untitled.cdx
csChFnd80/04092414142D

 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
csChFnd80/04092414142D

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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
csChFnd80/04092414142D

 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
csChFnd80/04092414142D

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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
csChFnd80/04092414142D

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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
csChFnd80/04092414142D

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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

$$$$

csChFnd80/04092414142D

 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
csChFnd80/04092414142D

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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
csChFnd80/04092414142D

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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
csChFnd80/04092414142D

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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
csChFnd80/04092414142D

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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
csChFnd80/04092414142D

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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
csChFnd80/04092414142D

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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

$$$$

csChFnd80/04092414142D

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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

$$$$

csChFnd80/04092414142D

 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
csChFnd80/04092414142D

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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
csChFnd80/04092414142D

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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
csChFnd80/04092414142D

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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
csChFnd80/04092414142D

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    9.5121    9.0515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9218    9.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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 20 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  2  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
csChFnd80/04092414142D

 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
 24 25  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
csChFnd80/04092414142D

 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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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 25 26  1  0  0  0  0
 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
csChFnd80/04092414142D

 34 39  0  0  0  0  0  0  0  0999 V2000
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   10.7025   14.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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>  <Name> (23)
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

>  <Synonyms> (24)
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
csChFnd80/04092414142D

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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
csChFnd80/04092414142D

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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
csChFnd80/04092414142D

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>  <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

$$$$

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>  <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

$$$$
CP-724,714.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (31)
97

>  <Formula> (31)
C27H27N5O3

>  <MolWeight> (31)
469.53498

>  <Cat> (31)
S1167

>  <Name> (31)
CP-724714

>  <Synonyms> (31)
N/A

>  <Target> (31)
EGFR,HER2

>  <Form> (31)
free base

>  <CAS> (31)
537705-08-1

>  <URL> (31)
http://selleckchem.com/products/CP-724714.html

$$$$
WZ3146.cdx
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>  <Mol_ID> (32)
99

>  <Formula> (32)
C24H25ClN6O2

>  <MolWeight> (32)
464.9473

>  <Cat> (32)
S1170

>  <Name> (32)
WZ3146

>  <Synonyms> (32)
N/A

>  <Target> (32)
EGFR

>  <Form> (32)
free base

>  <CAS> (32)
1214265-56-1

>  <URL> (32)
http://selleckchem.com/products/WZ3146.html

$$$$
cyc116.cdx
csChFnd80/04092414142D

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N/A

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Aurora Kinase,VEGFR

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free base

>  <CAS> (33)
693228-63-6

>  <URL> (33)
http://selleckchem.com/products/CYC116.html

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N/A

>  <Target> (34)
EGFR

>  <Form> (34)
free base

>  <CAS> (34)
1213269-23-8

>  <URL> (34)
http://selleckchem.com/products/WZ4002.html

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>  <Cat> (35)
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>  <Name> (35)
Regorafenib (BAY 73-4506)

>  <Synonyms> (35)
Fluoro-Sorafenib, Resihance, Stivarga,BAY 73-4506

>  <Target> (35)
Autophagy,c-Kit,c-RET,PDGFR,Raf,VEGFR

>  <Form> (35)
free base

>  <CAS> (35)
755037-03-7

>  <URL> (35)
http://selleckchem.com/products/BAY-73-4506.html

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N/A

>  <Target> (36)
EGFR

>  <Form> (36)
free base

>  <CAS> (36)
1214265-57-2

>  <URL> (36)
http://selleckchem.com/products/WZ8040.html

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M  END
>  <Mol_ID> (37)
109

>  <Formula> (37)
C21H25N7

>  <MolWeight> (37)
375.4701

>  <Cat> (37)
S1181

>  <Name> (37)
ENMD-2076

>  <Synonyms> (37)
N/A

>  <Target> (37)
Apoptosis related,Aurora Kinase,CSF-1R,FGFR,FLT3,PDGFR,Src,VEGFR

>  <Form> (37)
Tartaric Acid

>  <CAS> (37)
934353-76-1

>  <URL> (37)
http://selleckchem.com/products/enmd-2076.html

$$$$
Aprepitant.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (38)
114

>  <Formula> (38)
C23H21F7N4O3

>  <MolWeight> (38)
534.4266624

>  <Cat> (38)
S1189

>  <Name> (38)
Aprepitant (MK-0869)

>  <Synonyms> (38)
MK-0869, L-754030, Emend

>  <Target> (38)
CSF-1R,HIV,Interleukins,Neurokinin Receptor,TNF-alpha

>  <Form> (38)
free base

>  <CAS> (38)
170729-80-3

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

$$$$
S119401 CUDC-101.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (39)
118

>  <Formula> (39)
C24H26N4O4

>  <MolWeight> (39)
434.48764

>  <Cat> (39)
S1194

>  <Name> (39)
CUDC-101

>  <Synonyms> (39)
N/A

>  <Target> (39)
EGFR,HDAC,HER2

>  <Form> (39)
free base

>  <CAS> (39)
1012054-59-9

>  <URL> (39)
http://selleckchem.com/products/CUDC-101.html

$$$$
AV-951.cdx
csChFnd80/04092414142D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (40)
123

>  <Formula> (40)
C22H19ClN4O5

>  <MolWeight> (40)
454.86306

>  <Cat> (40)
S1207

>  <Name> (40)
Tivozanib (AV-951)

>  <Synonyms> (40)
KRN-951

>  <Target> (40)
c-Kit,PDGFR,VEGFR

>  <Form> (40)
free base

>  <CAS> (40)
475108-18-0

>  <URL> (40)
http://selleckchem.com/products/AV-951.html

$$$$
OSI-930.cdx
csChFnd80/04092414142D

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>  <Synonyms> (41)
N/A

>  <Target> (41)
c-Kit,CSF-1R,VEGFR

>  <Form> (41)
free base

>  <CAS> (41)
728033-96-3

>  <URL> (41)
http://selleckchem.com/products/OSI-930.html

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csChFnd80/04092414142D

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>  <Formula> (42)
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>  <MolWeight> (42)
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>  <Cat> (42)
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>  <Name> (42)
Amuvatinib (MP-470)

>  <Synonyms> (42)
HPK 56

>  <Target> (42)
Apoptosis related,c-Kit,c-Met,c-RET,FLT3,PDGFR,RAD51

>  <Form> (42)
free base

>  <CAS> (42)
850879-09-3

>  <URL> (42)
http://selleckchem.com/products/MP-470.html

$$$$
PD173074.cdx
csChFnd80/04092414142D

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>  <MolWeight> (43)
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>  <Cat> (43)
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>  <Name> (43)
PD173074

>  <Synonyms> (43)
N/A

>  <Target> (43)
Apoptosis related,FGFR,VEGFR

>  <Form> (43)
free base

>  <CAS> (43)
219580-11-7

>  <URL> (43)
http://selleckchem.com/products/PD-173074.html

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>  <Name> (44)
Dexamethasone (MK-125)

>  <Synonyms> (44)
NSC 34521, Hexadecadrol, Prednisolone F,MK-125

>  <Target> (44)
Autophagy,Complement System,COVID-19,Glucocorticoid Receptor,IL Receptor,Mitophagy

>  <Form> (44)
free base

>  <CAS> (44)
50-02-2

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

$$$$
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>  <Mol_ID> (45)
221

>  <Formula> (45)
C15H10O5

>  <MolWeight> (45)
270.2369

>  <Cat> (45)
S1342

>  <Name> (45)
Genistein (NPI 031L)

>  <Synonyms> (45)
NPI 031L

>  <Target> (45)
EGFR,Topoisomerase

>  <Form> (45)
free base

>  <CAS> (45)
446-72-0

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

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mgcd265.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (46)
228

>  <Formula> (46)
C26H20FN5O2S2

>  <MolWeight> (46)
517.5977032

>  <Cat> (46)
S1361

>  <Name> (46)
MGCD-265 analog

>  <Synonyms> (46)
N/A

>  <Target> (46)
c-Met,RON,Tie-2,VEGFR

>  <Form> (46)
free base

>  <CAS> (46)
875337-44-3

>  <URL> (46)
https://www.selleckchem.com/products/mgcd-265-analog.html

$$$$
KI8751.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (47)
230

>  <Formula> (47)
C24H18F3N3O4

>  <MolWeight> (47)
469.4126296

>  <Cat> (47)
S1363

>  <Name> (47)
Ki8751

>  <Synonyms> (47)
N/A

>  <Target> (47)
c-Kit,PDGFR,VEGFR

>  <Form> (47)
free base

>  <CAS> (47)
228559-41-9

>  <URL> (47)
http://selleckchem.com/products/Ki8751.html

$$$$
PHA-6806320.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (48)
278

>  <Formula> (48)
C28H35N7O2

>  <MolWeight> (48)
501.6232

>  <Cat> (48)
S1454

>  <Name> (48)
PHA-680632

>  <Synonyms> (48)
N/A

>  <Target> (48)
Aurora Kinase

>  <Form> (48)
free base

>  <CAS> (48)
398493-79-3

>  <URL> (48)
http://selleckchem.com/products/PHA-680632.html

$$$$
sp600125.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (49)
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>  <MolWeight> (49)
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SP600125

>  <Synonyms> (49)
Nsc75890

>  <Target> (49)
Apoptosis related,Aurora Kinase,Autophagy,FLT3,JNK,Serine/threonin kinase,Trk receptor

>  <Form> (49)
free base

>  <CAS> (49)
129-56-6

>  <URL> (49)
http://selleckchem.com/products/SP600125.html

$$$$
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>  <Mol_ID> (50)
289

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C18H18N2O3

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S1470

>  <Name> (50)
Orantinib (SU6668)

>  <Synonyms> (50)
TSU-68

>  <Target> (50)
PDGFR

>  <Form> (50)
free base

>  <CAS> (50)
252916-29-3

>  <URL> (50)
http://selleckchem.com/products/TSU-68(SU6668).html

$$$$
SB525334.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (51)
293

>  <Formula> (51)
C21H21N5

>  <MolWeight> (51)
343.42494

>  <Cat> (51)
S1476

>  <Name> (51)
SB525334

>  <Synonyms> (51)
N/A

>  <Target> (51)
TGF-beta/Smad

>  <Form> (51)
free base

>  <CAS> (51)
356559-20-1

>  <URL> (51)
http://selleckchem.com/products/SB-525334.html

$$$$
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300

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>  <MolWeight> (52)
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>  <Name> (52)
AEE788 (NVP-AEE788)

>  <Synonyms> (52)
N/A

>  <Target> (52)
EGFR,HER2,VEGFR

>  <Form> (52)
free base

>  <CAS> (52)
497839-62-0

>  <URL> (52)
http://selleckchem.com/products/AEE788.html

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M  END
>  <Mol_ID> (53)
304

>  <Formula> (53)
C29H27F3N6O

>  <MolWeight> (53)
532.5594896

>  <Cat> (53)
S1490

>  <Name> (53)
Ponatinib (AP24534)

>  <Synonyms> (53)
AP24534

>  <Target> (53)
Autophagy,Bcr-Abl,FGFR,PDGFR,Src,VEGFR

>  <Form> (53)
free base

>  <CAS> (53)
943319-70-8

>  <URL> (53)
http://selleckchem.com/products/AP24534.html

$$$$
AC220.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (54)
317

>  <Formula> (54)
C29H32N6O4S

>  <MolWeight> (54)
560.66718

>  <Cat> (54)
S1526

>  <Name> (54)
Quizartinib (AC220)

>  <Synonyms> (54)
N/A

>  <Target> (54)
Apoptosis related,FLT3,Target Protein Ligand

>  <Form> (54)
free base

>  <CAS> (54)
950769-58-1

>  <URL> (54)
http://selleckchem.com/products/AC-220.html

$$$$
R406 free base.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (55)
327

>  <Formula> (55)
C22H23FN6O5

>  <MolWeight> (55)
470.4536232

>  <Cat> (55)
S1533

>  <Name> (55)
R406 (free base)

>  <Synonyms> (55)
N/A

>  <Target> (55)
Apoptosis related,FLT3,Syk

>  <Form> (55)
free base

>  <CAS> (55)
841290-80-0

>  <URL> (55)
http://selleckchem.com/products/R406(free-base).html

$$$$
DMXAA.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (56)
328

>  <Formula> (56)
C17H14O4

>  <MolWeight> (56)
282.29066

>  <Cat> (56)
S1537

>  <Name> (56)
Vadimezan (ASA404)

>  <Synonyms> (56)
NSC 640488, DMXAA

>  <Target> (56)
Antiviral,IFN,STING,TNF-alpha,VDA

>  <Form> (56)
free base

>  <CAS> (56)
117570-53-3

>  <URL> (56)
http://selleckchem.com/products/DMXAA(ASA404).html

$$$$
KRN633.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (57)
339

>  <Formula> (57)
C20H21ClN4O4

>  <MolWeight> (57)
416.85814

>  <Cat> (57)
S1557

>  <Name> (57)
KRN 633

>  <Synonyms> (57)
N/A

>  <Target> (57)
VEGFR

>  <Form> (57)
free base

>  <CAS> (57)
286370-15-8

>  <URL> (57)
http://selleckchem.com/products/KRN-633.html

$$$$
BMS777607.cdx
csChFnd80/04092414142D

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  3  4  2  0  0  0  0
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  6  9  1  0  0  0  0
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M  END
>  <Mol_ID> (58)
341

>  <Formula> (58)
C25H19ClF2N4O4

>  <MolWeight> (58)
512.8925664

>  <Cat> (58)
S1561

>  <Name> (58)
BMS-777607

>  <Synonyms> (58)
BMS 817378

>  <Target> (58)
Axl,c-Met,RON,Tyro3

>  <Form> (58)
free base

>  <CAS> (58)
1025720-94-8

>  <URL> (58)
http://selleckchem.com/products/BMS-777607.html

$$$$
ALVESCO (ciclesonide).cdx
csChFnd80/04092414142D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    3.7564    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6744    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
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 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (59)
343

>  <Formula> (59)
C13H11N3O4

>  <MolWeight> (59)
273.24414

>  <Cat> (59)
S1567

>  <Name> (59)
Pomalidomide (CC-4047)

>  <Synonyms> (59)
CC-4047

>  <Target> (59)
Apoptosis related,E3 Ligase ,E3 ligase Ligand,TNF-alpha

>  <Form> (59)
free base

>  <CAS> (59)
19171-19-8

>  <URL> (59)
http://selleckchem.com/products/Pomalidomide(CC-4047).html

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/04092414142D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (60)
350

>  <Formula> (60)
C26H21N3O2S

>  <MolWeight> (60)
439.52884

>  <Cat> (60)
S1577

>  <Name> (60)
Tie2 kinase inhibitor

>  <Synonyms> (60)
N/A

>  <Target> (60)
Tie-2

>  <Form> (60)
free base

>  <CAS> (60)
948557-43-5

>  <URL> (60)
http://selleckchem.com/products/Tie2-kinase-inhibitor.html

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/04092414142D

 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
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    3.6373    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
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  1 10  2  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (61)
370

