN2O4

>  <MolWeight> (503)
318.2997032

>  <Cat> (503)
S0153

>  <Name> (503)
SJ000291942

>  <Synonyms> (503)
N/A

>  <Target> (503)
TGF-beta/Smad

>  <Form> (503)
Free Base

>  <CAS> (503)
425613-09-8

>  <URL> (503)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/04092414132D

 25 29  0  0  0  0  0  0  0  0999 V2000
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    0.8171   10.1666    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8315    6.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5986    7.4060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7314    4.9226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8171    7.9134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5668    8.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1418    8.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3897    2.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9411    0.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1285    1.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3993    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2 11  1  0  0  0  0
  2 25  1  0  0  0  0
  3 20  2  0  0  0  0
  4  8  1  0  0  0  0
  4 14  2  0  0  0  0
  5 14  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 10 21  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 22  2  0  0  0  0
 13 16  2  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 15 17  2  0  0  0  0
 18 19  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> (504)
7300

>  <Formula> (504)
C19H11N3OS2

>  <MolWeight> (504)
361.44014

>  <Cat> (504)
S0289

>  <Name> (504)
KIN1148

>  <Synonyms> (504)
N/A

>  <Target> (504)
IFN,Influenza Virus

>  <Form> (504)
Free Base

>  <CAS> (504)
1428729-56-9

>  <URL> (504)
https://www.selleckchem.com/products/kin1148.html

$$$$

csChFnd80/04092414132D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.0545    6.5190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9668    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.2734    0.0000 N   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
    3.7497    2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5545    4.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3594    5.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8595    3.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2943    4.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4894    7.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1 19  1  0  0  0  0
  2  7  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
  8  5  2  0  0  0  0
M  END
>  <Mol_ID> (505)
7301

>  <Formula> (505)
C17H15NO2

>  <MolWeight> (505)
265.3065

>  <Cat> (505)
S0290

>  <Name> (505)
SU5204

>  <Synonyms> (505)
N/A

>  <Target> (505)
HER2,VEGFR

>  <Form> (505)
Free Base

>  <CAS> (505)
186611-11-0

>  <URL> (505)
https://www.selleckchem.com/products/su5204.html

$$$$

csChFnd80/04092414132D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.5821    2.8486    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9665    6.9153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3254   11.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    9.1486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4353    9.6195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7353   10.8319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    7.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    0.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8276    9.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3969    8.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4984    8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2195    9.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6760    8.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 12  1  0  0  0  0
  3 15  2  0  0  0  0
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  5 33  1  0  0  0  0
  6 38  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 18  1  0  0  0  0
  9 20  1  0  0  0  0
  9 26  1  0  0  0  0
 10 34  2  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  2  0  0  0  0
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 29 31  1  0  0  0  0
 32 33  2  0  0  0  0
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 35 39  2  0  0  0  0
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 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (506)
7309

>  <Formula> (506)
C31H29FN4O5

>  <MolWeight> (506)
556.5841632

>  <Cat> (506)
S0361

>  <Name> (506)
AMG-1

>  <Synonyms> (506)
c-Met/RON Dual Kinase Inhibitor, RON-IN-1

>  <Target> (506)
c-Met

>  <Form> (506)
Free Base

>  <CAS> (506)
913376-84-8

>  <URL> (506)
https://www.selleckchem.com/products/amg-1.html

$$$$

csChFnd80/04092414132D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
  7 14  1  0  0  0  0
 13 15  3  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (507)
7328

>  <Formula> (507)
C16H16N4

>  <MolWeight> (507)
264.32504

>  <Cat> (507)
S0771

>  <Name> (507)
BRD6989

>  <Synonyms> (507)
N/A

>  <Target> (507)
CDK,Interleukins

>  <Form> (507)
Free Base

>  <CAS> (507)
642008-81-9

>  <URL> (507)
https://www.selleckchem.com/products/brd6989.html

$$$$

csChFnd80/04092414132D

 26 29  0  0  0  0  0  0  0  0999 V2000
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    5.7750    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1701    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3913    5.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8702    6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4048    4.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7659    2.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2702    8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9702    7.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1182    2.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7759    1.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4806    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1383    0.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4906    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 16  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 18  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (508)
7330

>  <Formula> (508)
C22H16N2O2

>  <MolWeight> (508)
340.37464

>  <Cat> (508)
S0775

>  <Name> (508)
IRAK4-IN-4

>  <Synonyms> (508)
N/A

>  <Target> (508)
cGAS,IRAK

>  <Form> (508)
Free Base

>  <CAS> (508)
1850276-58-2

>  <URL> (508)
https://www.selleckchem.com/products/irak4-in-4.html

$$$$

csChFnd80/04092414132D

 26 30  0  0  0  0  0  0  0  0999 V2000
    8.0935    5.3677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9408    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6068    7.7431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7285    1.2462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7442    4.0460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7220    5.0866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2671    1.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    1.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0903    2.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9527    3.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2797    3.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8299    0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5336    2.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0082    3.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5358    6.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9072    6.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4861    8.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8773    8.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1583    6.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3 22  2  0  0  0  0
  4  8  2  0  0  0  0
  4 14  1  0  0  0  0
  5 10  2  0  0  0  0
  5 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (509)
7332

>  <Formula> (509)
C20H11N3O3

>  <MolWeight> (509)
341.31964

>  <Cat> (509)
S0781

>  <Name> (509)
IQ 3

>  <Synonyms> (509)
N/A

>  <Target> (509)
Interleukins,JNK,NF-¦ÊB,TNF-alpha

>  <Form> (509)
Free Base

>  <CAS> (509)
312538-03-7

>  <URL> (509)
https://www.selleckchem.com/products/iq-3.html

$$$$

csChFnd80/04092414132D

 35 37  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
  2 20  1  0  0  0  0
  2 31  1  0  0  0  0
  3 24  1  0  0  0  0
  3 32  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  7 14  2  0  0  0  0
  7 28  1  0  0  0  0
  8 23  1  0  0  0  0
  8 30  2  0  0  0  0
  9 28  3  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 21  2  0  0  0  0
 17 20  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 19 25  1  0  0  0  0
 20 24  2  0  0  0  0
 21 26  1  0  0  0  0
 22 24  1  0  0  0  0
 23 27  1  0  0  0  0
 25 29  2  0  0  0  0
 26 27  2  0  0  0  0
 29 30  1  0  0  0  0
 14  5  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
M  END
>  <Mol_ID> (510)
7338

>  <Formula> (510)
C26H30N6O3

>  <MolWeight> (510)
474.5548

>  <Cat> (510)
S0826

>  <Name> (510)
A-740003

>  <Synonyms> (510)
N/A

>  <Target> (510)
Interleukins,P2 Receptor

>  <Form> (510)
Free Base

>  <CAS> (510)
861393-28-4

>  <URL> (510)
https://www.selleckchem.com/products/a-740003.html

$$$$

csChFnd80/04092414132D

 24 24  0  0  0  0  0  0  0  0999 V2000
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   14.5493    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3369    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  2  0  0  0  0
  2 17  2  0  0  0  0
  3 18  2  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 16  1  0  0  0  0
  7 19  1  0  0  0  0
  8 17  1  0  0  0  0
  8 20  1  0  0  0  0
  9 18  1  0  0  0  0
  9 21  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 18  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (511)
7339

>  <Formula> (511)
C15H21N3O6

>  <MolWeight> (511)
339.34374

>  <Cat> (511)
S0827

>  <Name> (511)
LM22A-4

>  <Synonyms> (511)
LM 22A4

>  <Target> (511)
Trk receptor

>  <Form> (511)
Free Base

>  <CAS> (511)
37988-18-4

>  <URL> (511)
https://www.selleckchem.com/products/lm-22a4.html

$$$$

csChFnd80/04092414132D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    4.7507    6.7530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1756    6.7530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5384    3.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 24  1  0  0  0  0
  3 20  2  0  0  0  0
  4 21  2  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
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 21 22  1  0  0  0  0
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 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (512)
7340

>  <Formula> (512)
C21H14ClFN2O2

>  <MolWeight> (512)
380.7994632

>  <Cat> (512)
S0836

>  <Name> (512)
TMN355

>  <Synonyms> (512)
N/A

>  <Target> (512)
Immunology & Inflammation related

>  <Form> (512)
Free Base

>  <CAS> (512)
1186372-20-2

>  <URL> (512)
https://www.selleckchem.com/products/tmn355.html

$$$$

csChFnd80/04092414132D

 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
    3.5018    2.5251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   10.2794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9346    3.8565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   13.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    8.1794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6516    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2923    5.6084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018    2.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692    3.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    4.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392   10.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144   10.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392   12.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144   12.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0144    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   14.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144    8.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8641    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    3.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0766    6.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    4.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2229    4.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5540    2.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3388    1.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 28  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  2  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  1  0  0  0  0
  7 21  2  0  0  0  0
  7 25  1  0  0  0  0
  8 22  1  0  0  0  0
  8 25  2  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (513)
7356

>  <Formula> (513)
C22H31N9O

>  <MolWeight> (513)
437.54124

>  <Cat> (513)
S1272

>  <Name> (513)
XL228

>  <Synonyms> (513)
N/A

>  <Target> (513)
Aurora Kinase,Bcr-Abl,IGF-1R,Src

>  <Form> (513)
Free Base

>  <CAS> (513)
898280-07-4

>  <URL> (513)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/04092414132D

 44 48  0  0  0  0  0  0  0  0999 V2000
    2.4168    4.1768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4168    2.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0573    4.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    6.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    0.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    2.0905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6705    2.7850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    2.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2592    4.1847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9001    4.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4168    5.5729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2691    5.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8704    2.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4089    8.2967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4501    6.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2097   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   13.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5550   13.2183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
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 15 16  1  0  0  0  0
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 16 18  1  0  0  0  0
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 18 20  1  1  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  6  0  0  0
 11 19  1  0  0  0  0
 19 23  1  6  0  0  0
 15 24  1  1  0  0  0
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 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
 27 28  1  0  0  0  0
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 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 33 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
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 43 38  1  0  0  0  0
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M  END
>  <Mol_ID> (514)
7357

>  <Formula> (514)
C29H30O13

>  <MolWeight> (514)
586.5407

>  <Cat> (514)
S1273

>  <Name> (514)
Amarogentin

>  <Synonyms> (514)
AG

>  <Target> (514)
Akt,AMPK,Apoptosis related,PI3K,Taste Receptor,TNF-alpha

>  <Form> (514)
Free Base

>  <CAS> (514)
21018-84-8

>  <URL> (514)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/04092414132D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    4.9621    6.8231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2020    1.6194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    4.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    6.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7670    2.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2126    6.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  2 15  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  2  0  0  0  0
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 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (515)
7370

>  <Formula> (515)
C12H14N2O2

>  <MolWeight> (515)
218.25176

>  <Cat> (515)
S2985

>  <Name> (515)
N-Acetyl-5-hydroxytryptamine

>  <Synonyms> (515)
NAS, N-Acetylserotonin, Normelatonin, O-Demethylmelatonin

>  <Target> (515)
Trk receptor

>  <Form> (515)
Free Base

>  <CAS> (515)
1210-83-9

>  <URL> (515)
https://www.selleckchem.com/products/n-acetyl-5-hydroxytryptamine.html

$$$$

csChFnd80/04092414132D

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    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  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (516)
7435