>  <Formula> (61)
C5H9NO3S

>  <MolWeight> (61)
163.19486

>  <Cat> (61)
S1623

>  <Name> (61)
Acetylcysteine (N-acetylcysteine)

>  <Synonyms> (61)
N-acetylcysteine

>  <Target> (61)
Antiviral,Apoptosis related,Ferroptosis,NF-¦ÊB,ROS,TNF-alpha

>  <Form> (61)
free base

>  <CAS> (61)
616-91-1

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

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/04092414142D

 16 15  0  0  0  0  0  0  0  0999 V2000
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    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
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    7.2788    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (62)
405

>  <Formula> (62)
C10H20N2S4

>  <MolWeight> (62)
296.5392

>  <Cat> (62)
S1680

>  <Name> (62)
Disulfiram (NSC 190940)

>  <Synonyms> (62)
NSC 190940, Tetraethylthiuram disulfide, TETD

>  <Target> (62)
Apoptosis related,COVID-19,Dehydrogenase,Pyroptosis

>  <Form> (62)
free base

>  <CAS> (62)
97-77-8

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

$$$$
APRISO (mesalamine).cdx
csChFnd80/04092414142D

 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
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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
  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> (63)
406

>  <Formula> (63)
C7H7NO3

>  <MolWeight> (63)
153.13538

>  <Cat> (63)
S1681

>  <Name> (63)
Mesalamine (5-ASA)

>  <Synonyms> (63)
5-Aminosalicylic acid, 5-ASA, Mesalazine, Apriso, Asacol, Pentasa, Canasa

>  <Target> (63)
Immunology & Inflammation related,I¦ÊB/IKK

>  <Form> (63)
free base

>  <CAS> (63)
89-57-6

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

$$$$
estradiol.cdx
csChFnd80/04092414142D

 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> (64)
421

>  <Formula> (64)
C18H24O2

>  <MolWeight> (64)
272.38196

>  <Cat> (64)
S1709

>  <Name> (64)
Estradiol

>  <Synonyms> (64)
17¦Â-estradiol, ¦Â-Estradiol, E2, 17¦Â-Oestradiol

>  <Target> (64)
Estrogen/progestogen Receptor,Interleukins

>  <Form> (64)
free base

>  <CAS> (64)
50-28-2

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

$$$$
DCC-2036.cdx
csChFnd80/04092414142D

 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
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    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
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  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
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 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> (65)
423

>  <Formula> (65)
C30H28FN7O3

>  <MolWeight> (65)
553.5868232

>  <Cat> (65)
S2634

>  <Name> (65)
Rebastinib (DCC-2036)

>  <Synonyms> (65)
N/A

>  <Target> (65)
Bcr-Abl

>  <Form> (65)
free base

>  <CAS> (65)
1020172-07-9

>  <URL> (65)
http://selleckchem.com/products/dcc-2036.html

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/04092414142D

 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
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    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
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 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
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 11 29  1  6  0  0  0
 17 30  1  6  0  0  0
M  END
>  <Mol_ID> (66)
434

>  <Formula> (66)
C22H30O5

>  <MolWeight> (66)
374.4706

>  <Cat> (66)
S1733

>  <Name> (66)
Methylprednisolone (NSC-19987)

>  <Synonyms> (66)
NSC-19987,U 7532

>  <Target> (66)
ACE,Apoptosis related,Autophagy,Glucocorticoid Receptor,Immunology & Inflammation related,Interleukins

>  <Form> (66)
free base

>  <CAS> (66)
83-43-2

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

$$$$
Methylthiouracil.cdx
csChFnd80/04092414142D

  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> (67)
477

>  <Formula> (67)
C5H6N2OS

>  <MolWeight> (67)
142.17894

>  <Cat> (67)
S3138

>  <Name> (67)
Methylthiouracil

>  <Synonyms> (67)
NSC-193526, NSC-9378,MTU

>  <Target> (67)
ERK,Interleukins,NF-¦ÊB,TNF-alpha

>  <Form> (67)
free base

>  <CAS> (67)
56-04-2

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

$$$$
untitled.cdx
csChFnd80/04092414142D

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   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
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  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
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 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
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 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
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 26 28  1  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (68)
493

>  <Formula> (68)
C29H41F2N5O

>  <MolWeight> (68)
513.6655464

>  <Cat> (68)
S2003

>  <Name> (68)
Maraviroc (UK-427857)

>  <Synonyms> (68)
Celsentri,UK-427857

>  <Target> (68)
CCR,HIV

>  <Form> (68)
free base

>  <CAS> (68)
376348-65-1

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

$$$$
Tanshinone IIA.cdx
csChFnd80/04092414142D

 22 25  0  0  0  0  0  0  0  0999 V2000
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    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
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    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
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  3  4  1  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
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 15 16  1  0  0  0  0
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 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> (69)
505

>  <Formula> (69)
C19H18O3

>  <MolWeight> (69)
294.34442

>  <Cat> (69)
S2365

>  <Name> (69)
Tanshinone IIA

>  <Synonyms> (69)
Tanshinone B

>  <Target> (69)
Lipase

>  <Form> (69)
free base

>  <CAS> (69)
568-72-9

>  <URL> (69)
http://selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

$$$$
AMG 458.cdx
csChFnd80/04092414142D

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  1 36  1  0  0  0  0
M  END
>  <Mol_ID> (70)
537

>  <Formula> (70)
C30H29N5O5

>  <MolWeight> (70)
539.58176

>  <Cat> (70)
S2747

>  <Name> (70)
AMG-458

>  <Synonyms> (70)
N/A

>  <Target> (70)
c-Met

>  <Form> (70)
free base

>  <CAS> (70)
913376-83-7

>  <URL> (70)
http://selleckchem.com/products/amg458.html

$$$$
Arry-380.cdx
csChFnd80/04092414142D

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TGF-beta/Smad

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free base

>  <CAS> (72)
452342-67-5

>  <URL> (72)
http://selleckchem.com/products/gw788388.html

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231277-92-2

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

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905854-02-6

>  <URL> (74)
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M  END
>  <Mol_ID> (75)
562

>  <Formula> (75)
C20H16N6

>  <MolWeight> (75)
340.38124

>  <Cat> (75)
S2761

>  <Name> (75)
NVP-BVU972

>  <Synonyms> (75)
N/A

>  <Target> (75)
c-Met

>  <Form> (75)
free base

>  <CAS> (75)
1185763-69-2

>  <URL> (75)
http://selleckchem.com/products/nvp-bvu972.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (76)
569

>  <Formula> (76)
C27H33FN6O7

>  <MolWeight> (76)
572.5853232

>  <Cat> (76)
S2769

>  <Name> (76)
Dovitinib (TKI-258) Dilactic Acid

>  <Synonyms> (76)
N/A

>  <Target> (76)
c-Kit,FGFR,FLT3,PDGFR,VEGFR

>  <Form> (76)
Dilactic Acid

>  <CAS> (76)
852433-84-2

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

$$$$
AST-1306.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (77)
570

>  <Formula> (77)
C31H26ClFN4O5S

>  <MolWeight> (77)
621.0783432

>  <Cat> (77)
S2185

>  <Name> (77)
Allitinib tosylate

>  <Synonyms> (77)
AST-1306 TsOH, AST-6

>  <Target> (77)
EGFR

>  <Form> (77)
Mesylate

>  <CAS> (77)
1050500-29-2

>  <URL> (77)
https://www.selleckchem.com/products/allitinib-tosylate.html

$$$$
SB505124.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (78)
573

>  <Formula> (78)
C20H21N3O2

>  <MolWeight> (78)
335.39964

>  <Cat> (78)
S2186

>  <Name> (78)
SB505124

>  <Synonyms> (78)
N/A

>  <Target> (78)
TGF-beta/Smad

>  <Form> (78)
free base

>  <CAS> (78)
694433-59-5

>  <URL> (78)
http://selleckchem.com/products/sb-505124.html

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>  <Mol_ID> (79)
574

>  <Formula> (79)
C24H25N5O5S

>  <MolWeight> (79)
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>  <Cat> (79)
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>  <Name> (79)
MK-2461

>  <Synonyms> (79)
N/A

>  <Target> (79)
c-Met,FGFR,PDGFR,RON

>  <Form> (79)
free base

>  <CAS> (79)
917879-39-1

>  <URL> (79)
http://selleckchem.com/products/mk-2461.html

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csChFnd80/04092414142D

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>  <Mol_ID> (80)
582

>  <Formula> (80)
C26H25ClF3N5O3

>  <MolWeight> (80)
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>  <Cat> (80)
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>  <Name> (80)
TAK-285

>  <Synonyms> (80)
N/A

>  <Target> (80)
EGFR,HER2

>  <Form> (80)
free base

>  <CAS> (80)
871026-44-7

>  <URL> (80)
http://selleckchem.com/products/tak-285.html

$$$$
Bufexamac.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (81)
592

>  <Formula> (81)
C12H17NO3

>  <MolWeight> (81)
223.26828

>  <Cat> (81)
S3023

>  <Name> (81)
Bufexamac

>  <Synonyms> (81)
Bufexamic acid

>  <Target> (81)
COX,IFN

>  <Form> (81)
free base

>  <CAS> (81)
2438-72-4

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

$$$$
Bindarit.cdx
csChFnd80/04092414142D

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602

>  <Formula> (82)
C19H20N2O3

>  <MolWeight> (82)
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>  <Cat> (82)
S3032

>  <Name> (82)
Bindarit (AF?2838)

>  <Synonyms> (82)
AF 2838

>  <Target> (82)
CCR,Immunology & Inflammation related

>  <Form> (82)
free base

>  <CAS> (82)
130641-38-2

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

$$$$
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M  END
>  <Mol_ID> (83)
606

>  <Formula> (83)
C26H33N5O3

>  <MolWeight> (83)
463.57192

>  <Cat> (83)
S2801

>  <Name> (83)
AZD4547

>  <Synonyms> (83)
ABSK 091

>  <Target> (83)
FGFR

>  <Form> (83)
free base

>  <CAS> (83)
1035270-39-3

>  <URL> (83)
http://selleckchem.com/products/azd4547.html

$$$$
NVP-TAE226.cdx
csChFnd80/04092414142D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (84)
618

>  <Formula> (84)
C23H25ClN6O3

>  <MolWeight> (84)
468.936

>  <Cat> (84)
S2820

>  <Name> (84)
TAE226 (NVP-TAE226)

>  <Synonyms> (84)
N/A

>  <Target> (84)
Apoptosis related,FAK,Pyk2

>  <Form> (84)
free base

>  <CAS> (84)
761437-28-9

>  <URL> (84)
http://selleckchem.com/products/nvp-tae226.html

$$$$
E7080.cdx
csChFnd80/04092414142D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (85)
635

>  <Formula> (85)
C21H19ClN4O4

>  <MolWeight> (85)
426.85296

>  <Cat> (85)
S1164

>  <Name> (85)
Lenvatinib (E7080)

>  <Synonyms> (85)
N/A

>  <Target> (85)
c-Kit,c-RET,FGFR,PDGFR,VEGFR

>  <Form> (85)
free base

>  <CAS> (85)
417716-92-8

>  <URL> (85)
http://selleckchem.com/products/E7080.html

$$$$
Dexamethasone acetate.cdx
csChFnd80/04092414142D

 33 36  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
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M  END
>  <Mol_ID> (86)
638

>  <Formula> (86)
C24H31FO6

>  <MolWeight> (86)
434.4977432

>  <Cat> (86)
S3124

>  <Name> (86)
Dexamethasone Acetate

>  <Synonyms> (86)
NSC 39471,Dexamethasone 21-acetate

>  <Target> (86)
Complement System,COVID-19,IL Receptor

>  <Form> (86)
free base

>  <CAS> (86)
1177-87-3

>  <URL> (86)
http://selleckchem.com/products/dexamethasone-acetate.html

$$$$
Nadifloxacin.cdx
csChFnd80/04092414142D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (87)
644

>  <Formula> (87)
C19H21FN2O4

>  <MolWeight> (87)
360.3794432

>  <Cat> (87)
S3105

>  <Name> (87)
Nadifloxacin

>  <Synonyms> (87)
OPC-7251

>  <Target> (87)
Antibiotics

>  <Form> (87)
free base

>  <CAS> (87)
124858-35-1

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

$$$$
KW2449.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (88)
648

>  <Formula> (88)
C20H20N4O

>  <MolWeight> (88)
332.399

>  <Cat> (88)
S2158

>  <Name> (88)
KW-2449

>  <Synonyms> (88)
N/A

>  <Target> (88)
Aurora Kinase,Bcr-Abl,FLT3

>  <Form> (88)
free base

>  <CAS> (88)
1000669-72-6

>  <URL> (88)
http://selleckchem.com/products/KW-2449.html

$$$$
raf265.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (89)
650

>  <Formula> (89)
C24H16F6N6O

>  <MolWeight> (89)
518.4138592

>  <Cat> (89)
S2161

>  <Name> (89)
RAF265 (CHIR-265)

>  <Synonyms> (89)
N/A

>  <Target> (89)
Apoptosis related,Raf,VEGFR

>  <Form> (89)
free base

>  <CAS> (89)
927880-90-8

>  <URL> (89)
http://selleckchem.com/products/RAF265(CHIR-265).html

$$$$
Daphnetin.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (90)
652

>  <Formula> (90)
C9H6O4

>  <MolWeight> (90)
178.14154

>  <Cat> (90)
S2554

>  <Name> (90)
Daphnetin

>  <Synonyms> (90)
N/A

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

>  <Form> (90)
free base

>  <CAS> (90)
486-35-1

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

$$$$
AZD8931.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (91)
665

>  <Formula> (91)
C23H25ClFN5O3

>  <MolWeight> (91)
473.9277032

>  <Cat> (91)
S2192

>  <Name> (91)
Sapitinib (AZD8931)

>  <Synonyms> (91)
N/A

>  <Target> (91)
EGFR,HER2

>  <Form> (91)
free base

>  <CAS> (91)
848942-61-0

>  <URL> (91)
http://selleckchem.com/products/AZD8931.html

$$$$
R406.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (92)
667

>  <Formula> (92)
C28H29FN6O8S

>  <MolWeight> (92)
628.6286632

>  <Cat> (92)
S2194

>  <Name> (92)
R406

>  <Synonyms> (92)
N/A

>  <Target> (92)
Apoptosis related,FLT3,Syk

>  <Form> (92)
Besylate

>  <CAS> (92)
841290-81-1

>  <URL> (92)
http://selleckchem.com/products/R406.html

$$$$
SGI 1776 free base.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (93)
669