>  <Formula> (516)
C4H11O4P

>  <MolWeight> (516)
154.101501

>  <Cat> (516)
S3312

>  <Name> (516)
Diethyl phosphate

>  <Synonyms> (516)
DEP, DPF, Diethyl phosphoric acid, diethyl hydrogen phosphate

>  <Target> (516)
Interleukins

>  <Form> (516)
Phosphate

>  <CAS> (516)
598-02-7

>  <URL> (516)
https://www.selleckchem.com/products/diethyl-phosphate.html

$$$$

csChFnd80/04092414132D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.6340    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2069    4.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2786    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    6.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2336    5.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6243    5.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9267    7.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7149    7.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8551    8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125    9.2223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
  7 10  1  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 17  1  0  0  0  0
 12 17  2  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
 18 22  1  0  0  0  0
 23 24  3  0  0  0  0
 18 23  1  0  0  0  0
 15 18  1  0  0  0  0
  9 12  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (517)
7488

>  <Formula> (517)
C24H23N5O

>  <MolWeight> (517)
397.47232

>  <Cat> (517)
S5248

>  <Name> (517)
Apatinib

>  <Synonyms> (517)
Rivoceranib, YN968D1

>  <Target> (517)
Apoptosis related,Autophagy,c-Kit,c-RET,Src,VEGFR

>  <Form> (517)
Free Base

>  <CAS> (517)
811803-05-1

>  <URL> (517)
https://www.selleckchem.com/products/apatinib.html

$$$$

csChFnd80/04092414132D

  1  0  0  0  0  0  0  0  0  0999 V2000
  244.4750 -169.8500    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
A    1
No Structure
M  END
>  <Mol_ID> (518)
7507

>  <Formula> (518)
R

>  <Cat> (518)
S6955

>  <Name> (518)
Insulin (human)

>  <Synonyms> (518)
Insulin regular

>  <Target> (518)
IGF-1R

>  <Form> (518)
Free Base

>  <CAS> (518)
11061-68-0

>  <URL> (518)
https://www.selleckchem.com/products/insulin.html

$$$$

csChFnd80/04092414132D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.0669    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0669    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2793    0.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4918    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4918    2.2729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2793    2.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9723    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6074    2.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6074    0.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9723    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2839    4.5107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042    0.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9166    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1956    0.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1324    1.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4324    2.5563    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0630    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5224    1.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9147    1.0514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
  7 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  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  1  0  0  0  0
 18 14  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  3  0  0  0  0
M  END
>  <Mol_ID> (519)
7522

>  <Formula> (519)
C14H12N4OS

>  <MolWeight> (519)
284.33628

>  <Cat> (519)
S9617

>  <Name> (519)
G6PDi-1

>  <Synonyms> (519)
N/A

>  <Target> (519)
Dehydrogenase,NADPH-oxidase

>  <Form> (519)
Free Base

>  <CAS> (519)
2457232-14-1

>  <URL> (519)
https://www.selleckchem.com/products/g6pdi-1.html

$$$$

csChFnd80/04092414132D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.6610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    5.9262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2010    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    4.7936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    6.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0671    6.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7671    4.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1671    4.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8671    6.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1671    7.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7671    7.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8647    3.5812    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.1671    2.3729    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.2598    3.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (520)
7540

>  <Formula> (520)
C17H16N4O3

>  <MolWeight> (520)
324.33394

>  <Cat> (520)
S9701

>  <Name> (520)
HS-243

>  <Synonyms> (520)
N/A

>  <Target> (520)
IRAK

>  <Form> (520)
Free Base

>  <CAS> (520)
848249-10-5

>  <URL> (520)
https://www.selleckchem.com/products/hs-243.html

$$$$

csChFnd80/04092414132D

 39 44  0  0  0  0  0  0  0  0999 V2000
    4.6280    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6280    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4198    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2611    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6322    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    6.2850    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.3233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3276    4.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5644    6.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1950    6.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6644    5.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3644    6.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6644    7.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7595    6.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4595    5.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8595    5.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5595    6.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8595    7.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4595    7.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9547    6.5761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6547    5.3637    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
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 18 14  2  0  0  0  0
 11 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 11  1  0  0  0  0
 20 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 21  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 19 39  2  0  0  0  0
M  END
>  <Mol_ID> (521)
7561

>  <Formula> (521)
C29H26FN5O3S

>  <MolWeight> (521)
543.6118432

>  <Cat> (521)
S8920

>  <Name> (521)
(Rac)-JBJ-04-125-02

>  <Synonyms> (521)
JBJ-04-125-02 racemate

>  <Target> (521)
EGFR

>  <Form> (521)
Free Base

>  <CAS> (521)
2140807-05-0

>  <URL> (521)
http://www.selleckchem.com/products/jbj-04-125-02.html

$$$$

csChFnd80/04092414132D

 36 39  0  0  0  0  0  0  0  0999 V2000
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    3.9129    5.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4209    5.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8428    3.8699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5228    5.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1008    7.7253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5502    2.9374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3378    2.2374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1253    2.9374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   16.1108    5.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2449    6.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3378    3.6374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1146    1.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    1.5501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  6  0  0  0
 16  2  1  1  0  0  0
  3 25  2  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 28  2  0  0  0  0
  6 30  2  0  0  0  0
  7 33  1  0  0  0  0
  8 33  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 20  1  1  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 18  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 15 21  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  1  0  0  0
 17 18  1  0  0  0  0
 19 22  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  2  0  0  0  0
 23 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 11 34  1  1  0  0  0
 12 35  1  6  0  0  0
 10 36  1  6  0  0  0
M  END
>  <Mol_ID> (522)
7563

>  <Formula> (522)
C25H34O8

>  <MolWeight> (522)
462.53266

>  <Cat> (522)
S5972

>  <Name> (522)
Hydrocortisone hemisuccinate

>  <Synonyms> (522)
A-hydrocort, Hydrocortisone 21-hemisuccinate

>  <Target> (522)
Interleukins

>  <Form> (522)
Hemisuccinate

>  <CAS> (522)
2203-97-6

>  <URL> (522)
http://www.selleckchem.com/products/hydrocortisone-hemisuccinate.html

$$$$

csChFnd80/04092414132D

 40 44  0  0  0  0  0  0  0  0999 V2000
    7.2578    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    8.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702   10.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   12.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   13.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   12.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    9.0830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9404   15.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280   14.6757    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  2  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  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  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 10 32  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
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 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
M  END
>  <Mol_ID> (523)
7578

>  <Formula> (523)
C29H29ClN6O4

>  <MolWeight> (523)
561.03136

>  <Cat> (523)
S9786

>  <Name> (523)
BDTX-189

>  <Synonyms> (523)
N/A

>  <Target> (523)
EGFR,HER2,RIP kinase

>  <Form> (523)
Free Base

>  <CAS> (523)
2414572-47-5

>  <URL> (523)
http://www.selleckchem.com/products/bdtx-189.html

$$$$

csChFnd80/04092414132D

 36 37  0  0  0  0  0  0  0  0999 V2000
   12.1308    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    9.8784    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    9.8784    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5515    1.3976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    8.4339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    7.7315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   12.6195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    5.6388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7262    8.4850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7182    4.1928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9947    6.3072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9183    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1308    4.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1308    1.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3433    3.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3432    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    6.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  4 35  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 29  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 21  1  0  0  0  0
  9 29  1  0  0  0  0
 10 24  1  0  0  0  0
 10 27  2  0  0  0  0
 11 26  1  0  0  0  0
 11 28  1  0  0  0  0
 12 26  2  0  0  0  0
 12 27  1  0  0  0  0
 13 16  1  0  0  0  0
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 15 18  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
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 28 30  2  0  0  0  0
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 29 34  1  0  0  0  0
 30 32  1  0  0  0  0
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 33 35  1  0  0  0  0
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M  END
>  <Mol_ID> (524)
7584

>  <Formula> (524)
C24H27Cl3FN5O3

>  <MolWeight> (524)
558.8602832

>  <Cat> (524)
S0711

>  <Name> (524)
Canertinib dihydrochloride

>  <Synonyms> (524)
CI-1033 dihydrochloride, PD-183805 dihydrochloride

>  <Target> (524)
EGFR

>  <Form> (524)
Dihydrochloride

>  <CAS> (524)
289499-45-2

>  <URL> (524)
http://www.selleckchem.com/products/canertinib-dihydrochloride.html

$$$$

csChFnd80/04092414132D

 96104  0  0  0  0  0  0  0  0999 V2000
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    3.4967   10.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (525)
7595

>  <Formula> (525)
C72H66N8O12S4

>  <MolWeight> (525)
1363.60084

>  <Cat> (525)
P1202

>  <Name> (525)
TMPyP4 tosylate

>  <Synonyms> (525)
TMP 1363

>  <Target> (525)
G-quadruplex,Telomerase

>  <Form> (525)
Tosylate

>  <CAS> (525)
36951-72-1

>  <URL> (525)
http://www.selleckchem.com/products/tmpyp4-tosylate.html

$$$$

csChFnd80/04092414132D

 26 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.5124    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    5.5499    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3374    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5748    5.9249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1249    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1873    4.2001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 18 26  1  0  0  0  0
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M  END
>  <Mol_ID> (526)
7605

>  <Formula> (526)
C8BrF17

>  <MolWeight> (526)
498.9624544

>  <Cat> (526)
S3501

>  <Name> (526)
Perflubron

>  <Synonyms> (526)
1-Bromoperfluorooctane, Perfluorooctyl bromide, Oxygent, PFOB

>  <Target> (526)
Immunology & Inflammation related

>  <Form> (526)
Free Base

>  <CAS> (526)
423-55-2

>  <URL> (526)
http://www.selleckchem.com/products/perflubron.html

$$$$

csChFnd80/04092414132D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (527)
7611

>  <Formula> (527)
C32H28F3N5O4

>  <MolWeight> (527)
603.5910296

>  <Cat> (527)
S8682

>  <Name> (527)
AMG 487

>  <Synonyms> (527)
N/A

>  <Target> (527)
CXCR

>  <Form> (527)
Free Base

>  <CAS> (527)
473719-41-4

>  <URL> (527)
http://www.selleckchem.com/products/amg-487.html

$$$$

csChFnd80/04092414132D

 33 36  0  0  0  0  0  0  0  0999 V2000
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    6.3379    3.5969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1254    4.2968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8750    6.1234    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3379    6.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1254    5.6968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8750    3.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8514    3.5873    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6920    4.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3603    2.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1031    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5503    7.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8402    2.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0090    6.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5539    4.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1084    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5306    1.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2870    6.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2268    3.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6990    6.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8330    7.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3379    4.9969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1146    2.8969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    2.9095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  6  0  0  0
 13  2  1  1  0  0  0
  3 21  2  0  0  0  0
  4 26  1  0  0  0  0
  4 29  1  0  0  0  0
  5 28  2  0  0  0  0
  6 29  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 19  1  1  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 22  1  1  0  0  0
 15 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 18 24  1  6  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 23 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
  9 31  1  1  0  0  0
 10 32  1  6  0  0  0
  8 33  1  6  0  0  0
M  END
>  <Mol_ID> (528)
7622

>  <Formula> (528)
C24H32O6

>  <MolWeight> (528)
416.50728

>  <Cat> (528)
S5973

>  <Name> (528)
Methylprednisolone Acetate

>  <Synonyms> (528)
NSC-19987 acetate, Medrol acetate

>  <Target> (528)
ACE,Apoptosis related,Autophagy,Glucocorticoid Receptor,Immunology & Inflammation related,Interleukins