>  <Formula> (93)
C20H22F3N5O

>  <MolWeight> (93)
405.4167896

>  <Cat> (93)
S2198

>  <Name> (93)
SGI-1776 free base

>  <Synonyms> (93)
N/A

>  <Target> (93)
Apoptosis related,Autophagy,FLT3,Haspin Kinase,Pim

>  <Form> (93)
free base

>  <CAS> (93)
1025065-69-3

>  <URL> (93)
http://selleckchem.com/products/SGI-1776.html

$$$$
BMS817378.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (94)
670

>  <Formula> (94)
C23H15ClF2N4O3

>  <MolWeight> (94)
468.8400064

>  <Cat> (94)
S2201

>  <Name> (94)
BMS-794833

>  <Synonyms> (94)
N/A

>  <Target> (94)
c-Met,RON,VEGFR

>  <Form> (94)
free base

>  <CAS> (94)
1174046-72-0

>  <URL> (94)
http://selleckchem.com/products/BMS-794833.html

$$$$
OSI 420.cdx
csChFnd80/04092414142D

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    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> (95)
672

>  <Formula> (95)
C21H22ClN3O4

>  <MolWeight> (95)
415.87008

>  <Cat> (95)
S2205

>  <Name> (95)
OSI-420

>  <Synonyms> (95)
DesMethyl Erlotinib (CP-473420) HCl

>  <Target> (95)
EGFR

>  <Form> (95)
Hydrochloride

>  <CAS> (95)
183320-51-6

>  <URL> (95)
http://selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/04092414142D

 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> (96)
682

>  <Formula> (96)
C22H18O11

>  <MolWeight> (96)
458.37172

>  <Cat> (96)
S2250

>  <Name> (96)
(-)-Epigallocatechin Gallate

>  <Synonyms> (96)
EGCG

>  <Target> (96)
DNA Methyltransferase,EGFR,Fatty Acid Synthase,HER2,Telomerase

>  <Form> (96)
free base

>  <CAS> (96)
989-51-5

>  <URL> (96)
http://selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Formononetin.cdx
csChFnd80/04092414142D

 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> (97)
715

>  <Formula> (97)
C16H12O4

>  <MolWeight> (97)
268.26408

>  <Cat> (97)
S2299

>  <Name> (97)
Formononetin

>  <Synonyms> (97)
Formononetol, Biochanin B

>  <Target> (97)
Others

>  <Form> (97)
free base

>  <CAS> (97)
485-72-3

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

$$$$
Fumalic acid.cdx
csChFnd80/04092414142D

 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> (98)
716

>  <Formula> (98)
C10H10O4

>  <MolWeight> (98)
194.184

>  <Cat> (98)
S2300

>  <Name> (98)
Ferulic Acid

>  <Synonyms> (98)
Fumalic Acid

>  <Target> (98)
FGFR

>  <Form> (98)
free base

>  <CAS> (98)
1135-24-6

>  <URL> (98)
http://selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

$$$$
Gramine.cdx
csChFnd80/04092414142D

 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> (99)
718

>  <Formula> (99)
C11H14N2

>  <MolWeight> (99)
174.24226

>  <Cat> (99)
S2304

>  <Name> (99)
Gramine

>  <Synonyms> (99)
N/A

>  <Target> (99)
ADC Cytotoxin,AdipoR,Adrenergic Receptor

>  <Form> (99)
free base

>  <CAS> (99)
87-52-5

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

$$$$
Hesperetin.cdx
csChFnd80/04092414142D

 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> (100)
722

>  <Formula> (100)
C16H14O6

>  <MolWeight> (100)
302.27876

>  <Cat> (100)
S2308

>  <Name> (100)
Hesperetin

>  <Synonyms> (100)
N/A

>  <Target> (100)
Histamine Receptor,TGF-beta/Smad

>  <Form> (100)
free base

>  <CAS> (100)
520-33-2

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

$$$$
Magnolol.cdx
csChFnd80/04092414142D

 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
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    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
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M  END
>  <Mol_ID> (101)
733

>  <Formula> (101)
C18H18O2

>  <MolWeight> (101)
266.33432

>  <Cat> (101)
S2321

>  <Name> (101)
Magnolol

>  <Synonyms> (101)
NSC 293099

>  <Target> (101)
Fungal,NF-¦ÊB

>  <Form> (101)
free base

>  <CAS> (101)
528-43-8

>  <URL> (101)
http://selleckchem.com/products/Magnolol(2,2-Bichavicol).html

$$$$
Chrysophanic acid.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (102)
762

>  <Formula> (102)
C15H10O4

>  <MolWeight> (102)
254.2375

>  <Cat> (102)
S2406

>  <Name> (102)
Chrysophanic Acid

>  <Synonyms> (102)
Chrysophanol

>  <Target> (102)
EGFR,mTOR

>  <Form> (102)
free base

>  <CAS> (102)
481-74-3

>  <URL> (102)
http://selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
Imatinib.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (103)
780

>  <Formula> (103)
C29H31N7O

>  <MolWeight> (103)
493.60274

>  <Cat> (103)
S2475

>  <Name> (103)
Imatinib (STI571)

>  <Synonyms> (103)
STI571,Gleevec, Glivec, CGP057148B

>  <Target> (103)
Autophagy,Bcr-Abl,c-Kit,PDGFR

>  <Form> (103)
free base

>  <CAS> (103)
152459-95-5

>  <URL> (103)
http://selleckchem.com/products/Imatinib(STI571).html

$$$$
TG1012009.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (104)
787

>  <Formula> (104)
C26H35N7O2S

>  <MolWeight> (104)
509.6668

>  <Cat> (104)
S2692

>  <Name> (104)
TG101209

>  <Synonyms> (104)
N/A

>  <Target> (104)
c-RET,FLT3,JAK

>  <Form> (104)
free base

>  <CAS> (104)
936091-14-4

>  <URL> (104)
http://selleckchem.com/products/tg101209.html

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/04092414142D

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>  <Mol_ID> (105)
836

>  <Formula> (105)
C20H16ClN5O3

>  <MolWeight> (105)
409.82574

>  <Cat> (105)
S2231

>  <Name> (105)
Telatinib

>  <Synonyms> (105)
BAY 57-9352

>  <Target> (105)
c-Kit,PDGFR,VEGFR

>  <Form> (105)
free base

>  <CAS> (105)
332012-40-5

>  <URL> (105)
http://selleckchem.com/products/Telatinib-BAY-57-9352.html

$$$$
PP121.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (106)
846

>  <Formula> (106)
C17H17N7

>  <MolWeight> (106)
319.36378

>  <Cat> (106)
S2622

>  <Name> (106)
PP121

>  <Synonyms> (106)
N/A

>  <Target> (106)
Bcr-Abl,DNA-PK,mTOR,PDGFR,Src,VEGFR

>  <Form> (106)
free base

>  <CAS> (106)
1092788-83-4

>  <URL> (106)
http://selleckchem.com/products/PP121.html

$$$$
CX-4945.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (107)
856

>  <Formula> (107)
C19H12ClN3O2

>  <MolWeight> (107)
349.77048

>  <Cat> (107)
S2248

>  <Name> (107)
Silmitasertib (CX-4945)

>  <Synonyms> (107)
N/A

>  <Target> (107)
Apoptosis related,Autophagy,Casein Kinase

>  <Form> (107)
free base

>  <CAS> (107)
1009820-21-6

>  <URL> (107)
http://selleckchem.com/products/cx-4945-silmitasertib.html

$$$$
LY2157299.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (108)
858

>  <Formula> (108)
C22H19N5O

>  <MolWeight> (108)
369.41916

>  <Cat> (108)
S2230

>  <Name> (108)
Galunisertib (LY2157299)

>  <Synonyms> (108)
N/A

>  <Target> (108)
TGF-beta/Smad

>  <Form> (108)
free base

>  <CAS> (108)
700874-72-2

>  <URL> (108)
http://selleckchem.com/products/ly2157299.html

$$$$
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csChFnd80/04092414142D

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N/A

>  <Target> (109)
Syk

>  <Form> (109)
free base

>  <CAS> (109)
901119-35-5

>  <URL> (109)
http://selleckchem.com/products/R7935788-Fostamatinib.html

$$$$
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>  <Mol_ID> (110)
872

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C23H22ClN5O

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CHIR-124

>  <Synonyms> (110)
N/A

>  <Target> (110)
Chk

>  <Form> (110)
free base

>  <CAS> (110)
405168-58-3

>  <URL> (110)
http://selleckchem.com/products/chir-124.html

$$$$
BMS-754807.cdx
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>  <Mol_ID> (111)
886

>  <Formula> (111)
C23H24FN9O

>  <MolWeight> (111)
461.4947632

>  <Cat> (111)
S1124

>  <Name> (111)
BMS-754807

>  <Synonyms> (111)
N/A

>  <Target> (111)
c-Met,IGF-1R,RON,Trk receptor

>  <Form> (111)
free base

>  <CAS> (111)
1001350-96-4

>  <URL> (111)
http://selleckchem.com/products/BMS-754807.html

$$$$
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>  <Mol_ID> (112)
888

>  <Formula> (112)
C23H33NO7S2

>  <MolWeight> (112)
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>  <Cat> (112)
S2015

>  <Name> (112)
Suplatast Tosylate

>  <Synonyms> (112)
IPD-1151T, Suplatast Tosilate

>  <Target> (112)
Interleukins

>  <Form> (112)
Tosylate

>  <CAS> (112)
94055-76-2

>  <URL> (112)
http://selleckchem.com/products/suplatast-tosilate.html

$$$$
untitled.cdx
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>  <Name> (116)
Fedratinib (TG101348)

>  <Synonyms> (116)
SAR302503

>  <Target> (116)
Apoptosis related,c-RET,FLT3,JAK

>  <Form> (116)
free base

>  <CAS> (116)
936091-26-8

>  <URL> (116)
http://selleckchem.com/products/Fedratinib-SAR302503-TG101348.html

$$$$
PF299804.cdx
csChFnd80/04092414142D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (117)
931

>  <Formula> (117)
C24H25ClFN5O2

>  <MolWeight> (117)
469.9390032

>  <Cat> (117)
S2727

>  <Name> (117)
Dacomitinib (PF-00299804)

>  <Synonyms> (117)
PF299804,PF299

>  <Target> (117)
Apoptosis related,EGFR,HER2

>  <Form> (117)
free base

>  <CAS> (117)
1110813-31-4

>  <URL> (117)
http://selleckchem.com/products/pf299804.html

$$$$
CP868569.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (118)
937

>  <Formula> (118)
C26H29N5O2

>  <MolWeight> (118)
443.54076

>  <Cat> (118)
S2730

>  <Name> (118)
Crenolanib (CP-868596)

>  <Synonyms> (118)
ARO 002

>  <Target> (118)
FLT3,Mitophagy,PDGFR

>  <Form> (118)
free base

>  <CAS> (118)
670220-88-9

>  <URL> (118)
http://selleckchem.com/products/crenolanib-cp-868596.html

$$$$
AG-1478.cdx
csChFnd80/04092414142D

 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> (119)
944

>  <Formula> (119)
C16H14ClN3O2

>  <MolWeight> (119)
315.75426

>  <Cat> (119)
S2728

>  <Name> (119)
AG-1478 (Tyrphostin AG-1478)

>  <Synonyms> (119)
NSC 693255

>  <Target> (119)
EGFR,HCV,PI4K

>  <Form> (119)
free base

>  <CAS> (119)
153436-53-4,175178-82-2

>  <URL> (119)
http://selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
Butoconazole nitrate.cdx
csChFnd80/04092414142D

 29 30  0  0  0  0  0  0  0  0999 V2000
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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> (120)
964

>  <Formula> (120)
C19H18Cl3N3O3S

>  <MolWeight> (120)
474.78852

>  <Cat> (120)
S1833

>  <Name> (120)
Butoconazole nitrate

>  <Synonyms> (120)
RS-35887

>  <Target> (120)
Fungal,IFN,Interleukins,TNF-alpha

>  <Form> (120)
Nitrate

>  <CAS> (120)
64872-77-1

>  <URL> (120)
http://selleckchem.com/products/butoconazole-nitrate.html

$$$$
CP 673451.cdx
csChFnd80/04092414142D

 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
    0.0000    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (121)
1006

>  <Formula> (121)
C24H27N5O2

>  <MolWeight> (121)
417.50348

>  <Cat> (121)
S1536

>  <Name> (121)
CP-673451

>  <Synonyms> (121)
N/A

>  <Target> (121)
PDGFR

>  <Form> (121)
free base

>  <CAS> (121)
343787-29-1

>  <URL> (121)
http://selleckchem.com/products/CP-673451.html

$$$$
Varlitinib(ARRY-334543).cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (122)
1047

>  <Formula> (122)
C22H19ClN6O2S

>  <MolWeight> (122)
466.94326

>  <Cat> (122)
S2755

>  <Name> (122)
Varlitinib

>  <Synonyms> (122)
ARRY334543

>  <Target> (122)
EGFR

>  <Form> (122)
free base

>  <CAS> (122)
845272-21-1

>  <URL> (122)
http://selleckchem.com/products/arry334543.html

$$$$
Semaxanib.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (123)
1061

>  <Formula> (123)
C15H14N2O

>  <MolWeight> (123)
238.28446

>  <Cat> (123)
S2845

>  <Name> (123)
Semaxanib (SU5416)

>  <Synonyms> (123)
semaxinib

>  <Target> (123)
VEGFR

>  <Form> (123)
free base

>  <CAS> (123)
204005-46-9

>  <URL> (123)
http://selleckchem.com/products/semaxanib-su5416.html

$$$$
SAR131675.cdx
csChFnd80/04092414142D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (124)
1062

>  <Formula> (124)
C18H22N4O4

>  <MolWeight> (124)
358.39168

>  <Cat> (124)
S2842

>  <Name> (124)
SAR131675

>  <Synonyms> (124)
N/A

>  <Target> (124)
VEGFR

>  <Form> (124)
free base

>  <CAS> (124)
1433953-83-3

>  <URL> (124)
http://selleckchem.com/products/sar131675.html

$$$$
E7050.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (125)
1072

>  <Formula> (125)
C33H37F2N7O4

>  <MolWeight> (125)
633.6881864

>  <Cat> (125)
S2859

>  <Name> (125)
Golvatinib (E7050)

>  <Synonyms> (125)
N/A

>  <Target> (125)
c-Met,VEGFR

>  <Form> (125)
free base

>  <CAS> (125)
928037-13-2

>  <URL> (125)
http://selleckchem.com/products/golvatinib-e7050.html

$$$$
WHI-P154.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (126)
1074

>  <Formula> (126)
C16H14BrN3O3

>  <MolWeight> (126)
376.20466

>  <Cat> (126)
S2867

>  <Name> (126)
WHI-P154

>  <Synonyms> (126)
N/A

>  <Target> (126)
EGFR,JAK

>  <Form> (126)
free base

>  <CAS> (126)
211555-04-3

>  <URL> (126)
http://selleckchem.com/products/whi-p154.html

$$$$
Pirfenidone.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (127)
1109

>  <Formula> (127)
C12H11NO

>  <MolWeight> (127)
185.22184

>  <Cat> (127)
S2907

>  <Name> (127)
Pirfenidone (S-7701)

>  <Synonyms> (127)
AMR-69

>  <Target> (127)
CCR,TGF-beta/Smad

>  <Form> (127)
free base

>  <CAS> (127)
53179-13-8

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

$$$$
GW 441756.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (128)
1112

>  <Formula> (128)
C17H13N3O

>  <MolWeight> (128)
275.30462

>  <Cat> (128)
S2891

>  <Name> (128)
GW441756

>  <Synonyms> (128)
N/A

>  <Target> (128)
Apoptosis related,Caspase,Trk receptor

>  <Form> (128)
free base

>  <CAS> (128)
504433-23-2

>  <URL> (128)
http://selleckchem.com/products/gw-441756.html

$$$$
ZM323881 HCl.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (129)
1117

>  <Formula> (129)
C22H19ClFN3O2

>  <MolWeight> (129)
411.8565632

>  <Cat> (129)
S2896

>  <Name> (129)
ZM 323881 HCl

>  <Synonyms> (129)
N/A

>  <Target> (129)
VEGFR

>  <Form> (129)
Hydrochloride

>  <CAS> (129)
193000-39-4

>  <URL> (129)
http://selleckchem.com/products/zm-323881-hcl.html

$$$$
ZM306416.cdx
csChFnd80/04092414142D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Name> (134)
Pazopanib

>  <Synonyms> (134)
GW786034

>  <Target> (134)
Autophagy,Cathepsin B,c-Kit,CSF-1R,Cysteine Protease,FGFR,PDGFR,VEGFR

>  <Form> (134)
Free Base

>  <CAS> (134)
444731-52-6

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

$$$$
GNF-2.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (135)
1227

>  <Formula> (135)
C18H13F3N4O2

>  <MolWeight> (135)
374.3166296

>  <Cat> (135)
S2899

>  <Name> (135)
GNF-2

>  <Synonyms> (135)
N/A

>  <Target> (135)
Bcr-Abl

>  <Form> (135)
free base

>  <CAS> (135)
778270-11-4

>  <URL> (135)
http://selleckchem.com/products/gnf-2.html

$$$$
OSI-906.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (136)
1237

>  <Formula> (136)
C26H23N5O

>  <MolWeight> (136)
421.49372

>  <Cat> (136)
S1091

>  <Name> (136)
Linsitinib (OSI-906)

>  <Synonyms> (136)
N/A

>  <Target> (136)
IGF-1R

>  <Form> (136)
free base

>  <CAS> (136)
867160-71-2

>  <URL> (136)
http://selleckchem.com/products/OSI-906.html

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (137)
1241

>  <Formula> (137)
C32H30FN3O10

>  <MolWeight> (137)
635.5931032

>  <Cat> (137)
S4001

>  <Name> (137)
Cabozantinib malate

>  <Synonyms> (137)
XL184

>  <Target> (137)
Apoptosis related,Axl,c-Kit,c-Met,c-RET,FLT3,VEGFR

>  <Form> (137)
Malate

>  <CAS> (137)
1140909-48-3

>  <URL> (137)
http://selleckchem.com/products/cabozantinib-malate.html

$$$$
sennoside B.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (138)
1258

>  <Formula> (138)
C42H38O20

>  <MolWeight> (138)
862.73912

>  <Cat> (138)
S4018

>  <Name> (138)
Sennoside B

>  <Synonyms> (138)
N/A

>  <Target> (138)
PDGFR

>  <Form> (138)
Free Base

>  <CAS> (138)
128-57-4

>  <URL> (138)
http://selleckchem.com/products/sennoside-b.html

$$$$
QNZ.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (139)
1263

>  <Formula> (139)
C22H20N4O

>  <MolWeight> (139)
356.4204

>  <Cat> (139)
S4902

>  <Name> (139)
QNZ (EVP4593)

>  <Synonyms> (139)
N/A

>  <Target> (139)
NF-¦ÊB,TNF-alpha

>  <Form> (139)
free base

>  <CAS> (139)
545380-34-5

>  <URL> (139)
http://selleckchem.com/products/qnz-evp4593.html

$$$$
Cepharanthine.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (140)
1364

>  <Formula> (140)
C37H38N2O6

>  <MolWeight> (140)
606.70742

>  <Cat> (140)
S4238

>  <Name> (140)
Cepharanthine

>  <Synonyms> (140)
NSC-623442

>  <Target> (140)
TNF-alpha

>  <Form> (140)
free base

>  <CAS> (140)
481-49-2

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

$$$$
Aloe-emodin.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (141)
1435

>  <Formula> (141)
C15H10O5

>  <MolWeight> (141)
270.2369

>  <Cat> (141)
S2259

>  <Name> (141)
Aloe-emodin

>  <Synonyms> (141)
NSC 38628, Rhabarberone

>  <Target> (141)
IFN

>  <Form> (141)
free base

>  <CAS> (141)
481-72-1

>  <URL> (141)
http://selleckchem.com/products/Aloe-emodin.html

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/04092414142D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (142)
1456

>  <Formula> (142)
C15H12O7

>  <MolWeight> (142)
304.25158

>  <Cat> (142)
S2366

>  <Name> (142)
Taxifolin (Dihydroquercetin)

>  <Synonyms> (142)
N/A

>  <Target> (142)
VEGFR

>  <Form> (142)
free base

>  <CAS> (142)
480-18-2

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

$$$$
Diacerein.cdx
csChFnd80/04092414142D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0538    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (143)
1461

>  <Formula> (143)
C19H12O8

>  <MolWeight> (143)
368.29378

>  <Cat> (143)
S4267

>  <Name> (143)
Diacerein

>  <Synonyms> (143)
N/A

>  <Target> (143)
Interleukins

>  <Form> (143)
free base

>  <CAS> (143)
13739-02-1

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

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/04092414142D

 34 37  0  0  0  0  0  0  0  0999 V2000
   11.9000    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (144)
1503

>  <Formula> (144)
C24H25ClFN5O3

>  <MolWeight> (144)
485.9384032

>  <Cat> (144)
S1011

>  <Name> (144)
Afatinib (BIBW2992)

>  <Synonyms> (144)
BIBW2992

>  <Target> (144)
Autophagy,EGFR,HER2

>  <Form> (144)
Free Base

>  <CAS> (144)
850140-72-6

>  <URL> (144)
http://selleckchem.com/products/BIBW2992.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/04092414142D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (145)
1516

>  <Formula> (145)
C25H31N7O6

>  <MolWeight> (145)
525.55694

>  <Cat> (145)
S2018

>  <Name> (145)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (145)
N/A

>  <Target> (145)
Aurora Kinase,FLT3,VEGFR

>  <Form> (145)
free base

>  <CAS> (145)
1291074-87-7

>  <URL> (145)
http://selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
PF-2341066.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (146)
1523

>  <Formula> (146)
C21H22Cl2FN5O

>  <MolWeight> (146)
450.3366832

>  <Cat> (146)
S1068

>  <Name> (146)
Crizotinib (PF-02341066)

>  <Synonyms> (146)
PF-02341066

>  <Target> (146)
ALK,Autophagy,c-Met,ROS1

>  <Form> (146)
free base

>  <CAS> (146)
877399-52-5

>  <URL> (146)
http://selleckchem.com/products/PF-2341066.html

$$$$
BMS-599626 (AC480).cdx
csChFnd80/04092414142D

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>  <Mol_ID> (147)
1533

>  <Formula> (147)
C27H27FN8O3

>  <MolWeight> (147)
530.5534832

>  <Cat> (147)
S1056

>  <Name> (147)
AC480 (BMS-599626)

>  <Synonyms> (147)
N/A

>  <Target> (147)
EGFR,HER2

>  <Form> (147)
free base

>  <CAS> (147)
714971-09-2

>  <URL> (147)
http://selleckchem.com/products/BMS-599626.html

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (148)
1655

>  <Formula> (148)
C14H23ClN2O

>  <MolWeight> (148)
270.79822

>  <Cat> (148)
S4667

>  <Name> (148)
Lidocaine hydrochloride

>  <Synonyms> (148)
Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (148)
EGFR

>  <Form> (148)
hydrochloride

>  <CAS> (148)
73-78-9

>  <URL> (148)
http://selleckchem.com/products/lidocaine-hydrochloride.html

$$$$
S4736 Trapidil.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (149)
1691

>  <Formula> (149)
C10H15N5

>  <MolWeight> (149)
205.2596

>  <Cat> (149)
S4736

>  <Name> (149)
Trapidil

>  <Synonyms> (149)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (149)
PDGFR

>  <Form> (149)
free base

>  <CAS> (149)
15421-84-8

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

$$$$
S4738 Arctiin.cdx
csChFnd80/04092414142D

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    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> (150)
1695

>  <Formula> (150)
C27H34O11

>  <MolWeight> (150)
534.55226

>  <Cat> (150)
S4738

>  <Name> (150)
Arctiin

>  <Synonyms> (150)
Arctigenin-4-Glucoside, NSC 315527

>  <Target> (150)
AdipoR

>  <Form> (150)
free base

>  <CAS> (150)
20362-31-6

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

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/04092414142D

 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> (151)
1714

>  <Formula> (151)
C18H16O8

>  <MolWeight> (151)
360.31484

>  <Cat> (151)
S3612

>  <Name> (151)
Rosmarinic acid

>  <Synonyms> (151)
Rosemary acid

>  <Target> (151)
Complement System,I¦ÊB/IKK

>  <Form> (151)
free base

>  <CAS> (151)
20283-92-5

>  <URL> (151)
http://selleckchem.com/products/rosmarinic-acid.html

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/04092414142D

  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> (152)
1729

>  <Formula> (152)
C5H12N2S2

>  <MolWeight> (152)
164.29218

>  <Cat> (152)
S3633

>  <Name> (152)
Pyrrolidinedithiocarbamate ammonium

>  <Synonyms> (152)
APDC, PDTC, Pyrrolidine dithiocarbamic acid ammonium salt

>  <Target> (152)
NF-¦ÊB

>  <Form> (152)
ammonium salt

>  <CAS> (152)
5108-96-3

>  <URL> (152)
http://selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/04092414142D

 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> (153)
1730

>  <Formula> (153)
C42H68N2O16

>  <MolWeight> (153)
856.99312

>  <Cat> (153)
S3622

>  <Name> (153)
Diammonium Glycyrrhizinate

>  <Synonyms> (153)
N/A

>  <Target> (153)
Immunology & Inflammation related

>  <Form> (153)
ammonium salt

>  <CAS> (153)
79165-06-3

>  <URL> (153)
http://selleckchem.com/products/diammonium-glycyrrhizinate.html

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/04092414142D

 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> (154)
1799

>  <Formula> (154)
C17H17N3Na2O8

>  <MolWeight> (154)
437.31172

>  <Cat> (154)
S3745

>  <Name> (154)
Balsalazide disodium

>  <Synonyms> (154)
N/A

>  <Target> (154)
Immunology & Inflammation related,Interleukins,STAT

>  <Form> (154)
disodium salt dihydrate

>  <CAS> (154)
150399-21-6

>  <URL> (154)
http://selleckchem.com/products/balsalazide-disodium.html

$$$$
S3741 Benznidazole.cdx
csChFnd80/04092414142D

 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> (155)
1822

>  <Formula> (155)
C12H12N4O3

>  <MolWeight> (155)
260.24868

>  <Cat> (155)
S3741

>  <Name> (155)
Benznidazole

>  <Synonyms> (155)
Radanil

>  <Target> (155)
Parasite

>  <Form> (155)
free base

>  <CAS> (155)
22994-85-0

>  <URL> (155)
http://selleckchem.com/products/benznidazole.html

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/04092414142D

 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> (156)
1840

>  <Formula> (156)
C18H22O4

>  <MolWeight> (156)
302.36488

>  <Cat> (156)
S3984

>  <Name> (156)
Nordihydroguaiaretic acid (NDGA)

>  <Synonyms> (156)
N/A

>  <Target> (156)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Ferroptosis,HER2,IGF-1R,Lipoxygenase

>  <Form> (156)
free base

>  <CAS> (156)
500-38-9

>  <URL> (156)
http://selleckchem.com/products/nordihydroguaiaretic-acid.html

$$$$
S3822 Schisandrin A.cdx
csChFnd80/04092414142D

 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
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  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
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 15  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 19  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 18 22  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
 22 29  1  6  0  0  0
 18 30  1  6  0  0  0
M  END
>  <Mol_ID> (157)
1850

>  <Formula> (157)
C24H32O6

>  <MolWeight> (157)
416.50728

>  <Cat> (157)
S3822

>  <Name> (157)
Schisandrin A

>  <Synonyms> (157)
Deoxyschizandrin, Wuweizisu A

>  <Target> (157)
AdipoR

>  <Form> (157)
free base

>  <CAS> (157)
61281-38-7

>  <URL> (157)
http://selleckchem.com/products/schisandrin-a.html

$$$$
S3827 Royal jelly acid.cdx
csChFnd80/04092414142D

 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
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (158)
1855

>  <Formula> (158)
C10H18O3

>  <MolWeight> (158)
186.24812

>  <Cat> (158)
S3827

>  <Name> (158)
Royal jelly acid

>  <Synonyms> (158)
10-Hydroxy-trans-2-decenoic acid, 10H2DA

>  <Target> (158)
IFN

>  <Form> (158)
free base

>  <CAS> (158)
14113-05-4

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

$$$$
S3759 Norcantharidin.cdx
csChFnd80/04092414142D

 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> (159)
1876

>  <Formula> (159)
C8H8O4

>  <MolWeight> (159)
168.14672

>  <Cat> (159)
S3759

>  <Name> (159)
Norcantharidin

>  <Synonyms> (159)
Endothall anhydride

>  <Target> (159)
c-Met,EGFR

>  <Form> (159)
free base

>  <CAS> (159)
29745-04-8

>  <URL> (159)
http://selleckchem.com/products/norcantharidin.html

$$$$
S3931 Ginsenoside Rd.cdx
csChFnd80/04092414142D

 69 75  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (160)
1946

>  <Formula> (160)
C48H82O18

>  <MolWeight> (160)
947.15388

>  <Cat> (160)
S3931

>  <Name> (160)
Ginsenoside Rd

>  <Synonyms> (160)
Panaxoside Rd, Sanchinoside Rd

>  <Target> (160)
Calcium Channel,COX,NF-¦ÊB,NOS,P450 (e.g. CYP17)

>  <Form> (160)
free base

>  <CAS> (160)
52705-93-8

>  <URL> (160)
http://selleckchem.com/products/ginsenoside-rd.html

$$$$
LY2109761.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (161)
1955

>  <Formula> (161)
C26H27N5O2

>  <MolWeight> (161)
441.52488

>  <Cat> (161)
S2704

>  <Name> (161)
LY2109761

>  <Synonyms> (161)
N/A

>  <Target> (161)
Apoptosis related,Autophagy,TGF-beta/Smad

>  <Form> (161)
Free Base

>  <CAS> (161)
700874-71-1

>  <URL> (161)
http://selleckchem.com/products/ly2109761.html

$$$$
INCB28060.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (162)
1956

>  <Formula> (162)
C23H17FN6O

>  <MolWeight> (162)
412.4190832

>  <Cat> (162)
S2788

>  <Name> (162)
Capmatinib (INCB28060)