>  <Form> (528)
Free Base

>  <CAS> (528)
53-36-1

>  <URL> (528)
http://www.selleckchem.com/products/methylprednisolone-acetate.html

$$$$

csChFnd80/04092414132D

 19 22  0  0  0  0  0  0  0  0999 V2000
    6.8894    4.1699    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2815    4.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8533    3.0408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8146    2.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6009    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8172    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6060    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3922    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3897    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0616    0.2628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0575    2.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2367    1.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8367    1.3925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6224    3.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2887    5.2761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6806    5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2524    4.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    3.2084    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  1  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
  5  9  2  0  0  0  0
  4  6  2  0  0  0  0
 11 12  1  0  0  0  0
 10 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  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
 15 19  1  0  0  0  0
 14 18  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (529)
7639

>  <Formula> (529)
C13H8N4OS

>  <MolWeight> (529)
268.29382

>  <Cat> (529)
S9668

>  <Name> (529)
PKR-IN-C16

>  <Synonyms> (529)
imoxin, C16, Imidazolo-oxindole PKR inhibitor C16

>  <Target> (529)
Apoptosis related,eIF,Interleukins,PKR

>  <Form> (529)
Free Base

>  <CAS> (529)
608512-97-6

>  <URL> (529)
http://www.selleckchem.com/products/pkr-in-c16.html

$$$$

csChFnd80/04092414132D

 63 62  0  0  0  0  0  0  0  0999 V2000
   20.6118   13.3003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9745   12.6003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1869   10.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8244   11.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620   14.7003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3994    8.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6742   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8866   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4616   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9489   16.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1613   17.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0990   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4002    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
    3.6374    9.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7620    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374   10.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2492   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9745    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3115   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7365   14.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3739   19.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0368   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9745    8.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5240   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7365   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3739   21.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3994   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1869   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3994   11.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8244   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1869    9.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5863   21.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 55  1  0  0  0  0
  1 58  1  0  0  0  0
  2 56  1  0  0  0  0
  2 59  1  0  0  0  0
  3 57  1  0  0  0  0
  3 60  1  0  0  0  0
  4 58  2  0  0  0  0
  5 59  2  0  0  0  0
  6 60  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
  9 21  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 11 31  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  1  0  0  0  0
 17 27  1  0  0  0  0
 18 20  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 35  1  0  0  0  0
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 25 37  1  0  0  0  0
 26 38  1  0  0  0  0
 27 39  1  0  0  0  0
 28 40  1  0  0  0  0
 29 41  1  0  0  0  0
 30 42  1  0  0  0  0
 31 43  1  0  0  0  0
 32 44  1  0  0  0  0
 33 45  1  0  0  0  0
 34 46  1  0  0  0  0
 35 51  1  0  0  0  0
 36 52  1  0  0  0  0
 37 47  1  0  0  0  0
 38 48  1  0  0  0  0
 39 49  1  0  0  0  0
 40 50  1  0  0  0  0
 41 53  1  0  0  0  0
 42 54  1  0  0  0  0
 43 58  1  0  0  0  0
 44 59  1  0  0  0  0
 45 60  1  0  0  0  0
 46 47  2  0  0  0  0
 48 61  1  0  0  0  0
 49 62  1  0  0  0  0
 50 63  1  0  0  0  0
 51 53  2  0  0  0  0
 52 54  2  0  0  0  0
 55 56  1  0  0  0  0
 55 57  1  0  0  0  0
M  END
>  <Mol_ID> (530)
7677

>  <Formula> (530)
C57H104O6

>  <MolWeight> (530)
885.43206

>  <Cat> (530)
S3590

>  <Name> (530)
Triolein

>  <Synonyms> (530)
N/A

>  <Target> (530)
Interleukins,MMP,ROS

>  <Form> (530)
Free Base

>  <CAS> (530)
122-32-7

>  <URL> (530)
http://www.selleckchem.com/products/triolein.html

$$$$

csChFnd80/04092414132D

 31 35  0  0  0  0  0  0  0  0999 V2000
    5.1544    4.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1544    3.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3668    2.6867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792    3.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792    4.7867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3668    5.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9107    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7336    4.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9107    5.2193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9419    2.6867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3433    1.6226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7127    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1454    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6495    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0419    2.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6113    3.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5709    4.4413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3584    3.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    3.2561    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.3719    4.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7172    5.8336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6  5  1  0  0  0  0
  4  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 10 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 10  1  0  0  0  0
 19 23  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 28 30  1  0  0  0  0
 17 31  1  1  0  0  0
M  END
>  <Mol_ID> (531)
7678

>  <Formula> (531)
C21H22F2N6O2

>  <MolWeight> (531)
428.4351864

>  <Cat> (531)
S5860

>  <Name> (531)
Larotrectinib

>  <Synonyms> (531)
Vitrakvi, LOXO-101, ARRY-470

>  <Target> (531)
Trk receptor

>  <Form> (531)
Free Base

>  <CAS> (531)
1223403-58-4

>  <URL> (531)
http://www.selleckchem.com/products/larotrectinib.html

$$$$

csChFnd80/04092414132D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.2248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    6.5836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8206    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3579    2.5268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8206    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3579    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6082    4.9001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4619    6.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    5.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5230    7.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8206    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3459    8.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5612    9.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5993   11.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1749    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9916   11.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  9  1  0  0  0  0
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  5 22  1  0  0  0  0
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  6 21  2  0  0  0  0
  7 18  1  0  0  0  0
  7 22  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 23  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (532)
7696

>  <Formula> (532)
C16H16N6O

>  <MolWeight> (532)
308.33784

>  <Cat> (532)
S3515

>  <Name> (532)
Benpyrine racemate

>  <Synonyms> (532)
(Rac)-Benpyrine

>  <Target> (532)
TNF-alpha

>  <Form> (532)
Free Base

>  <CAS> (532)
1333714-43-4

>  <URL> (532)
http://www.selleckchem.com/products/benpyrine-racemate.html

$$$$

csChFnd80/04092414132D

 40 41  0  0  0  0  0  0  0  0999 V2000
    9.6995   11.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4133   12.5627    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0133   12.5627    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 21  1  0  0  0  0
  5 25  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 23  1  0  0  0  0
  9 27  1  0  0  0  0
 10 27  1  0  0  0  0
 10 35  2  0  0  0  0
 11 31  1  0  0  0  0
 11 35  1  0  0  0  0
 12 27  2  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  1  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  0  0  0  0
 28 31  1  0  0  0  0
 28 34  2  0  0  0  0
 31 36  2  0  0  0  0
 34 37  1  0  0  0  0
 35 38  1  0  0  0  0
 36 39  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (533)
7708

>  <Formula> (533)
C28H38Cl3N5O3S

>  <MolWeight> (533)
631.05702

>  <Cat> (533)
S4967

>  <Name> (533)
Ceritinib dihydrochloride

>  <Synonyms> (533)
Zykadia, LDK378 dihydrochloride

>  <Target> (533)
ALK,IGF-1R,Serine/threonin kinase

>  <Form> (533)
Dihydrochloride

>  <CAS> (533)
1380575-43-8

>  <URL> (533)
http://www.selleckchem.com/products/ceritinib-dihydrochloride.html

$$$$

csChFnd80/04092414132D

 31 33  0  0  0  0  0  0  0  0999 V2000
   13.6674    4.6874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    8.8874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9587    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    6.0874    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    4.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    5.1584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8770    6.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    1.8874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    1.8874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    5.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    6.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    5.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1138    4.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    4.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    6.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8176    4.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6052    2.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    3.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    6.0874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0300    2.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549    6.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    6.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6674    6.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549    8.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8798    6.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6674    8.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8798    8.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 22  1  0  0  0  0
 23  5  1  6  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 18  2  0  0  0  0
  9 21  2  0  0  0  0
  9 24  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  2  0  0  0  0
 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> (534)
7711

>  <Formula> (534)
C21H23Cl3FN5O

>  <MolWeight> (534)
486.7976232

>  <Cat> (534)
S5190

>  <Name> (534)
Crizotinib hydrochloride

>  <Synonyms> (534)
Xalkori, PF-02341066 hydrochloride

>  <Target> (534)
ALK,Autophagy,c-Met,ROS1

>  <Form> (534)
Hydrochloride

>  <CAS> (534)
1415560-69-8

>  <URL> (534)
http://www.selleckchem.com/products/crizotinib-hydrochloride.html

$$$$

csChFnd80/04092414132D

 32 36  0  0  0  0  0  0  0  0999 V2000
   11.4872    4.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8873    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2455    4.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0052    6.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3872    3.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2455    2.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7872    3.6372    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0701    7.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    5.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    4.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    2.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5051    8.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4872    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6081    5.0372    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
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 32  1  0  0  0  0
  5 28  2  0  0  0  0
  6 30  2  0  0  0  0
  6 31  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 16  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 18  2  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 25  2  0  0  0  0
 17 26  1  0  0  0  0
 19 21  2  0  0  0  0
 20 27  2  0  0  0  0
 20 28  1  0  0  0  0
 21 24  1  0  0  0  0
 21 29  1  0  0  0  0
 22 24  2  0  0  0  0
 25 30  1  0  0  0  0
 26 31  2  0  0  0  0
M  END
>  <Mol_ID> (535)
7726

>  <Formula> (535)
C26H25N5O

>  <MolWeight> (535)
423.5096

>  <Cat> (535)
S3231

>  <Name> (535)
UCB-9260

>  <Synonyms> (535)
N/A

>  <Target> (535)
NF-¦ÊB,TNF-alpha

>  <Form> (535)
Free Base

>  <CAS> (535)
1515888-53-5

>  <URL> (535)
http://www.selleckchem.com/products/ucb-9260.html

$$$$

csChFnd80/04092414132D

 26 31  0  0  0  0  0  0  0  0999 V2000
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   14.6293    2.5752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6293    0.3220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3597    2.1777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5099    2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3313    0.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1685    2.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7408    1.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5047    0.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1500    2.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  2 19  1  0  0  0  0
  2 21  1  0  0  0  0
  3 24  1  0  0  0  0
  3 26  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 16 17  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  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (536)
7767

>  <Formula> (536)
C21H27NO4

>  <MolWeight> (536)
357.44338

>  <Cat> (536)
S3479

>  <Name> (536)
R243

>  <Synonyms> (536)
N/A

>  <Target> (536)
CCR

>  <Form> (536)
Free Base

>  <CAS> (536)
688352-84-3

>  <URL> (536)
http://www.selleckchem.com/products/r243.html

$$$$

csChFnd80/04092414132D

 26 27  0  0  0  0  0  0  0  0999 V2000
   12.1435    6.2852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2028    0.0078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2036    4.1751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9857    6.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    4.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3540    4.1868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8484    0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9857    4.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  2  0  0  0  0
  2 22  1  0  0  0  0
  3 24  1  0  0  0  0
  4 24  2  0  0  0  0
  5 26  1  0  0  0  0
  6 26  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 24  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
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 22 25  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (537)
7778