>  <Synonyms> (162)
INC280, NVP-INC280

>  <Target> (162)
Apoptosis related,c-Met,Wnt/beta-catenin

>  <Form> (162)
Free Base

>  <CAS> (162)
1029712-80-8

>  <URL> (162)
http://selleckchem.com/products/incb28060.html

$$$$
Plerixafor 8HCl.cdx
csChFnd80/04092414142D

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   11.1786    0.8114    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  1  0  0  0  0
 23 24  1  0  0  0  0
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 35 36  1  0  0  0  0
 23 36  1  0  0  0  0
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M  END
>  <Mol_ID> (163)
1957

>  <Formula> (163)
C28H62Cl8N8

>  <MolWeight> (163)
794.46948

>  <Cat> (163)
S3013

>  <Name> (163)
Plerixafor (AMD3100) 8HCl

>  <Synonyms> (163)
JM 3100 8HCl,Plerixafor Octahydrochloride,AMD3100 octahydrochloride,SID791 octahydrochloride

>  <Target> (163)
CXCR,HIV

>  <Form> (163)
Octahydrochloride

>  <CAS> (163)
155148-31-5

>  <URL> (163)
http://selleckchem.com/products/plerixafor-8hcl-db06809.html

$$$$
LY364947.cdx
csChFnd80/04092414142D

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    6.4373    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 11 15  1  0  0  0  0
 16 17  1  0  0  0  0
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 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 13 16  1  0  0  0  0
  4 14  1  0  0  0  0
M  END
>  <Mol_ID> (164)
1959

>  <Formula> (164)
C17H12N4

>  <MolWeight> (164)
272.30398

>  <Cat> (164)
S2805

>  <Name> (164)
LY364947

>  <Synonyms> (164)
HTS 466284

>  <Target> (164)
Casein Kinase,Mixed Lineage Kinase,RIP kinase,TGF-beta/Smad

>  <Form> (164)
Free Base

>  <CAS> (164)
396129-53-6

>  <URL> (164)
http://selleckchem.com/products/ly364947.html

$$$$
PD168393.cdx
csChFnd80/04092414142D

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    9.6827    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  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
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (165)
1973

>  <Formula> (165)
C17H13BrN4O

>  <MolWeight> (165)
369.21532

>  <Cat> (165)
S7039

>  <Name> (165)
PD168393

>  <Synonyms> (165)
N/A

>  <Target> (165)
EGFR

>  <Form> (165)
free base

>  <CAS> (165)
194423-15-9

>  <URL> (165)
http://selleckchem.com/products/pd168393.html

$$$$
P505-15.cdx
csChFnd80/04092414142D

 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
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    9.6953    5.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6077    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2471    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    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
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  7  9  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 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
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 22 18  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  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> (166)
1975

>  <Formula> (166)
C19H24ClN9O

>  <MolWeight> (166)
429.90656

>  <Cat> (166)
S8032

>  <Name> (166)
PRT062607 (P505-15) HCl

>  <Synonyms> (166)
BIIB057, PRT-2607

>  <Target> (166)
FAK,FLT3,Mixed Lineage Kinase,PAK,Pyk2,Src,Syk

>  <Form> (166)
Hydrochloride

>  <CAS> (166)
1370261-97-4

>  <URL> (166)
http://selleckchem.com/products/prt062607-p505-15-hcl.html

$$$$
LDK378.cdx
csChFnd80/04092414142D

 38 41  0  0  0  0  0  0  0  0999 V2000
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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
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    6.0538    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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   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> (167)
1986

>  <Formula> (167)
C28H36ClN5O3S

>  <MolWeight> (167)
558.13514

>  <Cat> (167)
S7083

>  <Name> (167)
Ceritinib (LDK378)

>  <Synonyms> (167)
N/A

>  <Target> (167)
ALK,FLT3,IGF-1R,Serine/threonin kinase

>  <Form> (167)
free base

>  <CAS> (167)
1032900-25-6

>  <URL> (167)
http://selleckchem.com/products/ldk378.html

$$$$
CNX-2006.cdx
csChFnd80/04092414142D

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    1.2124    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.5951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 29 24  1  0  0  0  0
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M  END
>  <Mol_ID> (168)
1998

>  <Formula> (168)
C26H27F4N7O2

>  <MolWeight> (168)
545.5318928

>  <Cat> (168)
S7206

>  <Name> (168)
CNX-2006

>  <Synonyms> (168)
N/A

>  <Target> (168)
EGFR

>  <Form> (168)
free base

>  <CAS> (168)
1375465-09-0

>  <URL> (168)
http://selleckchem.com/products/cnx-2006.html

$$$$
untitled.cdx
csChFnd80/04092414142D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    6.8553    8.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8149    9.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2710    9.4904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 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> (169)
2003

>  <Formula> (169)
C24H25ClN6O

>  <MolWeight> (169)
448.9479

>  <Cat> (169)
S7106

>  <Name> (169)
AZD3463

>  <Synonyms> (169)
N/A

>  <Target> (169)
ALK,Apoptosis related,Autophagy,IGF-1R

>  <Form> (169)
free base

>  <CAS> (169)
1356962-20-3

>  <URL> (169)
http://selleckchem.com/products/azd3463.html

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (170)
2015

>  <Formula> (170)
C54H92O23

>  <MolWeight> (170)
1109.29448

>  <Cat> (170)
S3924

>  <Name> (170)
Ginsenoside Rb1

>  <Synonyms> (170)
Gypenoside ¢ó

>  <Target> (170)
ATPase,IFN,IRAK,NF-¦ÊB,NOS,TLR,TNF-alpha

>  <Form> (170)
free base

>  <CAS> (170)
41753-43-9

>  <URL> (170)
http://selleckchem.com/products/ginsenoside-rb1.html

$$$$
S4763 4-Hydroxychalcone.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (171)
2074

>  <Formula> (171)
C15H12O2

>  <MolWeight> (171)
224.25458

>  <Cat> (171)
S4763

>  <Name> (171)
4-Hydroxychalcone

>  <Synonyms> (171)
P-Cinnamoylphenol

>  <Target> (171)
NF-¦ÊB

>  <Form> (171)
free base

>  <CAS> (171)
20426-12-4

>  <URL> (171)
http://selleckchem.com/products/4-hydroxychalcone.html

$$$$
S3951 Tannic acid.cdx
csChFnd80/04092414142D

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   11.8672   19.3979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4057    8.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9430    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   25.2095    6.1068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4573   24.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5485   25.4529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
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 63 73  1  0  0  0  0
 65 75  1  0  0  0  0
 65 76  2  0  0  0  0
 66 77  1  0  0  0  0
 66 78  2  0  0  0  0
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 96107  1  0  0  0  0
 97110  1  0  0  0  0
100111  1  0  0  0  0
100112  1  0  0  0  0
101113  1  0  0  0  0
101111  2  0  0  0  0
102114  1  0  0  0  0
105115  2  0  0  0  0
106116  1  0  0  0  0
107117  1  0  0  0  0
111118  1  0  0  0  0
115119  1  0  0  0  0
115120  1  0  0  0  0
116121  1  0  0  0  0
116119  2  0  0  0  0
119122  1  0  0  0  0
M  END
>  <Mol_ID> (172)
2082

>  <Formula> (172)
C76H52O46

>  <MolWeight> (172)
1701.19848

>  <Cat> (172)
S3951

>  <Name> (172)
Tannic acid

>  <Synonyms> (172)
Gallotannic acid

>  <Target> (172)
CXCR

>  <Form> (172)
free base

>  <CAS> (172)
1401-55-4

>  <URL> (172)
http://selleckchem.com/products/tannic-acid.html

$$$$
S4966 4-Methylesculetin.cdx
csChFnd80/04092414142D

 14 15  0  0  0  0  0  0  0  0999 V2000
    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
    2.4249    4.2000    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
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    6.0622    2.1000    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
    1.2124    2.1000    0.0000 C   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
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    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
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  8  9  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (173)
2195

>  <Formula> (173)
C10H8O4

>  <MolWeight> (173)
192.16812

>  <Cat> (173)
S4966

>  <Name> (173)
4-Methylesculetin

>  <Synonyms> (173)
N/A

>  <Target> (173)
Immunology & Inflammation related,Interleukins,Peroxidases

>  <Form> (173)
free base

>  <CAS> (173)
529-84-0

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

$$$$
S5020 Tilorone dihydrochloride.cdx
csChFnd80/04092414142D

 32 32  0  0  0  0  0  0  0  0999 V2000
   11.0894    3.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6853    3.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5365    2.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0148    4.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2756    2.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7334    4.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4129    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9090    1.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3873    4.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9077    1.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3785    4.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4282    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8344    3.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2069    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6308    3.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5048    3.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2732    3.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4302    4.5582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3164    4.3612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9831    5.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9539    4.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7267    5.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    0.0000    5.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7728    6.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (174)
2204

>  <Formula> (174)
C25H36Cl2N2O3

>  <MolWeight> (174)
483.47094

>  <Cat> (174)
S5020

>  <Name> (174)
Tilorone dihydrochloride

>  <Synonyms> (174)
N/A

>  <Target> (174)
Antiviral,IFN

>  <Form> (174)
dihydrochloride

>  <CAS> (174)
27591-69-1

>  <URL> (174)
http://selleckchem.com/products/tilorone-dihydrochloride.html

$$$$
S4937 4'-Hydroxychalcone.cdx
csChFnd80/04092414142D

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.2689    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2689    3.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5114    1.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4818    4.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7280    2.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6323    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7100    3.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9281    4.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    3.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (175)
2207

>  <Formula> (175)
C15H12O2

>  <MolWeight> (175)
224.25458

>  <Cat> (175)
S4937

>  <Name> (175)
4'-Hydroxychalcone

>  <Synonyms> (175)
P-Cinnamoylphenol

>  <Target> (175)
NF-¦ÊB

>  <Form> (175)
free base

>  <CAS> (175)
2657-25-2

>  <URL> (175)
http://selleckchem.com/products/hydroxychalcone.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/04092414142D

 68 74  0  0  0  0  0  0  0  0999 V2000
    6.9238    8.9622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0285    9.6191    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6762    9.6479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9525    7.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8666   10.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (176)
2215

>  <Formula> (176)
C47H80O18

>  <MolWeight> (176)
933.1273

>  <Cat> (176)
S3785

>  <Name> (176)
Notoginsenoside R1

>  <Synonyms> (176)
Sanchinoside R1, NG-R1, NGR1

>  <Target> (176)
Akt,ERK,PAI-1,PI3K

>  <Form> (176)
free base

>  <CAS> (176)
80418-24-2

>  <URL> (176)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
S3969 Veratric acid.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (177)
2218

>  <Formula> (177)
C9H10O4

>  <MolWeight> (177)
182.1733

>  <Cat> (177)
S3969

>  <Name> (177)
Veratric acid

>  <Synonyms> (177)
3,4-Dimethoxybenzoic acid

>  <Target> (177)
COX,Immunology & Inflammation related,Interleukins,PGES

>  <Form> (177)
free base

>  <CAS> (177)
93-07-2

>  <URL> (177)
http://selleckchem.com/products/veratric-acid.html

$$$$
SNS-314 Mesylate.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (178)
2229

>  <Formula> (178)
C19H19ClN6O4S3

>  <MolWeight> (178)
527.03996

>  <Cat> (178)
S1154

>  <Name> (178)
SNS-314

>  <Synonyms> (178)
N/A

>  <Target> (178)
Aurora Kinase

>  <Form> (178)
Mesylate

>  <CAS> (178)
1057249-41-8

>  <URL> (178)
http://selleckchem.com/products/sns-314-mesylate.html

$$$$
untitled.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (179)
2234

>  <Formula> (179)
C24H25ClFN5O3

>  <MolWeight> (179)
485.9384032

>  <Cat> (179)
S1019

>  <Name> (179)
Canertinib (CI-1033)

>  <Synonyms> (179)
PD183805

>  <Target> (179)
EGFR,HER2

>  <Form> (179)
Free Base

>  <CAS> (179)
267243-28-7

>  <URL> (179)
http://selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
csChFnd80/04092414142D

 41 45  0  0  0  0  0  0  0  0999 V2000
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   12.1033    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 36  1  0  0  0  0
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 37 38  1  0  0  0  0
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 40 41  1  0  0  0  0
 41 36  1  0  0  0  0
M  END
>  <Mol_ID> (180)
2236

>  <Formula> (180)
C31H42N6O4

>  <MolWeight> (180)
562.70298

>  <Cat> (180)
S1043

>  <Name> (180)
Tandutinib (MLN518)

>  <Synonyms> (180)
CT 53518, NSC726292, MLN518

>  <Target> (180)
FLT3

>  <Form> (180)
Free Base

>  <CAS> (180)
387867-13-2

>  <URL> (180)
http://selleckchem.com/products/Tandutinib-(MLN518).html

$$$$
untitled.cdx
csChFnd80/04092414142D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.6827    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.9927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.9927    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
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  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  8 11  1  0  0  0  0
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 11 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
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 22 23  1  0  0  0  0
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M  END
>  <Mol_ID> (181)
2237

>  <Formula> (181)
C22H24BrFN4O2

>  <MolWeight> (181)
475.3539632

>  <Cat> (181)
S1046

>  <Name> (181)
Vandetanib (ZD6474)

>  <Synonyms> (181)
ZD6474

>  <Target> (181)
Apoptosis related,Autophagy,EGFR,ROS,VEGFR

>  <Form> (181)
free base

>  <CAS> (181)
443913-73-3

>  <URL> (181)
http://selleckchem.com/products/Vandetanib.html

$$$$
PQ 401.cdx
csChFnd80/04092414142D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  9 14  1  0  0  0  0
  6 15  1  0  0  0  0
  4  8  1  0  0  0  0
  1 16  1  0  0  0  0
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 17 18  1  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> (182)
2267

>  <Formula> (182)
C18H16ClN3O2

>  <MolWeight> (182)
341.79154

>  <Cat> (182)
S8003

>  <Name> (182)
PQ 401

>  <Synonyms> (182)
N/A

>  <Target> (182)
IGF-1R

>  <Form> (182)
free base

>  <CAS> (182)
196868-63-0

>  <URL> (182)
http://selleckchem.com/products/pq-401.html

$$$$

csChFnd80/04092414142D

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Agerafenib (RXDX-105)

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CEP-32496

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c-Kit,c-RET,CSF-1R,PDGFR,Raf

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free base

>  <CAS> (183)
1188910-76-0

>  <URL> (183)
http://selleckchem.com/products/cep-32496.html

$$$$
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csChFnd80/04092414142D

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2274

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AP26113-analog (ALK-IN-1)