>  <Formula> (537)
C17H15N3O6

>  <MolWeight> (537)
357.3175

>  <Cat> (537)
S4842

>  <Name> (537)
Balsalazide

>  <Synonyms> (537)
Colazal, Giazo

>  <Target> (537)
Immunology & Inflammation related,Interleukins,STAT

>  <Form> (537)
Free Base

>  <CAS> (537)
80573-04-2

>  <URL> (537)
http://www.selleckchem.com/products/balsalazide.html

$$$$

csChFnd80/04092414132D

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4653    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3146    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.2650    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.2653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    6.8653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0248    6.8653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.4650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9743    6.8645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.6652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.6652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    3.3646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.7643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3 21  1  0  0  0  0
  4 27  1  0  0  0  0
  5 27  1  0  0  0  0
  6 27  1  0  0  0  0
  7 18  1  0  0  0  0
  7 28  1  0  0  0  0
  8 26  2  0  0  0  0
  9 33  2  0  0  0  0
 10 14  1  0  0  0  0
 10 26  1  0  0  0  0
 11 16  1  0  0  0  0
 11 26  1  0  0  0  0
 12 30  2  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 17  2  0  0  0  0
 14 19  1  0  0  0  0
 15 17  1  0  0  0  0
 15 20  2  0  0  0  0
 15 27  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  2  0  0  0  0
 20 25  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 28 29  2  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (538)
7779

>  <Formula> (538)
C21H16Cl2F4N4O3

>  <MolWeight> (538)
519.2763528

>  <Cat> (538)
S4947

>  <Name> (538)
Regorafenib Hydrochloride

>  <Synonyms> (538)
Stivarga, BAY 73-4506 hydrochloride

>  <Target> (538)
c-Kit,c-RET,PDGFR,Raf,VEGFR

>  <Form> (538)
Hydrochloride

>  <CAS> (538)
835621-07-3

>  <URL> (538)
http://www.selleckchem.com/products/regorafenib-hydrochloride.html

$$$$

csChFnd80/04092414132D

 31 33  0  0  0  0  0  0  0  0999 V2000
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   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (539)
7787

>  <Formula> (539)
C27H31NO3

>  <MolWeight> (539)
417.53994

>  <Cat> (539)
S3449

>  <Name> (539)
GSK5182

>  <Synonyms> (539)
N/A

>  <Target> (539)
Estrogen/progestogen Receptor

>  <Form> (539)
Free Base

>  <CAS> (539)
877387-37-6

>  <URL> (539)
http://www.selleckchem.com/products/gsk5182.html

$$$$

csChFnd80/04092414132D

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7829

>  <Formula> (540)
C24H25N7O5

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491.4992

>  <Cat> (540)
S9779

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>  <Synonyms> (540)
N/A

>  <Target> (540)
FLT3,IRAK

>  <Form> (540)
Free Base

>  <CAS> (540)
1801344-14-8

>  <URL> (540)
http://www.selleckchem.com/products/ca-4948.html

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>  <Cat> (541)
E0008

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Atractylodin

>  <Synonyms> (541)
Atractydin

>  <Target> (541)
Interleukins

>  <Form> (541)
Free Base

>  <CAS> (541)
55290-63-6

>  <URL> (541)
http://www.selleckchem.com/products/atractylodin.html

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csChFnd80/04092414132D

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M  END
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7857

>  <Formula> (542)
C16H24N2O4

>  <MolWeight> (542)
308.37276

>  <Cat> (542)
S0292

>  <Name> (542)
MSX-127

>  <Synonyms> (542)
NSC23026

>  <Target> (542)
CXCR

>  <Form> (542)
Free Base

>  <CAS> (542)
6616-56-4

>  <URL> (542)
http://www.selleckchem.com/products/msx-127.html

$$$$

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>  <Formula> (543)
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>  <MolWeight> (543)
514.61844

>  <Cat> (543)
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>  <Synonyms> (543)
N/A

>  <Target> (543)
CXCR

>  <Form> (543)
Free Base

>  <CAS> (543)
4051-59-6

>  <URL> (543)
http://www.selleckchem.com/products/msx-130.html

$$$$

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    4.8538    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2962    6.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3956    0.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    6.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5018    5.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7594    7.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6924    8.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5037    6.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3006    3.5265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6798    1.4269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  7  3  1  1  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  1  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 16  1  6  0  0  0
  8 13  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  1  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 22  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 34  3  0  0  0  0
 23 30  1  0  0  0  0
 24 31  2  0  0  0  0
 25 28  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 32  1  0  0  0  0
 27 33  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  1  0  0  0  0
  8 35  1  1  0  0  0
  6 36  1  6  0  0  0
M  END
>  <Mol_ID> (544)
7865

>  <Formula> (544)
C30H32F2O2

>  <MolWeight> (544)
462.5706864

>  <Cat> (544)
S0472

>  <Name> (544)
EC330

>  <Synonyms> (544)
N/A

>  <Target> (544)
Interleukins

>  <Form> (544)
Free Base

>  <CAS> (544)
2016795-77-8

>  <URL> (544)
http://www.selleckchem.com/products/ec330.html

$$$$

csChFnd80/04092414132D

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   19.3771    5.6287    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.8656    7.5379    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.4680    5.1172    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2675    0.0102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0571    0.7090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9564    7.0263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6882    2.8054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1119    4.2171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    2.8054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4778    2.1066    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6835    4.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9027    2.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8965    4.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1157    2.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2675    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4778    0.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3223    4.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0571    2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3184    6.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5376    4.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5314    7.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7506    4.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7461    6.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    0.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    2.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2073    2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1668    6.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 30  1  0  0  0  0
  3 30  1  0  0  0  0
  4 30  1  0  0  0  0
  5 17  1  0  0  0  0
  6 19  2  0  0  0  0
  7 24  1  0  0  0  0
  7 30  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 25  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 31  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (545)
7887

>  <Formula> (545)
C21H23ClF3N3O3

>  <MolWeight> (545)
457.8738296

>  <Cat> (545)
S3544

>  <Name> (545)
VBIT-4

>  <Synonyms> (545)
N/A

>  <Target> (545)
IFN,VDAC

>  <Form> (545)
Free Base

>  <CAS> (545)
2086257-77-2

>  <URL> (545)
http://www.selleckchem.com/products/vbit-4.html

$$$$

csChFnd80/04092414132D

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.4011    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2668    2.3559    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4668    2.3559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4668    4.7808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4898    3.4886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4898    1.2233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668    4.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4594    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4594    6.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    3.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    6.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1668    3.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5668    3.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8212    3.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6668    2.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8212    1.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 14  2  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 17  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (546)
7904

>  <Formula> (546)
C12H22ClN3OS

>  <MolWeight> (546)
291.84058

>  <Cat> (546)
S6078

>  <Name> (546)
ICCB-19 hydrochloride

>  <Synonyms> (546)
N/A

>  <Target> (546)
Autophagy,RIP kinase

>  <Form> (546)
Hydrochloride

>  <CAS> (546)
1803605-68-6

>  <URL> (546)
http://www.selleckchem.com/products/iccb-19-hydrochloride.html

$$$$

csChFnd80/04092414132D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.5168    5.6878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9637    6.3939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7582    8.8549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5095    9.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    3.9267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9313    7.3370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    1.6733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3637    6.3914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1846    5.2574    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1885    7.5227    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5192    7.0878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6534    7.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    2.8001    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
    9.0655    8.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3434    7.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
 11  2  1  6  0  0  0
 13  3  1  6  0  0  0
  4 15  2  0  0  0  0
 12  5  1  1  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 15  1  0  0  0  0
  6 19  1  0  0  0  0
  7 17  2  0  0  0  0
  7 18  1  0  0  0  0
  8 16  2  0  0  0  0
  8 21  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 16 18  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (547)
7914

>  <Formula> (547)
C12H16N6O4

>  <MolWeight> (547)
308.29324

>  <Cat> (547)
S6347

>  <Name> (547)
5'-N-Ethylcarboxamidoadenosine (NECA)

>  <Synonyms> (547)
5'-(N-Ethylcarboxamido)adenosine, Adenosine-5'N-ethylcarboxamide, 5'-Ethylcarboxamidoadenosine

>  <Target> (547)
Adenosine Receptor,CD markers,Interleukins,JNK,p38 MAPK,TNF-alpha

>  <Form> (547)
Free Base

>  <CAS> (547)
35920-39-9

>  <URL> (547)
http://www.selleckchem.com/products/5-n-ethylcarboxamidoadenosine.html

$$$$

csChFnd80/04092414132D

 29 31  0  0  0  0  0  0  0  0999 V2000
    8.4932    4.8087    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9449   14.7486    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3449   13.3486    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5449   13.3486    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    2.1486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    0.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    5.6486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    0.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    2.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    3.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    3.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    4.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    4.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    2.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    7.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    7.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    2.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    9.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    9.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    9.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573   11.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325   11.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449   11.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449   13.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
  4 29  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  6 19  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (548)
7941

>  <Formula> (548)
C21H22ClF3N2O2

>  <MolWeight> (548)
426.8597896

>  <Cat> (548)
S7538

>  <Name> (548)
RS-102895 Hydrochloride

>  <Synonyms> (548)
RS-102895 HCl

>  <Target> (548)
5-HT Receptor,Adrenergic Receptor,CCR

>  <Form> (548)
Hydrochloride

>  <CAS> (548)
1173022-16-6

>  <URL> (548)
http://www.selleckchem.com/products/rs-102895-hydrochloride.html

$$$$

csChFnd80/04092414132D

 34 37  0  0  0  0  0  0  0  0999 V2000
   12.1373    3.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4160    4.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4268    5.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2120    6.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0019    5.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0066    4.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2074    7.8156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9926    8.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7825    7.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7592    6.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1373    2.2144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0407    3.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5510    5.7427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3378    6.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3152    7.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1595    8.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9406    7.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9275    6.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1334    5.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1726    9.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   10.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478   10.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6645    8.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.8012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.7084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9419    4.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4200    3.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5650    2.2680    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.6242    3.5795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8324    4.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3314    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9684    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 12 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 12  1  0  0  0  0
 12 30  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 12  1  0  0  0  0
 11 33  1  0  0  0  0
M  END
>  <Mol_ID> (549)
7942

>  <Formula> (549)
C26H26ClN3O4

>  <MolWeight> (549)
479.95534

>  <Cat> (549)
S7647

>  <Name> (549)
Lucitanib (E3810) hydrochloride

>  <Synonyms> (549)
AL3810

>  <Target> (549)
FGFR,VEGFR

>  <Form> (549)
Hydrochloride

>  <CAS> (549)
1058137-23-7

>  <URL> (549)
http://www.selleckchem.com/products/lucitanib.html

$$$$

csChFnd80/04092414132D

 25 28  0  0  0  0  0  0  0  0999 V2000
   13.4266    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0016    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1519    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3643    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1519    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7892    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5768    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7892    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3643    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3643    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5768    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0016    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2140    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2140    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4266    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1519    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9395    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9395    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6879    6.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3643    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6879    9.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195    6.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195    8.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    6.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  1  6  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
 10  3  1  1  0  0  0
  3 17  1  0  0  0  0
  4 17  2  0  0  0  0
  4 21  1  0  0  0  0
  5 19  1  0  0  0  0
  5 21  2  0  0  0  0
  6 25  3  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 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (550)
7975