>  <Synonyms> (184)
N/A

>  <Target> (184)
ALK,EGFR

>  <Form> (184)
free base

>  <CAS> (184)
1197958-12-5

>  <URL> (184)
http://selleckchem.com/products/ap26113.html

$$$$
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csChFnd80/04092414142D

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>  <Mol_ID> (185)
2278

>  <Formula> (185)
C16H14N2O2

>  <MolWeight> (185)
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>  <Cat> (185)
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>  <Name> (185)
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>  <Synonyms> (185)
AG 1296

>  <Target> (185)
Apoptosis related,c-Kit,FGFR,PDGFR

>  <Form> (185)
free base

>  <CAS> (185)
146535-11-7

>  <URL> (185)
http://selleckchem.com/products/tyrphostin-ag-1296-ag-1296.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/04092414142D

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>  <Mol_ID> (186)
2279

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C18H20N2O4S

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>  <Cat> (186)
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>  <Name> (186)
TCS 359

>  <Synonyms> (186)
N/A

>  <Target> (186)
FLT3

>  <Form> (186)
free base

>  <CAS> (186)
301305-73-7

>  <URL> (186)
http://selleckchem.com/products/tcs-359.html

$$$$
Plerixafor.cdx
csChFnd80/04092414142D

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   15.8546    8.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1155    8.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
 18  1  1  0  0  0  0
 30  1  1  0  0  0  0
  2 10  1  0  0  0  0
 17  2  1  0  0  0  0
 29  2  1  0  0  0  0
  3 26  1  0  0  0  0
 35  3  1  0  0  0  0
  4 25  1  0  0  0  0
 36  4  1  0  0  0  0
  5 32  1  0  0  0  0
 23  5  1  0  0  0  0
  6 31  1  0  0  0  0
 24  6  1  0  0  0  0
  7 28  1  0  0  0  0
 34  7  1  0  0  0  0
  8 27  1  0  0  0  0
 33  8  1  0  0  0  0
 11  9  1  0  0  0  0
 10 12  1  0  0  0  0
 13 11  2  0  0  0  0
 15 11  1  0  0  0  0
 12 16  1  0  0  0  0
 14 12  2  0  0  0  0
 14 13  1  0  0  0  0
 16 15  2  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 28 19  1  0  0  0  0
 26 20  1  0  0  0  0
 21 23  1  0  0  0  0
 25 21  1  0  0  0  0
 22 24  1  0  0  0  0
 27 22  1  0  0  0  0
 31 29  1  0  0  0  0
 32 30  1  0  0  0  0
 33 34  1  0  0  0  0
 36 35  1  0  0  0  0
M  END
>  <Mol_ID> (187)
2280

>  <Formula> (187)
C28H54N8

>  <MolWeight> (187)
502.78196

>  <Cat> (187)
S8030

>  <Name> (187)
Plerixafor (AMD3100)

>  <Synonyms> (187)
JM 3100, SID791

>  <Target> (187)
CXCR,HIV

>  <Form> (187)
Free Base

>  <CAS> (187)
110078-46-1

>  <URL> (187)
http://selleckchem.com/products/plerixafor.html

$$$$
Necrostatin-1.cdx
csChFnd80/04092414142D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521    4.1495    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5925    3.2128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8050    3.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5139    5.2822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1216    5.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4240    6.6367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0795    3.3453    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4474    6.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  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
M  END
>  <Mol_ID> (188)
2286

>  <Formula> (188)
C13H13N3OS

>  <MolWeight> (188)
259.32682

>  <Cat> (188)
S8037

>  <Name> (188)
Necrostatin-1

>  <Synonyms> (188)
Nec-1

>  <Target> (188)
Apoptosis related,Autophagy,IDO/TDO,RIP kinase,TNF-alpha

>  <Form> (188)
free base

>  <CAS> (188)
4311-88-0

>  <URL> (188)
http://selleckchem.com/products/necrostatin-1.html

$$$$
GW2580.cdx
csChFnd80/04092414142D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    2.4207    6.2927    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
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    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
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  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
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  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
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (189)
2302

>  <Formula> (189)
C20H22N4O3

>  <MolWeight> (189)
366.41368

>  <Cat> (189)
S8042

>  <Name> (189)
GW2580

>  <Synonyms> (189)
SC-203877

>  <Target> (189)
CSF-1R

>  <Form> (189)
free base

>  <CAS> (189)
870483-87-7

>  <URL> (189)
http://selleckchem.com/products/gw2580.html

$$$$
Butein.cdx
csChFnd80/04092414142D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6599    3.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    4.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    2.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    3.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    5.6013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0837    3.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    5.6101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4364    1.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    2.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2956    4.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5073    3.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5073    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7197    4.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9342    3.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9365    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7255    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1452    1.4024    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  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (190)
2304

>  <Formula> (190)
C15H12O5

>  <MolWeight> (190)
272.25278

>  <Cat> (190)
S8036

>  <Name> (190)
Butein

>  <Synonyms> (190)
N/A

>  <Target> (190)
EGFR

>  <Form> (190)
free base

>  <CAS> (190)
487-52-5

>  <URL> (190)
http://selleckchem.com/products/butein.html

$$$$
NVP-TAE684.cdx
csChFnd80/04092414142D

 42 46  0  0  0  0  0  0  0  0999 V2000
    8.4878   11.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7027    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7043    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4926    7.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4942    6.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7075    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9191    6.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9175    7.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7091    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4974    3.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4990    2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9239    2.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9223    3.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7138    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0582   16.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0598   14.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2730   13.9972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8450   16.7945    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497   12.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381   11.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6397   10.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8529    9.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0646   10.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0630   11.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7263   11.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   12.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100   14.6903    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
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
  6 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
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
 32 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  2  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
>  <Mol_ID> (191)
2316

>  <Formula> (191)
C30H40ClN7O3S

>  <MolWeight> (191)
614.2017

>  <Cat> (191)
S1108

>  <Name> (191)
TAE684 (NVP-TAE684)

>  <Synonyms> (191)
N/A

>  <Target> (191)
ALK,Apoptosis related

>  <Form> (191)
Free Base

>  <CAS> (191)
761439-42-3

>  <URL> (191)
http://selleckchem.com/products/NVP-TAE684.html

$$$$
SGX-523 .cdx
csChFnd80/04092414142D

 26 30  0  0  0  0  0  0  0  0999 V2000
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    1.2124    6.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (192)
2318

>  <Formula> (192)
C18H13N7S

>  <MolWeight> (192)
359.40772

>  <Cat> (192)
S1112

>  <Name> (192)
SGX-523

>  <Synonyms> (192)
N/A

>  <Target> (192)
c-Met

>  <Form> (192)
free base

>  <CAS> (192)
1022150-57-7

>  <URL> (192)
http://selleckchem.com/products/SGX-523.html

$$$$
s1023.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (193)
2320

>  <Formula> (193)
C22H24ClN3O4

>  <MolWeight> (193)
429.89666

>  <Cat> (193)
S1023

>  <Name> (193)
Erlotinib (OSI-774) HCl

>  <Synonyms> (193)
CP358774, NSC 718781,OSI-774 HCl

>  <Target> (193)
Autophagy,EGFR

>  <Form> (193)
Hydrochloride

>  <CAS> (193)
183319-69-9

>  <URL> (193)
http://selleckchem.com/products/Erlotinib-Hydrochloride.html

$$$$
R 788.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (194)
2375

>  <Formula> (194)
C23H24FN6Na2O9P

>  <MolWeight> (194)
624.4231642

>  <Cat> (194)
S2206

>  <Name> (194)
Fostamatinib (R788) disodium

>  <Synonyms> (194)
Tamatinib Fosdium

>  <Target> (194)
Syk

>  <Form> (194)
Sodium Salt

>  <CAS> (194)
1025687-58-4

>  <URL> (194)
http://selleckchem.com/products/R788(Fostamatinib-disodium).html

$$$$
AZ5104.cdx
csChFnd80/04092414142D

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AZ5104

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N/A

>  <Target> (195)
EGFR

>  <Form> (195)
free base

>  <CAS> (195)
1421373-98-9

>  <URL> (195)
http://selleckchem.com/products/az5104.html

$$$$
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C31H23F2N5O3

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NPS-1034

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N/A

>  <Target> (196)
Axl,c-Met

>  <Form> (196)
free base

>  <CAS> (196)
1221713-92-3

>  <URL> (196)
http://selleckchem.com/products/nps-1034.html

$$$$
Dexamethasone sodium phosphate.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (197)
2441

>  <Formula> (197)
C22H28FNa2O8P

>  <MolWeight> (197)
516.4046242

>  <Cat> (197)
S4028

>  <Name> (197)
Dexamethasone Sodium Phosphate

>  <Synonyms> (197)
Dexamethasone?21-phosphate disodium salt

>  <Target> (197)
Autophagy,Complement System,COVID-19,COX,IL Receptor

>  <Form> (197)
Disodium salt

>  <CAS> (197)
55203-24-2

>  <URL> (197)
http://selleckchem.com/products/dexamethasone-sodium-phosphate.html

$$$$
BLU9931.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (198)
2457

>  <Formula> (198)
C26H22Cl2N4O3

>  <MolWeight> (198)
509.38388

>  <Cat> (198)
S7819

>  <Name> (198)
BLU9931

>  <Synonyms> (198)
N/A

>  <Target> (198)
FGFR

>  <Form> (198)
Free Base

>  <CAS> (198)
1538604-68-0

>  <URL> (198)
http://selleckchem.com/products/blu9931.html

$$$$
TP-0903.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (199)
2459

>  <Formula> (199)
C24H30ClN7O2S

>  <MolWeight> (199)
516.0587

>  <Cat> (199)
S7846

>  <Name> (199)
Dubermatinib(TP-0903)

>  <Synonyms> (199)
N/A

>  <Target> (199)
Apoptosis related,Axl

>  <Form> (199)
Free Base

>  <CAS> (199)
1341200-45-0

>  <URL> (199)
http://selleckchem.com/products/tp-0903.html

$$$$
FLLL32.cdx
csChFnd80/04092414142D

 34 36  0  0  0  0  0  0  0  0999 V2000
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   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (200)
2464

>  <Formula> (200)
C28H32O6

>  <MolWeight> (200)
464.55008

>  <Cat> (200)
S7259

>  <Name> (200)
FLLL32

>  <Synonyms> (200)
N/A

>  <Target> (200)
IFN,Interleukins,JAK

>  <Form> (200)
free base

>  <CAS> (200)
1226895-15-3

>  <URL> (200)
http://selleckchem.com/products/flll32.html

$$$$
Vidofludimus .cdx
csChFnd80/04092414142D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (201)
2475

>  <Formula> (201)
C20H18FNO4

>  <MolWeight> (201)
355.3596232

>  <Cat> (201)
S7262

>  <Name> (201)
Vidofludimus

>  <Synonyms> (201)
SC12267, 4SC-101

>  <Target> (201)
COVID-19,Dehydrogenase

>  <Form> (201)
free base

>  <CAS> (201)
717824-30-1

>  <URL> (201)
http://selleckchem.com/products/vidofludimus.html

$$$$
Tiplaxtinin(PAI-039).cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (202)
2478

>  <Formula> (202)
C24H16F3NO4

>  <MolWeight> (202)
439.3833496

>  <Cat> (202)
S7922

>  <Name> (202)
Tiplaxtinin (PAI-039)

>  <Synonyms> (202)
N/A

>  <Target> (202)
PAI-1

>  <Form> (202)
free base

>  <CAS> (202)
393105-53-8

>  <URL> (202)
http://selleckchem.com/products/tiplaxtinin-pai-039.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (203)
2486

>  <Formula> (203)
C17H16N2O3

>  <MolWeight> (203)
296.32054

>  <Cat> (203)
S7667

>  <Name> (203)
SU5402

>  <Synonyms> (203)
N/A

>  <Target> (203)
FGFR,PDGFR,VEGFR

>  <Form> (203)
free base

>  <CAS> (203)
215543-92-3

>  <URL> (203)
http://selleckchem.com/products/su5402.html

$$$$
UNC2025.cdx
csChFnd80/04092414142D

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M  CFW  15 BOND_GSTEREO 5
M  CFW  38 BOND_GSTEREO 4
M  END
>  <Mol_ID> (204)
2488

>  <Formula> (204)
C28H41ClN6O

>  <MolWeight> (204)
513.11774

>  <Cat> (204)
S7576

>  <Name> (204)
UNC2025 HCl

>  <Synonyms> (204)
UNC2025 hydrochloride

>  <Target> (204)
Axl,FLT3,Mertk,Tyro3

>  <Form> (204)
hydrochloride salt

>  <CAS> (204)
2070015-17-5

>  <URL> (204)
http://selleckchem.com/products/unc-2025.html

$$$$
ONC201.cdx
csChFnd80/04092414142D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (205)
2490

>  <Formula> (205)
C24H26N4O

>  <MolWeight> (205)
386.48944

>  <Cat> (205)
S7963

>  <Name> (205)
TIC10 (ONC201)

>  <Synonyms> (205)
ONC201

>  <Target> (205)
Akt,Apoptosis related,ERK,TNF-alpha

>  <Form> (205)
free base

>  <CAS> (205)
1616632-77-9

>  <URL> (205)
http://selleckchem.com/products/tic-10.html

$$$$
S3871 Muscone.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (206)
2524

>  <Formula> (206)
C16H30O

>  <MolWeight> (206)
238.4088

>  <Cat> (206)
S3871

>  <Name> (206)
Muscone

>  <Synonyms> (206)
3-Methylcyclopentadecanone, Methylexaltone

>  <Target> (206)
Immunology & Inflammation related,Interleukins,NF-¦ÊB,NLRP3,TNF-alpha

>  <Form> (206)
free base

>  <CAS> (206)
541-91-3

>  <URL> (206)
http://selleckchem.com/products/muscone.html

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (207)
2530

>  <Formula> (207)
C17H15N9

>  <MolWeight> (207)
345.3613

>  <Cat> (207)
S7674

>  <Name> (207)
Savolitinib (AZD6094)

>  <Synonyms> (207)
HMPL-504, Volitinib

>  <Target> (207)
c-Met

>  <Form> (207)
free base

>  <CAS> (207)
1313725-88-0

>  <URL> (207)
http://selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
SC144.cdx
csChFnd80/04092414142D

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P-gp

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free base

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895158-95-9

>  <URL> (208)
http://selleckchem.com/products/sc144.html

$$$$
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TGF-beta/Smad

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446859-33-2

>  <URL> (209)
http://selleckchem.com/products/repsox.html

$$$$
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EGFR

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free base

>  <CAS> (210)
1374640-70-6

>  <URL> (210)
http://selleckchem.com/products/co-1686.html

$$$$
pentoxifylline.cdx
csChFnd80/04092414142D

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PDE

>  <Form> (211)
Free Base

>  <CAS> (211)
6493-05-6

>  <URL> (211)
http://www.selleckchem.com/products/pentoxifylline.html

$$$$
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M  END
>  <Mol_ID> (212)
2647

>  <Formula> (212)
C18H15N2NaO4

>  <MolWeight> (212)
346.31247

>  <Cat> (212)
S7167

>  <Name> (212)
SSR128129E

>  <Synonyms> (212)
SSR

>  <Target> (212)
FGFR

>  <Form> (212)
free base

>  <CAS> (212)
848318-25-2

>  <URL> (212)
http://selleckchem.com/products/ssr128129e.html

$$$$
Pacritinib (SB1518).cdx
csChFnd80/04092414142D

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>  <Mol_ID> (213)
2658

>  <Formula> (213)
C28H32N4O3

>  <MolWeight> (213)
472.57868

>  <Cat> (213)
S8057

>  <Name> (213)
Pacritinib (SB1518)

>  <Synonyms> (213)
N/A

>  <Target> (213)
FLT3,JAK

>  <Form> (213)
free base

>  <CAS> (213)
937272-79-2

>  <URL> (213)
http://selleckchem.com/products/pacritinib-sb1518.html

$$$$
Sorafenib.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (214)
2661

>  <Formula> (214)
C21H16ClF3N4O3

>  <MolWeight> (214)
464.8249496

>  <Cat> (214)
S7397

>  <Name> (214)
Sorafenib (BAY 43-9006)

>  <Synonyms> (214)
NSC-724772,BAY 43-9006

>  <Target> (214)
Apoptosis related,Autophagy,Ferroptosis,FLT3,PDGFR,Raf,VEGFR

>  <Form> (214)
Free Base

>  <CAS> (214)
284461-73-0

>  <URL> (214)
http://selleckchem.com/products/sorafenib.html

$$$$
ASP3026   structure.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (215)
2671

>  <Formula> (215)
C29H40N8O3S

>  <MolWeight> (215)
580.7447

>  <Cat> (215)
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>  <Name> (215)
ASP3026

>  <Synonyms> (215)
N/A

>  <Target> (215)
ALK

>  <Form> (215)
free base

>  <CAS> (215)
1097917-15-1

>  <URL> (215)
http://selleckchem.com/products/asp3026.html

$$$$
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csChFnd80/04092414142D

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>  <Mol_ID> (216)
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>  <Formula> (216)
C24H36N6O2

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UNC2250

>  <Synonyms> (216)
N/A

>  <Target> (216)
Mertk

>  <Form> (216)
Free Base

>  <CAS> (216)
1493694-70-4

>  <URL> (216)
http://selleckchem.com/products/unc2250.html

$$$$
LM-3151 K 02288.cdx
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>  <Mol_ID> (217)
2683

>  <Formula> (217)
C20H20N2O4

>  <MolWeight> (217)
352.3838

>  <Cat> (217)
S7359

>  <Name> (217)
K02288

>  <Synonyms> (217)
N/A

>  <Target> (217)
TGF-beta/Smad

>  <Form> (217)
free base

>  <CAS> (217)
1431985-92-0

>  <URL> (217)
http://selleckchem.com/products/k02288.html

$$$$
AdipoRon.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (218)
2684

>  <Formula> (218)
C27H28N2O3

>  <MolWeight> (218)
428.52282

>  <Cat> (218)
S7365

>  <Name> (218)
AdipoRon

>  <Synonyms> (218)
SC-396658

>  <Target> (218)
AdipoR

>  <Form> (218)
free base

>  <CAS> (218)
924416-43-3

>  <URL> (218)
http://selleckchem.com/products/AdipoRon.html

$$$$
LDN193189 HCl.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (219)
2704

>  <Formula> (219)
C25H23ClN6

>  <MolWeight> (219)
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>  <Cat> (219)
S7507

>  <Name> (219)
LDN-193189 2HCl

>  <Synonyms> (219)
DM-3189 2HCl

>  <Target> (219)
TGF-beta/Smad

>  <Form> (219)
Hydrochloride

>  <CAS> (219)
1435934-00-1

>  <URL> (219)
http://selleckchem.com/products/ldn-193189-2hcl.html

$$$$
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>  <Mol_ID> (220)
2706

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C13H12N4O2S2

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S7258

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SKLB1002

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N/A

>  <Target> (220)
VEGFR

>  <Form> (220)
free base

>  <CAS> (220)
1225451-84-2

>  <URL> (220)
http://selleckchem.com/products/sklb1002.html

$$$$
VGX-1027.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (221)
2712

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C11H11NO3

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205.20994

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S7515

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VGX-1027

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GIT 27

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Immunology & Inflammation related

>  <Form> (221)
free base

>  <CAS> (221)
6501-72-0

>  <URL> (221)
http://selleckchem.com/products/vgx-1027.html

$$$$
ML347.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (222)
2718

>  <Formula> (222)
C22H16N4O

>  <MolWeight> (222)
352.38864

>  <Cat> (222)
S7148

>  <Name> (222)
ML347

>  <Synonyms> (222)
LDN-193719

>  <Target> (222)
TGF-beta/Smad

>  <Form> (222)
free base

>  <CAS> (222)
1062368-49-3

>  <URL> (222)
http://selleckchem.com/products/ml347.html

$$$$
GS-9973.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (223)
2720

>  <Formula> (223)
C23H21N7O

>  <MolWeight> (223)
411.45914

>  <Cat> (223)
S7523

>  <Name> (223)
Entospletinib (GS-9973)

>  <Synonyms> (223)
N/A

>  <Target> (223)
Syk

>  <Form> (223)
free base

>  <CAS> (223)
1229208-44-9

>  <URL> (223)
http://selleckchem.com/products/gs-9973.html

$$$$
DMH1.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (224)
2722

>  <Formula> (224)
C24H20N4O

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DMH1

>  <Synonyms> (224)
N/A

>  <Target> (224)
Autophagy,TGF-beta/Smad

>  <Form> (224)
free base

>  <CAS> (224)
1206711-16-1

>  <URL> (224)
http://selleckchem.com/products/dmh1.html

$$$$
LDN-212854.cdx
csChFnd80/04092414142D

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C25H22N6

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LDN-212854

>  <Synonyms> (225)
BMP Inhibitor III

>  <Target> (225)
TGF-beta/Smad

>  <Form> (225)
free base

>  <CAS> (225)
1432597-26-6

>  <URL> (225)
http://selleckchem.com/products/ldn-212854.html

$$$$
LM-3093 AZD9291.cdx
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>  <Formula> (226)
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S7297

>  <Name> (226)
Osimertinib (AZD9291)

>  <Synonyms> (226)
Mereletinib

>  <Target> (226)
EGFR

>  <Form> (226)
free base

>  <CAS> (226)
1421373-65-0

>  <URL> (226)
http://selleckchem.com/products/azd9291.html

$$$$
UNC2881.cdx
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2756

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C25H33N7O2

>  <MolWeight> (227)
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>  <Cat> (227)
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>  <Name> (227)
UNC2881

>  <Synonyms> (227)
N/A

>  <Target> (227)
Axl,Mertk,Tyro3

>  <Form> (227)
free base

>  <CAS> (227)
1493764-08-1

>  <URL> (227)
http://selleckchem.com/products/unc2881.html

$$$$
TAPI-1.cdx
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2775

>  <Formula> (228)
C26H37N5O5

>  <MolWeight> (228)
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>  <Cat> (228)
S7434

>  <Name> (228)
TAPI-1

>  <Synonyms> (228)
N/A

>  <Target> (228)
Immunology & Inflammation related,MMP

>  <Form> (228)
free base

>  <CAS> (228)
171235-71-5

>  <URL> (228)
http://selleckchem.com/products/tapi-1.html

$$$$
GNF5837.cdx
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Trk receptor

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free base

>  <CAS> (229)
1033769-28-6

>  <URL> (229)
http://selleckchem.com/products/gnf-5837.html

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LY2874455

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N/A

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FGFR,VEGFR

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free base

>  <CAS> (230)
1254473-64-7

>  <URL> (230)
http://selleckchem.com/products/ly2874455.html

$$$$
G-749.cdx
csChFnd80/04092414142D

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G-749

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FLT3

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free base

>  <CAS> (231)
1457983-28-6

>  <URL> (231)
http://selleckchem.com/products/g-749.html

$$$$
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TGF-beta/Smad

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>  <CAS> (232)
1352608-82-2

>  <URL> (232)
http://selleckchem.com/products/ew-7197.html

$$$$
Kartogenin.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (233)
2847

>  <Formula> (233)
C20H15NO3

>  <MolWeight> (233)
317.338

>  <Cat> (233)
S7658

>  <Name> (233)
Kartogenin

>  <Synonyms> (233)
KGN

>  <Target> (233)
TGF-beta/Smad

>  <Form> (233)
free base

>  <CAS> (233)
4727-31-5

>  <URL> (233)
http://selleckchem.com/products/kartogenin.html

$$$$
SB225002.cdx
csChFnd80/04092414142D

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2864

>  <Formula> (234)
C13H10BrN3O4

>  <MolWeight> (234)
352.1402

>  <Cat> (234)
S7651

>  <Name> (234)
SB225002

>  <Synonyms> (234)
N/A

>  <Target> (234)
CXCR

>  <Form> (234)
free base

>  <CAS> (234)
182498-32-4

>  <URL> (234)
http://selleckchem.com/products/sb225002.html

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/04092414142D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (235)
2880

>  <Formula> (235)
C22H22O8

>  <MolWeight> (235)
414.40528

>  <Cat> (235)
S7668

>  <Name> (235)
Picropodophyllin (PPP)

>  <Synonyms> (235)
AXL1717

>  <Target> (235)
Apoptosis related,IGF-1R

>  <Form> (235)
free base

>  <CAS> (235)
477-47-4

>  <URL> (235)
http://selleckchem.com/products/picropodophyllin-ppp.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (236)
2896

>  <Formula> (236)
C23H21Cl2FN4O3

>  <MolWeight> (236)
491.3422432

>  <Cat> (236)
S7358

>  <Name> (236)
Poziotinib (HM781-36B)

>  <Synonyms> (236)
NOV120101

>  <Target> (236)
Apoptosis related,EGFR,HER2

>  <Form> (236)
free base

>  <CAS> (236)
1092364-38-9

>  <URL> (236)
http://selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
SD208.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (237)
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C17H10ClFN6

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SD-208

>  <Synonyms> (237)
N/A

>  <Target> (237)
TGF-beta/Smad

>  <Form> (237)
free base

>  <CAS> (237)
627536-09-8

>  <URL> (237)
http://selleckchem.com/products/sd-208.html

$$$$
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2917

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C30H26F2N4O5

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560.5480464

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LDC1267

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N/A

>  <Target> (238)
Axl,Mertk,Tyro3

>  <Form> (238)
free base

>  <CAS> (238)
1361030-48-9

>  <URL> (238)
http://selleckchem.com/products/ldc1267.html

$$$$

csChFnd80/04092414142D

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2920

>  <Formula> (239)
C24H29FN6O5

>  <MolWeight> (239)
500.5226632

>  <Cat> (239)
S7765

>  <Name> (239)
Dovitinib (TKI258) Lactate monohydrate

>  <Synonyms> (239)
CHIR258

>  <Target> (239)
c-Kit,FGFR,FLT3,PDGFR,VEGFR

>  <Form> (239)
Lactate monohydrate

>  <CAS> (239)
915769-50-5 (monohydrate)

>  <URL> (239)
http://selleckchem.com/products/dovitinib-tki258-lactate.html

$$$$
BLZ945.cdx
csChFnd80/04092414142D

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2921

>  <Formula> (240)
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398.47868

>  <Cat> (240)
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>  <Name> (240)
BLZ945

>  <Synonyms> (240)
Sotuletinib

>  <Target> (240)
CSF-1R

>  <Form> (240)
free base

>  <CAS> (240)
953769-46-5

>  <URL> (240)
http://selleckchem.com/products/blz945.html

$$$$
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Zoligratinib (Debio-1347)

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CH5183284, FF284

>  <Target> (241)
FGFR

>  <Form> (241)
free base

>  <CAS> (241)
1265229-25-1

>  <URL> (241)
http://selleckchem.com/products/ch5183284-debio-1347.html

$$$$
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csChFnd80/04092414142D

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>  <Formula> (242)
C22H21N3O3S

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>  <Cat> (242)
S7745

>  <Name> (242)
ANA-12

>  <Synonyms> (242)
N/A

>  <Target> (242)
Trk receptor

>  <Form> (242)
free base

>  <CAS> (242)
219766-25-3

>  <URL> (242)
http://selleckchem.com/products/ana-12.html

$$$$
LM-3573.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (243)
2936

>  <Formula> (243)
C22H28ClN7O3S

>  <MolWeight> (243)
506.02082

>  <Cat> (243)
S7782

>  <Name> (243)
Dasatinib Monohydrate

>  <Synonyms> (243)
BMS-354825 Monohydrate

>  <Target> (243)
Bcr-Abl,c-Kit,Src

>  <Form> (243)
Monohydrate

>  <CAS> (243)
863127-77-9

>  <URL> (243)
http://selleckchem.com/products/dasatinib-monohydrate.html

$$$$
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csChFnd80/04092414142D

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>  <Mol_ID> (244)
2937

>  <Formula> (244)
C22H27FN4O2

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>  <Cat> (244)
S7781

>  <Name> (244)
Sunitinib (SU11248)

>  <Synonyms> (244)
SU11248

>  <Target> (244)
Apoptosis related,Autophagy,c-Kit,IRE1,PDGFR,VEGFR

>  <Form> (244)
free base

>  <CAS> (244)
557795-19-4

>  <URL> (244)
http://selleckchem.com/products/sunitinib.html

$$$$
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M  END
>  <Mol_ID> (245)
2939

>  <Formula> (245)
C22H23N3O4

>  <MolWeight> (245)
393.43572

>  <Cat> (245)
S7786

>  <Name> (245)
Erlotinib (OSI-774)

>  <Synonyms> (245)
CP358774, NSC 718781, Tarceva

>  <Target> (245)
Autophagy,EGFR

>  <Form> (245)
free base

>  <CAS> (245)
183321-74-6

>  <URL> (245)
http://selleckchem.com/products/erlotinib.html

$$$$
CL-387785.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (246)
2941

>  <Formula> (246)
C18H13BrN4O

>  <MolWeight> (246)
381.22602

>  <Cat> (246)
S7557

>  <Name> (246)
CL-387785 (EKI-785)

>  <Synonyms> (246)
WAY-EKI 785

>  <Target> (246)
EGFR

>  <Form> (246)
free base

>  <CAS> (246)
194423-06-8

>  <URL> (246)
http://selleckchem.com/products/cl-387785-eki-785.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (247)
2953

>  <Formula> (247)
C32H33ClFN5O11

>  <MolWeight> (247)
718.0827232

>  <Cat> (247)
S7810

>  <Name> (247)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (247)
N/A

>  <Target> (247)
Autophagy,EGFR,HER2

>  <Form> (247)
Dimaleate

>  <CAS> (247)
850140-73-7

>  <URL> (247)
http://selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
LDN-214117.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (248)
2959