>  <Formula> (550)
C19H23N5O

>  <MolWeight> (550)
337.41882

>  <Cat> (550)
S0008

>  <Name> (550)
IRAK4-IN-1

>  <Synonyms> (550)
Compound 23

>  <Target> (550)
IRAK

>  <Form> (550)
Free Base

>  <CAS> (550)
1820787-94-7

>  <URL> (550)
http://www.selleckchem.com/products/irak4-in-1.html

$$$$

csChFnd80/04092414132D

 37 39  0  0  0  0  0  0  0  0999 V2000
    7.1783    4.3615    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2210    2.9887    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5080    4.7905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9556    5.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142    5.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0199    2.2452    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5725    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3590    3.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8932    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7091    5.5127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8044    4.3186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8261    2.9244    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0199    0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7011    7.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5204    6.1703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5604    4.9549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6249    2.1809    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8689    0.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1435    8.4797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6676    0.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4095    2.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6033    3.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9014    9.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4523    0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1868    2.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3366   10.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3025    9.5235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1444   12.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5296   13.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3590   14.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1353   13.4344    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2640    1.7375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9770    3.6822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8473    1.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8557   12.2761    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 34  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  6  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 35  1  1  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  1  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 36  1  6  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  1  0  0  0
 18 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (551)
7993

>  <Formula> (551)
C25H33NaO8

>  <MolWeight> (551)
484.51449

>  <Cat> (551)
E0177

>  <Name> (551)
Hydrocortisone sodium succinate

>  <Synonyms> (551)
Hydrocortisone 21-hemisuccinate sodium salt

>  <Target> (551)
Glucocorticoid Receptor,Interleukins

>  <Form> (551)
Sodium succinate

>  <CAS> (551)
125-04-2

>  <URL> (551)
http://www.selleckchem.com/products/hydrocortisone-sodium-succinate.html

$$$$

csChFnd80/04092414132D

 37 37  0  0  0  0  0  0  0  0999 V2000
    0.8585    6.3001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7084    6.3001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   14.4791    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.4791    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2835    4.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9209   12.6003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8585    9.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0711   11.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7084   14.7003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7084    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1334    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960   11.2002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7084    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9209    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9209    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1334    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3458    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2835    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960   12.6003    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.0711    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2835    9.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2835   14.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0711    8.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    8.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2835   10.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7084   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4960   15.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0711   16.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960   16.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1334   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3458   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 24  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 30  1  0  0  0  0
  6 36  1  0  0  0  0
  7 27  1  0  0  0  0
  8 29  2  0  0  0  0
  9 30  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 17  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 18  1  0  0  0  0
 21 12  1  1  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 19  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 22  1  0  0  0  0
 21 30  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 31  2  0  0  0  0
 26 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (552)
7999

>  <Formula> (552)
C25H33Cl4N3O5

>  <MolWeight> (552)
597.35862

>  <Cat> (552)
E0314

>  <Name> (552)
JTE-607 Dihydrochloride

>  <Synonyms> (552)
N/A

>  <Target> (552)
Interleukins,TNF-alpha

>  <Form> (552)
Dihydrochloride

>  <CAS> (552)
188791-09-5

>  <URL> (552)
http://www.selleckchem.com/products/jte-607-dihydrochloride.html

$$$$

csChFnd80/04092414132D

 41 44  0  0  0  0  0  0  0  0999 V2000
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    4.8498    6.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.7659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9118   14.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368   17.1659    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   14.3659    0.0000 Cl  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
 12 13  1  0  0  0  0
  9 12  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 16 19  1  6  0  0  0
  7 14  1  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 27  2  0  0  0  0
 27 28  1  0  0  0  0
 23 28  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 30 35  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 31 36  1  0  0  0  0
 33 40  1  0  0  0  0
 34 41  1  0  0  0  0
 29 30  1  0  0  0  0
 25 29  1  0  0  0  0
 22 23  1  0  0  0  0
 10 22  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (553)
8008

>  <Formula> (553)
C29H35ClFN7O3

>  <MolWeight> (553)
584.0847032

>  <Cat> (553)
E0368

>  <Name> (553)
Sunvozertinib

>  <Synonyms> (553)
DZD9008

>  <Target> (553)
EGFR

>  <Form> (553)
Free Base

>  <CAS> (553)
2370013-49-1

>  <URL> (553)
http://www.selleckchem.com/products/dzd9008.html

$$$$

csChFnd80/04092414132D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.9449    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3449    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5449    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7325   14.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5201   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 28  1  0  0  0  0
  2 28  1  0  0  0  0
  3 28  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5 18  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (554)
8045

>  <Formula> (554)
C21H21F3N2O2

>  <MolWeight> (554)
390.3988496

>  <Cat> (554)
S3383

>  <Name> (554)
RS102895

>  <Synonyms> (554)
N/A

>  <Target> (554)
CCR

>  <Form> (554)
Free Base

>  <CAS> (554)
300815-41-2

>  <URL> (554)
http://www.selleckchem.com/products/rs102895.html

$$$$

csChFnd80/04092414132D

 37 40  0  0  0  0  0  0  0  0999 V2000
    3.6247    6.2927    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
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
  2 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 16 17  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 21 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
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
M  END
>  <Mol_ID> (555)
8062

>  <Formula> (555)
C27H23FN4O4S

>  <MolWeight> (555)
518.5593232

>  <Cat> (555)
S6764

>  <Name> (555)
Pamufetinib (TAS-115)

>  <Synonyms> (555)
N/A

>  <Target> (555)
c-Met,VEGFR

>  <Form> (555)
Free Base

>  <CAS> (555)
1190836-34-0

>  <URL> (555)
http://www.selleckchem.com/products/tas-115.html

$$$$

csChFnd80/04092414132D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (556)
8070

>  <Formula> (556)
C21H24ClFN4O3

>  <MolWeight> (556)
434.8916632

>  <Cat> (556)
S7604

>  <Name> (556)
BX471

>  <Synonyms> (556)
ZK811752, BAY 865047, SH T 04268H

>  <Target> (556)
CCR

>  <Form> (556)
Free Base

>  <CAS> (556)
217645-70-0

>  <URL> (556)
http://www.selleckchem.com/products/bx471.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (557)
8072

>  <Formula> (557)
C29H31F3N6O3

>  <MolWeight> (557)
568.5900496

>  <Cat> (557)
S8361

>  <Name> (557)
PF-4136309

>  <Synonyms> (557)
INCB8761, PF-04136309

>  <Target> (557)
CCR

>  <Form> (557)
Free Base

>  <CAS> (557)
857679-55-1

>  <URL> (557)
http://www.selleckchem.com/products/pf-4136309.html

$$$$

csChFnd80/04092414132D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (558)
8107

>  <Formula> (558)
C27H27N5O3

>  <MolWeight> (558)
469.53498

>  <Cat> (558)
E0050

>  <Name> (558)
Seralutinib (GB002)

>  <Synonyms> (558)
PK10571

>  <Target> (558)
PDGFR

>  <Form> (558)
Free Base

>  <CAS> (558)
1619931-27-9

>  <URL> (558)
http://www.selleckchem.com/products/seralutinib-pk10571.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (559)
8114

>  <Formula> (559)
C12H10FNO

>  <MolWeight> (559)
203.2123032

>  <Cat> (559)
E0084

>  <Name> (559)
Fluorofenidone

>  <Synonyms> (559)
AKF-PD

>  <Target> (559)
NADPH-oxidase

>  <Form> (559)
Free Base

>  <CAS> (559)
848353-85-5

>  <URL> (559)
http://www.selleckchem.com/products/fluorofenidone.html

$$$$

csChFnd80/04092414132D

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8126

>  <Formula> (560)
C21H18O11

>  <MolWeight> (560)
446.36102

>  <Cat> (560)
E0130

>  <Name> (560)
Apigenin-7-O-glucuronide

>  <Synonyms> (560)
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>  <Target> (560)
TNF-alpha

>  <Form> (560)
Free Base

>  <CAS> (560)
29741-09-1

>  <URL> (560)
http://www.selleckchem.com/products/apigenin-7-o-glucuronide.html

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csChFnd80/04092414132D

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8150

>  <Formula> (561)
C25H27N3O3

>  <MolWeight> (561)
417.50018

>  <Cat> (561)
S9738

>  <Name> (561)
RS504393

>  <Target> (561)
CCR

>  <Form> (561)
free base

>  <CAS> (561)
300816-15-3

>  <URL> (561)
http://www.selleckchem.com/products/rs504393.html

$$$$

csChFnd80/04092414132D

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8155

>  <Formula> (562)
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>  <MolWeight> (562)
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HM43239

>  <Synonyms> (562)
N/A

>  <Target> (562)
FLT3

>  <Form> (562)
free base

>  <CAS> (562)
2569527-64-4

>  <URL> (562)
http://www.selleckchem.com/products/hm43239.html

$$$$

csChFnd80/04092414132D

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8211

>  <Formula> (563)
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227.28166

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S0291

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SU5208

>  <Synonyms> (563)
3-[(Thien-2-yl)methylene]-2-indolinone

>  <Target> (563)
VEGFR

>  <Form> (563)
free base

>  <CAS> (563)
62540-08-3

>  <URL> (563)
http://www.selleckchem.com/products/su5208.html

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csChFnd80/04092414132D

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8218

>  <Formula> (564)
C10H7NO4

>  <MolWeight> (564)
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>  <Cat> (564)
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>  <Name> (564)
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>  <Synonyms> (564)
N/A

>  <Target> (564)
EGFR

>  <Form> (564)
free base

>  <CAS> (564)
122520-79-0

>  <URL> (564)
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 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (565)
8231

>  <Formula> (565)
C16H10FN3O2

>  <MolWeight> (565)
295.2679032

>  <Cat> (565)
S0550

>  <Name> (565)
5'-Fluoroindirubinoxime

>  <Synonyms> (565)
5'-FIO, compound 13

>  <Target> (565)
FLT3

>  <Form> (565)
free base

>  <CAS> (565)
861214-33-7

>  <URL> (565)
http://www.selleckchem.com/products/5-fluoroindirubinoxime.html

$$$$

csChFnd80/04092414132D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    9.6997    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    4.9003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    2.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 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
  9 18  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
>  <Mol_ID> (566)
8241

>  <Formula> (566)
C16H14N2O2

>  <MolWeight> (566)
266.29456

>  <Cat> (566)
S0763

>  <Name> (566)
Tyrphostin AG1433

>  <Synonyms> (566)
SU1433, AG1433

>  <Target> (566)
PDGFR,VEGFR

>  <Form> (566)
free base

>  <CAS> (566)
168835-90-3

>  <URL> (566)
http://www.selleckchem.com/products/tyrphostin-ag1433.html

$$$$

csChFnd80/04092414132D

 17 18  0  0  0  0  0  0  0  0999 V2000
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   10.8823    3.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  3  6  1  0  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
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 10 15  2  0  0  0  0
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 11 17  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (567)
8287

>  <Formula> (567)
C11H8Cl2N2O2

>  <MolWeight> (567)
271.09942

>  <Cat> (567)
S3540

>  <Name> (567)
UTL-5g

>  <Synonyms> (567)
GBL-5g

>  <Target> (567)
TNF-alpha

>  <Form> (567)
free base

>  <CAS> (567)
646530-37-2

>  <URL> (567)
http://www.selleckchem.com/products/utl-5g.html

$$$$

csChFnd80/04092414132D

 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
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  1  2  1  0  0  0  0
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  3 12  1  0  0  0  0
 21 22  1  0  0  0  0
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 27 28  1  0  0  0  0
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 25 30  2  0  0  0  0
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A   35
(E)
M  END
>  <Mol_ID> (568)
8290

>  <Formula> (568)
C28H27N3O3R

>  <MolWeight> (568)
453.53228

>  <Cat> (568)
S3552

>  <Name> (568)
SIS3

>  <Synonyms> (568)
N/A

>  <Target> (568)
TGF-beta/Smad

>  <Form> (568)
free base

>  <CAS> (568)
1009104-85-1

>  <URL> (568)
http://www.selleckchem.com/products/sis3.html

$$$$

csChFnd80/04092414132D

 48 52  0  0  0  0  0  0  0  0999 V2000
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 47 48  1  0  0  0  0
M  END
>  <Mol_ID> (569)
8316

>  <Formula> (569)
C34H36Cl2N8O4

>  <MolWeight> (569)
691.60684

>  <Cat> (569)
S7715

>  <Name> (569)
FIIN-3

>  <Target> (569)
FGFR

>  <Form> (569)
free base

>  <CAS> (569)
1637735-84-2

>  <URL> (569)
http://www.selleckchem.com/products/fiin-3.html

$$$$

csChFnd80/04092414132D

 35 38  0  0  0  0  0  0  0  0999 V2000
   13.3367    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7944    3.1246    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
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9739    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (570)
8319

>  <Formula> (570)
C25H20F3N5O2

>  <MolWeight> (570)
479.4538096

>  <Cat> (570)
E0340

>  <Name> (570)
CSF1R-IN-1

>  <Synonyms> (570)
N/A

>  <Target> (570)
CSF-1R

>  <Form> (570)
free base

>  <CAS> (570)
2095849-04-8

>  <URL> (570)
http://www.selleckchem.com/products/csf1r-in-1.html

$$$$

csChFnd80/04092414132D

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2000    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
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  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 13  8  1  0  0  0  0
  7 14  2  0  0  0  0
 11 15  2  0  0  0  0
  1 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 22 23  1  0  0  0  0
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 18 29  2  0  0  0  0
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M  END
>  <Mol_ID> (571)
8335

>  <Formula> (571)
C22H21ClN2O4S

>  <MolWeight> (571)
444.93114

>  <Cat> (571)
E0395

>  <Name> (571)
Vercirnon

>  <Synonyms> (571)
GSK-1605786, CCX-282, Traficet-EN

>  <Target> (571)
CCR

>  <Form> (571)
free base

>  <CAS> (571)
698394-73-9

>  <URL> (571)
http://www.selleckchem.com/products/vercirnon.html

$$$$

csChFnd80/04092414132D

 34 38  0  0  0  0  0  0  0  0999 V2000
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  1 10  2  0  0  0  0
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 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 22  1  0  0  0  0
 11 16  1  0  0  0  0
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 29 34  1  0  0  0  0
 23 32  1  0  0  0  0
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M  END
>  <Mol_ID> (572)
8361

>  <Formula> (572)
C27H41N5O2

>  <MolWeight> (572)
467.64674

>  <Cat> (572)
E0486

>  <Name> (572)
C-021

>  <Target> (572)
CCR

>  <Form> (572)
free base

>  <CAS> (572)
864289-85-0

>  <URL> (572)
http://www.selleckchem.com/products/c-021.html

$$$$

csChFnd80/04092414132D

 21 23  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
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  1  9  1  0  0  0  0
 10 11  2  0  0  0  0
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  4 10  1  0  0  0  0
 13 14  2  0  0  0  0
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 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 16  2  0  0  0  0
 18 15  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (573)
8375

>  <Formula> (573)
C14H10N4O3

>  <MolWeight> (573)
282.2542

>  <Cat> (573)
E0533

>  <Name> (573)
IRAK-4 protein kinase inhibitor 2

>  <Target> (573)
IRAK

>  <Form> (573)
free base

>  <CAS> (573)
301675-24-1

>  <URL> (573)
http://www.selleckchem.com/products/irak-4-protein-kinase-inhibitor-2.html

$$$$

csChFnd80/04092414132D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (574)
8376

>  <Formula> (574)
C15H11BrN2O

>  <MolWeight> (574)
315.16464

>  <Cat> (574)
E0534

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WAY-340935

>  <Synonyms> (574)
VEGFR2-IN-2

>  <Target> (574)
VEGFR

>  <Form> (574)
free base

>  <CAS> (574)
737818-56-3

>  <URL> (574)
http://www.selleckchem.com/products/way-340935.html

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csChFnd80/04092414132D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (575)
8422

>  <Formula> (575)
C12H11N3O4S

>  <MolWeight> (575)
293.29844

>  <Cat> (575)
E0794

>  <Name> (575)
MID-1

>  <Target> (575)
IGF-1R

>  <Form> (575)
free base

>  <CAS> (575)
312608-54-1

>  <URL> (575)
http://www.selleckchem.com/products/mid-1.html

$$$$

csChFnd80/04092414132D

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A   42
.
M  END
>  <Mol_ID> (576)
8431

>  <Formula> (576)
C29H34N6O4RS2

>  <MolWeight> (576)
594.74806

>  <Cat> (576)
E0814

>  <Name> (576)
Masitinib mesylate

>  <Synonyms> (576)
AB-1010 mesylate

>  <Target> (576)
c-Kit,FAK,FGFR,PDGFR,Src

>  <Form> (576)
Mesylate

>  <CAS> (576)
1048007-93-7

>  <URL> (576)
https://www.selleckchem.com/products/masitinib-mesylate.html

$$$$

csChFnd80/04092414132D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (577)
8435

>  <Formula> (577)
C24H18ClFN4O2

>  <MolWeight> (577)
448.8767232

>  <Cat> (577)
E0822

>  <Name> (577)
AST-1306

>  <Synonyms> (577)
Allitinib

>  <Target> (577)
EGFR

>  <Form> (577)
free base

>  <CAS> (577)
897383-62-9

>  <URL> (577)
http://www.selleckchem.com/products/ast-1306.html

$$$$

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  6 18  1  0  0  0  0
  7 22  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (578)
8440

>  <Formula> (578)
C21H22ClFN4O3

>  <MolWeight> (578)
432.8757832

>  <Cat> (578)
E0833

>  <Name> (578)
O-Demethyl-Gefitinib

>  <Target> (578)
EGFR

>  <Form> (578)
free base

>  <CAS> (578)
847949-49-9

>  <URL> (578)
http://www.selleckchem.com/products/o-demethyl-gefitinib.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (579)
8447

>  <Formula> (579)
C274H411N65O81S6

>  <MolWeight> (579)
6103.97204

>  <Cat> (579)
E0939

>  <Name> (579)
Insulin Degludec

>  <Target> (579)
IGF-1R

>  <Form> (579)
free base

>  <CAS> (579)
844439-96-9

>  <URL> (579)
http://www.selleckchem.com/products/insulin-degludec.html

$$$$

csChFnd80/04092414132D

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439144-66-8

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8456

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2254805-62-2

>  <URL> (581)
http://www.selleckchem.com/products/zx-29.html

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csChFnd80/04092414132D

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8491

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C17H29NO4

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1239600-18-0

>  <URL> (582)
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 24 26  0  0  0  0  0  0  0  0999 V2000
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8532

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>  <MolWeight> (583)
331.28022

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E2390

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Trk receptor

>  <Form> (583)
free base

>  <CAS> (583)
2412056-27-8

>  <URL> (583)
http://www.selleckchem.com/products/thalidomide-5-nh2-ch2-cooh.html

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csChFnd80/04092414132D

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627518-40-5

>  <URL> (584)
http://www.selleckchem.com/products/jnj-10198409.html

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8553

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PDGFR

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>  <CAS> (585)
68573-24-0

>  <URL> (585)
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  1  6  2  0  0  0  0
  8  9  2  0  0  0  0
  7  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  5 10  1  0  0  0  0
 11 12  1  0  0  0  0
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  8 13  1  0  0  0  0
 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (586)
8566

>  <Formula> (586)
C21H31N5O2

>  <MolWeight> (586)
385.50314

>  <Cat> (586)
E2647

>  <Name> (586)
AZ1495

>  <Target> (586)
IRAK

>  <Form> (586)
free base

>  <CAS> (586)
2196204-23-4

>  <URL> (586)
http://www.selleckchem.com/products/az1495.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (587)
8573

>  <Formula> (587)
C15H11NO3

>  <MolWeight> (587)
253.25274

>  <Cat> (587)
E2664

>  <Name> (587)
Cridanimod

>  <Target> (587)
STING

>  <Form> (587)
free base

>  <CAS> (587)
38609-97-1

>  <URL> (587)
http://www.selleckchem.com/products/cridanimod.html

$$$$

csChFnd80/04092414132D

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>  <Mol_ID> (588)
8618

>  <Formula> (588)
C21H42N6O5

>  <MolWeight> (588)
458.59538

>  <Cat> (588)
P1164

>  <Name> (588)
LSKL, Inhibitor of Thrombospondin (TSP-1)

>  <Target> (588)
TGF-beta/Smad

>  <Form> (588)
free base

>  <CAS> (588)
283609-79-0

>  <URL> (588)
http://www.selleckchem.com/products/lskl--Inhibitor-of-thrombospondin--tsp-1--tfa-.html

$$$$
>  <Mol_ID> (589)
8621

>  <Cat> (589)
P1167

>  <Name> (589)
pm26TGF-¦Â1 peptide (TFA)

>  <Target> (589)
TGF-beta/Smad

>  <Form> (589)
free base

>  <URL> (589)
http://www.selleckchem.com/products/pm26tgf-beta1-peptide--tfa-.html

$$$$

csChFnd80/04092414132D

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100102  1  0  0  0  0
101103  1  0  0  0  0
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M  END
>  <Mol_ID> (590)
8624

>  <Formula> (590)
C68H109N17O22S2

>  <MolWeight> (590)
1580.82376

>  <Cat> (590)
P1218

>  <Name> (590)
Disitertide(P144)

>  <Target> (590)
PI3K,TGF-beta/Smad

>  <Form> (590)
free base

>  <CAS> (590)
272105-42-7

>  <URL> (590)
http://www.selleckchem.com/products/disitertide.html

$$$$

csChFnd80/04092414132D

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 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (591)
8645

>  <Formula> (591)
C33H54N12O15

>  <MolWeight> (591)
858.85326

>  <Cat> (591)
P1137

>  <Name> (591)
Thymulin

>  <Synonyms> (591)
FTS

>  <Target> (591)
CCR,Interleukins

>  <Form> (591)
free base

>  <CAS> (591)
63958-90-7

>  <URL> (591)
http://www.selleckchem.com/products/thymulin.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (592)
8689

>  <Formula> (592)
C26H27FN10

>  <MolWeight> (592)
498.5579832

>  <Cat> (592)
S8553

>  <Name> (592)
Avapritinib (BLU-285)

>  <Synonyms> (592)
N/A

>  <Target> (592)
c-Kit,PDGFR

>  <Form> (592)
free base

>  <CAS> (592)
1703793-34-3

>  <URL> (592)
http://www.selleckchem.com/products/blu-285.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (593)
8717

>  <Formula> (593)
C29H34F3N3O6

>  <MolWeight> (593)
577.5919696

>  <Cat> (593)
S8220

>  <Name> (593)
INCB3344

>  <Target> (593)
CCR

>  <Form> (593)
Free base

>  <CAS> (593)
1262238-11-8

>  <URL> (593)
http://www.selleckchem.com/products/incb3344.html

$$$$

csChFnd80/04092414132D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (594)
8718

>  <Formula> (594)
C21H18N4OS

>  <MolWeight> (594)
374.45882

>  <Cat> (594)
S8224

>  <Name> (594)
PF-3644022

>  <Synonyms> (594)
N/A

>  <Target> (594)
MAPKAPK2,TNF-alpha

>  <Form> (594)
Free base

>  <CAS> (594)
1276121-88-0

>  <URL> (594)
http://www.selleckchem.com/products/pf-3644022.html

$$$$

csChFnd80/04092414132D

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>  <Mol_ID> (595)
8723

>  <Formula> (595)
C32H32F3N3O2

>  <MolWeight> (595)
547.6105896

>  <Cat> (595)
S8431

>  <Name> (595)
SPD304

>  <Target> (595)
TNF-alpha

>  <Form> (595)
Free base

>  <CAS> (595)
869998-49-2

>  <URL> (595)
http://www.selleckchem.com/products/spd304.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (596)
8725

>  <Formula> (596)
C27H35N5O2

>  <MolWeight> (596)
461.5991

>  <Cat> (596)
S8524

>  <Name> (596)
Edicotinib(JNJ-40346527)

>  <Target> (596)
CSF-1R

>  <Form> (596)
Free base

>  <CAS> (596)
1142363-52-7

>  <URL> (596)
http://www.selleckchem.com/products/edicotinib.html

$$$$

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M  END
>  <Mol_ID> (597)
8737

>  <Formula> (597)
C47H57ClFN7O8S

>  <MolWeight> (597)
934.5139832

>  <Cat> (597)
S0070

>  <Name> (597)
Gefitinib-based PROTAC 3

>  <Synonyms> (597)
N/A

>  <Target> (597)
EGFR,PROTAC

>  <Form> (597)
Free base

>  <CAS> (597)
2230821-27-7

>  <URL> (597)
http://www.selleckchem.com/products/gefitinib-based-protac-3.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (598)
8757

>  <Formula> (598)
C21H18ClFN4O4

>  <MolWeight> (598)
444.8434232

>  <Cat> (598)
S0437

>  <Name> (598)
SAR-20347

>  <Synonyms> (598)
N/A

>  <Target> (598)
IFN,Interleukins,JAK

>  <Form> (598)
Free base

>  <CAS> (598)
1450881-55-6

>  <URL> (598)
http://www.selleckchem.com/products/sar-20347.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (599)
8761

>  <Formula> (599)
C23H27FN4O4

>  <MolWeight> (599)
442.4832832

>  <Cat> (599)
S0504

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>  <Synonyms> (599)
SU 014813

>  <Target> (599)
c-Kit,PDGFR,VEGFR

>  <Form> (599)
Free base

>  <CAS> (599)
627908-92-3

>  <URL> (599)
http://www.selleckchem.com/products/su14813.html

$$$$

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>  <Mol_ID> (600)
8775

>  <Formula> (600)
C27H29N5O

>  <MolWeight> (600)
439.55206

>  <Cat> (600)
S1034

>  <Name> (600)
NVP-AEW541

>  <Synonyms> (600)
AEW541

>  <Target> (600)
IGF-1R

>  <Form> (600)
Free base

>  <CAS> (600)
475489-16-8

>  <URL> (600)
http://www.selleckchem.com/products/NVP-AEW541.html

$$$$

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>  <Mol_ID> (601)
8781

>  <Formula> (601)
C32H44F3N5O7

>  <MolWeight> (601)
667.7162696

>  <Cat> (601)
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>  <Name> (601)
Vicriviroc Malate

>  <Synonyms> (601)
SCH 417690 (SCH-D) Malate

>  <Target> (601)
CCR

>  <Form> (601)
Malate

>  <CAS> (601)
541503-81-5

>  <URL> (601)
http://www.selleckchem.com/products/Vicriviroc-Malate.html

$$$$

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M  END
>  <Mol_ID> (602)
8782

>  <Formula> (602)
C26H22FN7O

>  <MolWeight> (602)
467.4975832

>  <Cat> (602)
S2211

>  <Name> (602)
AG-13958

>  <Synonyms> (602)
AG-013958

>  <Target> (602)
VEGFR

>  <Form> (602)
Free base

>  <CAS> (602)
319460-94-1

>  <URL> (602)
http://www.selleckchem.com/products/ag-13958.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (603)
8786

>  <Formula> (603)
C27H28ClFN6O

>  <MolWeight> (603)
507.0022232

>  <Cat> (603)
S2733

>  <Name> (603)
AV-412 free base

>  <Synonyms> (603)
MP-412 free base

>  <Target> (603)
EGFR

>  <Form> (603)
Free base

>  <CAS> (603)
451492-95-8

>  <URL> (603)
http://www.selleckchem.com/products/av-412-free-base.html

$$$$

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M  END
>  <Mol_ID> (604)
8798

>  <Formula> (604)
C32H42F3N5O6

>  <MolWeight> (604)
649.7009896

>  <Cat> (604)
S3494

>  <Name> (604)
Vicriviroc maleate

>  <Synonyms> (604)
SCH-417690 maleate, SCH-D maleate

>  <Target> (604)
CCR,HIV Protease

>  <Form> (604)
Maleate

>  <CAS> (604)
599179-03-0

>  <URL> (604)
http://www.selleckchem.com/products/vicriviroc-maleate.html

$$$$

csChFnd80/04092414132D

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>  <Mol_ID> (605)
8802

>  <Formula> (605)
C23H27FN6O3

>  <MolWeight> (605)
454.4972832

>  <Cat> (605)
S3523

>  <Name> (605)
AZD7507

>  <Target> (605)
CSF-1R

>  <Form> (605)
Free base

>  <CAS> (605)
1041852-85-0

>  <URL> (605)
http://www.selleckchem.com/products/azd7507.html

$$$$

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  1  4  2  0  0  0  0
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  7  8  2  0  0  0  0
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 13 14  1  0  0  0  0
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 10 12  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 20 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
  6 18  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
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 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 25 30  2  0  0  0  0
 31 32  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 31 39  1  0  0  0  0
 34 39  2  0  0  0  0
 31 40  1  0  0  0  0
 27 33  1  0  0  0  0
 24 25  1  0  0  0  0
  9 24  1  0  0  0  0
  5  7  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  2  0  0  0  0
 42 45  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  2  0  0  0  0
 47 50  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 52 54  2  0  0  0  0
 52 55  1  0  0  0  0
M  END
>  <Mol_ID> (606)
8814

>  <Formula> (606)
C30H41F3N8O11S3

>  <MolWeight> (606)
842.8837496

>  <Cat> (606)
S5984

>  <Name> (606)
AST5902  trimesylate

>  <Synonyms> (606)
N/A

>  <Target> (606)
Others

>  <Form> (606)
Trimesylate

>  <CAS> (606)
2412155-74-7

>  <URL> (606)
http://www.selleckchem.com/products/ast5902.html

$$$$

csChFnd80/04092414132D

 41 44  0  0  0  0  0  0  0  0999 V2000
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 28 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 34  1  1  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
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 39 40  1  0  0  0  0
 40 35  1  0  0  0  0
M  END
>  <Mol_ID> (607)
8840

>  <Formula> (607)
C30H28Cl2FN5O3

>  <MolWeight> (607)
596.4794232

>  <Cat> (607)
S6897

>  <Name> (607)
Epertinib hydrochloride

>  <Synonyms> (607)
Epertinib HCl, S-222611 hydrochloride, S-222611 HCl

>  <Target> (607)
EGFR,HER2

>  <Form> (607)
Hydrochloride

>  <CAS> (607)
2071195-74-7

>  <URL> (607)
http://www.selleckchem.com/products/epertinib-hydrochloride.html

$$$$

csChFnd80/04092414132D

 28 32  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4599    3.9550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1599    5.1674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9441    5.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0905    4.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 F   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
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 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
  5 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 21  1  0  0  0  0
 21 26  2  0  0  0  0
  2 27  1  0  0  0  0
 24 28  1  1  0  0  0
M  END
>  <Mol_ID> (608)
8854

>  <Formula> (608)
C20H21FN6O

>  <MolWeight> (608)
380.4187432

>  <Cat> (608)
S8636

>  <Name> (608)
Selitrectinib (LOXO-195)

>  <Synonyms> (608)
BAY 2731954

>  <Target> (608)
Trk receptor

>  <Form> (608)
Free base

>  <CAS> (608)
2097002-61-2

>  <URL> (608)
http://www.selleckchem.com/products/loxo-195.html

$$$$

csChFnd80/04092414132D

 39 43  0  0  0  0  0  0  0  0999 V2000
    7.2048   13.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
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 36 32  2  0  0  0  0
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 19 38  1  0  0  0  0
 27 39  1  0  0  0  0
M  END
>  <Mol_ID> (609)
8859

>  <Formula> (609)
C27H32FN9O2

>  <MolWeight> (609)
533.6004832

>  <Cat> (609)
S8716

>  <Name> (609)
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>  <Synonyms> (609)
CS 3009, Gavreto

>  <Target> (609)
c-RET

>  <Form> (609)
Free base

>  <CAS> (609)
2097132-94-8

>  <URL> (609)
http://www.selleckchem.com/products/blu-667.html

$$$$

csChFnd80/04092414132D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  2  0  0  0  0
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  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
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  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
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 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
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M  END
>  <Mol_ID> (610)
8876

>  <Formula> (610)
C17H18N4O3

>  <MolWeight> (610)
326.34982

>  <Cat> (610)
S8869

>  <Name> (610)
UNBS5162

>  <Synonyms> (610)
N/A

>  <Target> (610)
CXCR

>  <Form> (610)
Free base

>  <CAS> (610)
956590-23-1

>  <URL> (610)
http://www.selleckchem.com/products/unbs5162.html

$$$$

csChFnd80/04092414132D

 40 45  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
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 14  9  1  0  0  0  0
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 17 12  1  0  0  0  0
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 37 39  1  1  0  0  0
 30 40  1  0  0  0  0
M  END
>  <Mol_ID> (611)
8883

>  <Formula> (611)
C30H38N8O2

>  <MolWeight> (611)
542.67512

>  <Cat> (611)
S8921

>  <Name> (611)
BI-4020

>  <Synonyms> (611)
N/A

>  <Target> (611)
EGFR

>  <Form> (611)
Free base

>  <CAS> (611)
2664214-60-0

>  <URL> (611)
http://www.selleckchem.com/products/bi-4020.html

$$$$

csChFnd80/04092414132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1 17  1  0  0  0  0
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 11 13  1  0  0  0  0
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 13 22  1  0  0  0  0
 15 17  1  0  0  0  0
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 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (612)
8900

>  <Formula> (612)
C14H9BrN6O

>  <MolWeight> (612)
357.16486

>  <Cat> (612)
S9516

>  <Name> (612)
SB 265610

>  <Synonyms> (612)
N/A

>  <Target> (612)
CXCR

>  <Form> (612)
Free base

>  <CAS> (612)
211096-49-0

>  <URL> (612)
http://www.selleckchem.com/products/sb-265610.html

$$$$

csChFnd80/04092414132D

 37 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (613)
8913

>  <Formula> (613)
C24H33ClN4O8

>  <MolWeight> (613)
540.99382

>  <Cat> (613)
S9727

>  <Name> (613)
Ac-YVAD-cmk

>  <Synonyms> (613)
Caspase-1 Inhibitor II

>  <Target> (613)
Interleukins

>  <Form> (613)
Free base

>  <CAS> (613)
178603-78-6

>  <URL> (613)
http://www.selleckchem.com/products/ac-yvad-cmk.html

$$$$

csChFnd80/04092414132D

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8938

>  <Formula> (614)
C29H25FN4O5

>  <MolWeight> (614)
528.5310032

>  <Cat> (614)
E0142

>  <Name> (614)
XL092

>  <Synonyms> (614)
JUN04542

>  <Target> (614)
Axl,c-Met,Mertk,VEGFR

>  <Form> (614)
Free base

>  <CAS> (614)
2367004-54-2

>  <URL> (614)
http://www.selleckchem.com/products/xl092.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (615)
8954

>  <Formula> (615)
C33H38N8O4S

>  <MolWeight> (615)
642.77102

>  <Cat> (615)
E0499

>  <Name> (615)
4SC-203

>  <Synonyms> (615)
SC 71710

>  <Target> (615)
VEGFR

>  <Form> (615)
Free base

>  <CAS> (615)
895533-09-2

>  <URL> (615)
http://www.selleckchem.com/products/4sc-203.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (616)
8955

>  <Formula> (616)
C27H21N3O3

>  <MolWeight> (616)
435.47394

>  <Cat> (616)
E0616

>  <Name> (616)
Chiauranib

>  <Synonyms> (616)
CS2164

>  <Target> (616)
Aurora Kinase,c-Kit,CSF-1R,PDGFR,VEGFR

>  <Form> (616)
Free base

>  <CAS> (616)
1256349-48-0

>  <URL> (616)
http://www.selleckchem.com/products/chiauranib.html

$$$$

csChFnd80/04092414132D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
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 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
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 17 21  2  0  0  0  0
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 23 25  2  0  0  0  0
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M  END
>  <Mol_ID> (617)
8966

>  <Formula> (617)
C25H20Cl2N2O3

>  <MolWeight> (617)
467.3439

>  <Cat> (617)
E1078

>  <Name> (617)
Emvododstat (PTC299)

>  <Target> (617)
Dehydrogenase,VEGFR

>  <Form> (617)
Free base

>  <CAS> (617)
1256565-36-2

>  <URL> (617)
http://www.selleckchem.com/products/emvododstat-ptc299.html

$$$$

csChFnd80/04092414132D

 29 32  0  0  0  0  0  0  0  0999 V2000
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   10.8788    1.4553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (618)
8997

>  <Formula> (618)
C21H16ClF3N4

>  <MolWeight> (618)
416.8267496

>  <Cat> (618)
E2387

>  <Name> (618)
FLT3-IN-2

>  <Target> (618)
FLT3

>  <Form> (618)
Free base

>  <CAS> (618)
923562-23-6

>  <URL> (618)
http://www.selleckchem.com/products/flt3-in-2.html

$$$$

csChFnd80/04092414132D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (619)
8998

>  <Formula> (619)
C28H23N3O2S

>  <MolWeight> (619)
465.56612

>  <Cat> (619)
E2394

>  <Name> (619)
TGF¦ÂRI-IN-3

>  <Target> (619)
TGF-beta/Smad

>  <Form> (619)
Free base

>  <CAS> (619)
2763602-67-9

>  <URL> (619)
http://www.selleckchem.com/products/tgfbetari-in-3.html

$$$$

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   12.1242   11.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118   13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
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  3  4  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
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 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
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 20 24  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
 24 32  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  2  0  0  0  0
 36 37  1  0  0  0  0
 38 39  1  0  0  0  0
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 41 43  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
>  <Mol_ID> (620)
8999

>  <Formula> (620)
C34H43N7O2

>  <MolWeight> (620)
581.75092

>  <Cat> (620)
E2397

>  <Name> (620)
hVEGF-IN-1

>  <Target> (620)
VEGFR

>  <Form> (620)
Free base

>  <CAS> (620)
1637443-98-1

>  <URL> (620)
http://www.selleckchem.com/products/hvegf-in-1.html

$$$$

csChFnd80/04092414132D

 27 30  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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
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  9 10  2  0  0  0  0
  7 10  1  0  0  0  0
  9  3  1  0  0  0  0
  8  4  1  0  0  0  0
  1 11  1  0  0  0  0
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 13 14  1  0  0  0  0
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 11 16  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 23 26  1  0  0  0  0
 22 27  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (621)
9001

>  <Formula> (621)
C18H19ClFN7

>  <MolWeight> (621)
387.8417632

>  <Cat> (621)
E2399

>  <Name> (621)
Falnidamol

>  <Synonyms> (621)
BIBX1382

>  <Target> (621)
EGFR,p38 MAPK

>  <Form> (621)
Free base

>  <CAS> (621)
196612-93-8

>  <URL> (621)
http://www.selleckchem.com/products/falnidamol.html

$$$$

csChFnd80/04092414132D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
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  5  6  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (622)
9007

>  <Formula> (622)
C23H25N7O2

>  <MolWeight> (622)
431.4903

>  <Cat> (622)
E2629

>  <Name> (622)
Vimseltinib

>  <Synonyms> (622)
DCC-3014

>  <Target> (622)
c-Kit,CSF-1R

>  <Form> (622)
Free base

>  <CAS> (622)
1628606-05-2

>  <URL> (622)
http://www.selleckchem.com/products/vimseltinib.html

$$$$

csChFnd80/04092414132D

 12 13  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
  4  5  2  0  0  0  0
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 10 11  2  0  0  0  0
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  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (623)
9010

>  <Formula> (623)
C9H8N2S

>  <MolWeight> (623)
176.23822

>  <Cat> (623)
E2655

>  <Name> (623)
Terevalefim

>  <Synonyms> (623)
ANG-3777

>  <Target> (623)
c-Met

>  <Form> (623)
Free base

>  <CAS> (623)
1070881-42-3

>  <URL> (623)
http://www.selleckchem.com/products/terevalefim.html

$$$$

csChFnd80/04092414132D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  6  7  1  0  0  0  0
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M  END
>  <Mol_ID> (624)
9011

>  <Formula> (624)
C18H14ClFN4O

>  <MolWeight> (624)
356.7813632

>  <Cat> (624)
E2656

>  <Name> (624)
R1530

>  <Target> (624)
FGFR,VEGFR

>  <Form> (624)
Free base

>  <CAS> (624)
882531-87-5

>  <URL> (624)
http://www.selleckchem.com/products/r1530.html

$$$$

csChFnd80/04092414132D

 35 38  0  0  0  0  0  0  0  0999 V2000
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    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 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
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 31  1  0  0  0  0
 29 32  1  0  0  0  0
 23 26  1  0  0  0  0
 33 34  1  0  0  0  0
 21 33  1  0  0  0  0
 19 20  1  0  0  0  0
 13 19  1  0  0  0  0
 16 35  1  0  0  0  0
 12 15  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
>  <Mol_ID> (625)
9024

>  <Formula> (625)
C23H28BrN7O3S

>  <MolWeight> (625)
562.48252

>  <Cat> (625)
E2836

>  <Name> (625)
ALK inhibitor 1

>  <Synonyms> (625)
compound 17

>  <Target> (625)
ALK,FAK,Serine/threonin kinase

>  <Form> (625)
Free base

>  <CAS> (625)
761436-81-1

>  <URL> (625)
http://www.selleckchem.com/products/alk-inhibitor-1.html

$$$$

csChFnd80/04092414132D

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 84 86  1  0  0  0  0
M  END
>  <Mol_ID> (626)
9048

>  <Formula> (626)
C62H88N14O10

>  <MolWeight> (626)
1189.44992

>  <Cat> (626)
S8505

>  <Name> (626)
LY2510924

>  <Synonyms> (626)
N/A

>  <Target> (626)
CXCR

>  <Form> (626)
Free base

>  <CAS> (626)
1088715-84-7

>  <URL> (626)
http://www.selleckchem.com/products/ly2510924.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (627)
9052

>  <Formula> (627)
C84H118N24O21S2

>  <MolWeight> (627)
1864.11392

>  <Cat> (627)
S9725

>  <Name> (627)
Balixafortide (POL6326)

>  <Synonyms> (627)
N/A

>  <Target> (627)
CXCR

>  <Form> (627)
Free base

>  <CAS> (627)
1051366-32-5

>  <URL> (627)
http://www.selleckchem.com/products/balixafortide-pol6326.html

$$$$

csChFnd80/04092414132D

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M  END
>  <Mol_ID> (628)
9059

>  <Formula> (628)
C32H36N8O2

>  <MolWeight> (628)
564.68064

>  <Cat> (628)
S3570

>  <Name> (628)
ARRY-382

>  <Synonyms> (628)
N/A

>  <Target> (628)
CSF-1R

>  <Form> (628)
Free base

>  <CAS> (628)
1313407-95-2

>  <URL> (628)
http://www.selleckchem.com/products/arry-382.html

$$$$

csChFnd80/04092414132D

 31 36  0  0  0  0  0  0  0  0999 V2000
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 29 21  1  0  0  0  0
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M  END
>  <Mol_ID> (629)
9063

>  <Formula> (629)
C21H21FN6O3

>  <MolWeight> (629)
424.4282432

>  <Cat> (629)
S9826

>  <Name> (629)
TPX-0046

>  <Synonyms> (629)
N/A

>  <Target> (629)
c-RET,Src

>  <Form> (629)
Free base

>  <CAS> (629)
2359650-19-2

>  <URL> (629)
http://www.selleckchem.com/products/tpx-0046.html

$$$$

csChFnd80/04092414132D

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>  <Mol_ID> (630)
9075

>  <Formula> (630)
C20H20N2O3

>  <MolWeight> (630)
336.3844

>  <Cat> (630)
S0736

>  <Name> (630)
AG 556

>  <Synonyms> (630)
N/A

>  <Target> (630)
EGFR

>  <Form> (630)
Free base

>  <CAS> (630)
133550-41-1

>  <URL> (630)
http://www.selleckchem.com/products/ag-556.html

$$$$

csChFnd80/04092414132D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (631)
9109

>  <Formula> (631)
C20H16N4

>  <MolWeight> (631)
312.36784

>  <Cat> (631)
E2807

>  <Name> (631)
WAY-641966

>  <Target> (631)
TGF-¦Â,p38-¦Á

>  <Form> (631)
Free base

>  <CAS> (631)
259870-32-1

>  <URL> (631)
https://www.selleckchem.com/products/way-641966.html

$$$$

csChFnd80/04092414132D

 35 37  0  0  0  0  0  0  0  0999 V2000
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 28 23  1  0  0  0  0
  9 29  2  0  0  0  0
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M  END
>  <Mol_ID> (632)
9119

>  <Formula> (632)
C25H27N5O4S

>  <MolWeight> (632)
493.57798

>  <Cat> (632)
S2221

>  <Name> (632)
Apatinib (YN968D1)?mesylate

>  <Synonyms> (632)
YN968D1, Rivoceranib

>  <Target> (632)
VEGFR

>  <Form> (632)
Mesylate

>  <CAS> (632)
1218779-75-9

>  <URL> (632)
http://www.selleckchem.com/products/Apatinib-YN968D1.html

$$$$