>  <Formula> (248)
C25H29N3O3

>  <MolWeight> (248)
419.51606

>  <Cat> (248)
S7627

>  <Name> (248)
LDN-214117

>  <Synonyms> (248)
N/A

>  <Target> (248)
TGF-beta/Smad

>  <Form> (248)
free base

>  <CAS> (248)
1627503-67-6

>  <URL> (248)
http://selleckchem.com/products/ldn-214117.html

$$$$
AZD2932.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (249)
2962

>  <Formula> (249)
C24H25N5O4

>  <MolWeight> (249)
447.4864

>  <Cat> (249)
S7003

>  <Name> (249)
AZD2932

>  <Synonyms> (249)
N/A

>  <Target> (249)
c-Kit,FLT3,PDGFR,VEGFR

>  <Form> (249)
free base

>  <CAS> (249)
883986-34-3

>  <URL> (249)
http://selleckchem.com/products/azd2932.html

$$$$
ARRY-614.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (250)
2977

>  <Formula> (250)
C31H33FN6O3

>  <MolWeight> (250)
556.6305232

>  <Cat> (250)
S7799

>  <Name> (250)
Pexmetinib (ARRY-614)

>  <Synonyms> (250)
N/A

>  <Target> (250)
p38 MAPK,Tie-2

>  <Form> (250)
free base

>  <CAS> (250)
945614-12-0

>  <URL> (250)
http://selleckchem.com/products/pexmetinib-arry-614.html

$$$$
PLX3397.cdx
csChFnd80/04092414142D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (251)
2983

>  <Formula> (251)
C20H15ClF3N5

>  <MolWeight> (251)
417.8148096

>  <Cat> (251)
S7818

>  <Name> (251)
Pexidartinib (PLX3397)

>  <Synonyms> (251)
N/A

>  <Target> (251)
Apoptosis related,c-Kit,CSF-1R,FLT3

>  <Form> (251)
free base

>  <CAS> (251)
1029044-16-3

>  <URL> (251)
http://selleckchem.com/products/pexidartinib-plx3397.html

$$$$
Entrectinib (RXDX-101, NMS-E628).cdx
csChFnd80/04092414142D

 41 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (252)
3003

>  <Formula> (252)
C31H34F2N6O2

>  <MolWeight> (252)
560.6374664

>  <Cat> (252)
S7998

>  <Name> (252)
Entrectinib (RXDX-101)

>  <Synonyms> (252)
NMS-E628

>  <Target> (252)
ALK,Autophagy,ROS1,Trk receptor

>  <Form> (252)
free base

>  <CAS> (252)
1108743-60-7

>  <URL> (252)
http://selleckchem.com/products/entrectinib-rxdx-101.html

$$$$
FIIN-2.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (253)
3011

>  <Formula> (253)
C35H38N8O4

>  <MolWeight> (253)
634.72742

>  <Cat> (253)
S7714

>  <Name> (253)
FIIN-2

>  <Synonyms> (253)
N/A

>  <Target> (253)
FGFR

>  <Form> (253)
free base

>  <CAS> (253)
1633044-56-0

>  <URL> (253)
http://selleckchem.com/products/fiin-2.html

$$$$
AZD3759.cdx
csChFnd80/04092414142D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (254)
3029

>  <Formula> (254)
C22H23ClFN5O3

>  <MolWeight> (254)
459.9011232

>  <Cat> (254)
S7971

>  <Name> (254)
Zorifertinib (AZD3759)

>  <Synonyms> (254)
N/A

>  <Target> (254)
EGFR

>  <Form> (254)
free base

>  <CAS> (254)
1626387-80-1

>  <URL> (254)
http://selleckchem.com/products/azd3759.html

$$$$
Resiquimod.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (255)
3030

>  <Formula> (255)
C17H22N4O2

>  <MolWeight> (255)
314.38218

>  <Cat> (255)
S8133

>  <Name> (255)
Resiquimod (R-848)

>  <Synonyms> (255)
S28463

>  <Target> (255)
HCV,IFN,Interleukins,TLR,TNF-alpha

>  <Form> (255)
free base

>  <CAS> (255)
144875-48-9

>  <URL> (255)
http://selleckchem.com/products/resiquimod.html

$$$$
GSK481.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (256)
3124

>  <Formula> (256)
C21H19N3O4

>  <MolWeight> (256)
377.39326

>  <Cat> (256)
S8169

>  <Name> (256)
GSK481

>  <Synonyms> (256)
N/A

>  <Target> (256)
RIP kinase

>  <Form> (256)
free base

>  <CAS> (256)
1622849-58-4

>  <URL> (256)
http://selleckchem.com/products/gsk481.html

$$$$
AMG337.cdx
csChFnd80/04092414142D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (257)
3131

>  <Formula> (257)
C23H22FN7O3

>  <MolWeight> (257)
463.4642832

>  <Cat> (257)
S8167

>  <Name> (257)
AMG 337

>  <Synonyms> (257)
N/A

>  <Target> (257)
c-Met

>  <Form> (257)
free base

>  <CAS> (257)
1173699-31-4

>  <URL> (257)
http://selleckchem.com/products/amg-337.html

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/04092414142D

 35 39  0  0  0  0  0  0  0  0999 V2000
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (258)
3146

>  <Formula> (258)
C26H26N6O2S

>  <MolWeight> (258)
486.58864

>  <Cat> (258)
S8294

>  <Name> (258)
Olmutinib (BI 1482694)

>  <Synonyms> (258)
HM61713

>  <Target> (258)
BTK,EGFR

>  <Form> (258)
free base

>  <CAS> (258)
1353550-13-6

>  <URL> (258)
http://selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
S4690 Vitamin E.cdx
csChFnd80/04092414142D

 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
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    2.4230    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  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
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  7 10  1  0  0  0  0
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 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 18 20  1  6  0  0  0
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 23 25  1  6  0  0  0
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 28 30  1  0  0  0  0
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M  END
>  <Mol_ID> (259)
3158

>  <Formula> (259)
C29H50O2

>  <MolWeight> (259)
430.7061

>  <Cat> (259)
S4686

>  <Name> (259)
Vitamin E

>  <Synonyms> (259)
Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (259)
COX,VEGFR

>  <Form> (259)
free base

>  <CAS> (259)
59-02-9

>  <URL> (259)
http://selleckchem.com/products/vitamin-e.html

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/04092414142D

 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
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 10  5  1  0  0  0  0
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 14 15  2  0  0  0  0
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 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (260)
3163

>  <Formula> (260)
C15H10O4

>  <MolWeight> (260)
254.2375

>  <Cat> (260)
S8319

>  <Name> (260)
7,8-Dihydroxyflavone

>  <Synonyms> (260)
7,8-DHF

>  <Target> (260)
Trk receptor

>  <Form> (260)
free base

>  <CAS> (260)
38183-03-8

>  <URL> (260)
http://selleckchem.com/products/7-8-dihydroxyflavone.html

$$$$
SIS3.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (261)
3184

>  <Formula> (261)
C28H28ClN3O3

>  <MolWeight> (261)
489.99322

>  <Cat> (261)
S7959

>  <Name> (261)
SIS3 HCl

>  <Synonyms> (261)
N/A

>  <Target> (261)
TGF-beta/Smad

>  <Form> (261)
hydrochloride

>  <CAS> (261)
521984-48-5

>  <URL> (261)
https://www.selleckchem.com/products/sis3-hcl.html

$$$$
EAI045.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (262)
3191

>  <Formula> (262)
C19H14FN3O3S

>  <MolWeight> (262)
383.3961632

>  <Cat> (262)
S8242

>  <Name> (262)
EAI045

>  <Synonyms> (262)
N/A

>  <Target> (262)
EGFR

>  <Form> (262)
free base

>  <CAS> (262)
1942114-09-1

>  <URL> (262)
http://selleckchem.com/products/eai045.html

$$$$
ATI-2341.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (263)
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>  <Cat> (263)
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>  <Name> (263)
ATI-2341

>  <Synonyms> (263)
N/A

>  <Target> (263)
CXCR

>  <Form> (263)
free base

>  <CAS> (263)
1337878-62-2

>  <URL> (263)
http://selleckchem.com/products/ati-2341.html

$$$$
Shikonin.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (264)
3193

>  <Formula> (264)
C16H16O5

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288.29524

>  <Cat> (264)
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>  <Name> (264)
Shikonin (C.I. 75535)

>  <Synonyms> (264)
Anchusin, Anchusa acid, Alkanna Red, Isoarnebin 4, NSC 252844

>  <Target> (264)
Anti-infection,Chloride Channel,COVID-19,NF-¦ÊB,PKM,Proteasome,TNF-alpha

>  <Form> (264)
free base

>  <CAS> (264)
54952-43-1

>  <URL> (264)
http://selleckchem.com/products/shikonin.html

$$$$
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M  END
>  <Mol_ID> (265)
3201

>  <Formula> (265)
C21H24F2N6O6S

>  <MolWeight> (265)
526.5136664

>  <Cat> (265)
S7960

>  <Name> (265)
Larotrectinib (LOXO-101) sulfate

>  <Synonyms> (265)
ARRY-470, Larotrectinib

>  <Target> (265)
Apoptosis related,Trk receptor

>  <Form> (265)
sulfate

>  <CAS> (265)
1223405-08-0

>  <URL> (265)
http://selleckchem.com/products/loxo-101.html

$$$$
NSC228155.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (266)
3205

>  <Formula> (266)
C11H6N4O4S

>  <MolWeight> (266)
290.25474

>  <Cat> (266)
S8312

>  <Name> (266)
NSC228155

>  <Synonyms> (266)
N/A

>  <Target> (266)
EGFR

>  <Form> (266)
free base

>  <CAS> (266)
113104-25-9

>  <URL> (266)
http://selleckchem.com/products/nsc228155.html

$$$$
ZK756326.cdx
csChFnd80/04092414142D

 28 28  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (267)
3207

>  <Formula> (267)
C21H30Cl2N2O3

>  <MolWeight> (267)
429.3805

>  <Cat> (267)
S8324

>  <Name> (267)
ZK756326 2HCl

>  <Synonyms> (267)
N/A

>  <Target> (267)
CCR

>  <Form> (267)
Dihydrochloride

>  <CAS> (267)
874911-96-3

>  <URL> (267)
http://selleckchem.com/products/zk756326.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/04092414142D

 31 34  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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M  END
>  <Mol_ID> (268)
3218

>  <Formula> (268)
C22H15F3N4O2

>  <MolWeight> (268)
424.3753096

>  <Cat> (268)
S8189

>  <Name> (268)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (268)
N/A

>  <Target> (268)
c-RET,Raf,VEGFR

>  <Form> (268)
free base

>  <CAS> (268)
861875-60-7

>  <URL> (268)
http://selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Alantolactone.cdx
csChFnd80/04092414142D

 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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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (269)
3223

>  <Formula> (269)
C15H20O2

>  <MolWeight> (269)
232.3181

>  <Cat> (269)
S8318

>  <Name> (269)
Alantolactone

>  <Synonyms> (269)
helenin, helenine, Eupatal

>  <Target> (269)
TGF-beta/Smad

>  <Form> (269)
free base

>  <CAS> (269)
546-43-0

>  <URL> (269)
http://selleckchem.com/products/alantolactone.html

$$$$
AS101.cdx
csChFnd80/04092414142D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (270)
3226

>  <Formula> (270)
C2H8Cl3NO2Te

>  <MolWeight> (270)
312.04942

>  <Cat> (270)
S8301

>  <Name> (270)
Ossirene

>  <Synonyms> (270)
AS101

>  <Target> (270)
Immunology & Inflammation related,Interleukins

>  <Form> (270)
Coordination Co

>  <CAS> (270)
106566-58-9

>  <URL> (270)
http://selleckchem.com/products/as101.html

$$$$
BFH772.cdx
csChFnd80/04092414142D

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BFH772

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>  <Target> (271)
VEGFR

>  <Form> (271)
free base

>  <CAS> (271)
890128-81-1

>  <URL> (271)
http://selleckchem.com/products/bfh772.html

$$$$
NT157.cdx
csChFnd80/04092414142D

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NT157

>  <Synonyms> (272)
N/A

>  <Target> (272)
IGF-1R

>  <Form> (272)
free base

>  <CAS> (272)
1384426-12-3

>  <URL> (272)
http://selleckchem.com/products/nt157.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/04092414142D

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>  <Formula> (273)
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>  <MolWeight> (273)
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>  <Name> (273)
Tucatinib

>  <Synonyms> (273)
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>  <Target> (273)
EGFR,HER2

>  <Form> (273)
free base

>  <CAS> (273)
937263-43-9

>  <URL> (273)
http://selleckchem.com/products/arry-380-ont-380.html

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/04092414142D

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Merestinib (LY2801653)

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free base

>  <CAS> (274)
1206799-15-6

>  <URL> (274)
http://selleckchem.com/products/ly2801653-merestinib.html

$$$$
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Erdafitinib (JNJ-42756493)

>  <Synonyms> (275)
N/A

>  <Target> (275)
Apoptosis related,c-Kit,c-RET,CSF-1R,FGFR,PDGFR,VEGFR

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free base

>  <CAS> (275)
1346242-81-6

>  <URL> (275)
http://selleckchem.com/products/jnj-42756493-erdafitinib.html

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102586-30-1

>  <URL> (276)
http://selleckchem.com/products/nsc12.html

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1265965-22-7

>  <URL> (277)
http://selleckchem.com/products/s49076.html

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M  END
>  <Mol_ID> (278)
3282

>  <Formula> (278)
C20H19FN4O2S

>  <MolWeight> (278)
398.4538632

>  <Cat> (278)
S8261

>  <Name> (278)
GSK583

>  <Synonyms> (278)
N/A

>  <Target> (278)
Interleukins,RIP kinase,TNF-alpha

>  <Form> (278)
free base

>  <CAS> (278)
1346547-00-9

>  <URL> (278)
http://selleckchem.com/products/gsk583.html

$$$$
AMD3465.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (279)
3300

>  <Formula> (279)
C24H44Br6N6

>  <MolWeight> (279)
896.07036

>  <Cat> (279)
S2879

>  <Name> (279)
AMD3465 hexahydrobromide

>  <Synonyms> (279)
N/A

>  <Target> (279)
CXCR

>  <Form> (279)
HBr

>  <CAS> (279)
185991-07-5, 185991-24-6 (free base)

>  <URL> (279)
http://selleckchem.com/products/amd3465.html

$$$$

csChFnd80/04092414142D

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>  <Mol_ID> (280)
3304

>  <Formula> (280)
C25H27N7O3S2

>  <MolWeight> (280)
537.65698

>  <Cat> (280)
S1099

>  <Name> (280)
SKLB4771 (FLT3-IN-1)

>  <Synonyms> (280)
N/A

>  <Target> (280)
FLT3

>  <Form> (280)
Free Base

>  <CAS> (280)
1370256-78-2

>  <URL> (280)
http://www.selleck.cn/products/sklb4771-flt3-in1.html

$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/04092414142D

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>  <Mol_ID> (281)
3308

>  <Formula> (281)
C30H42N8O3

>  <MolWeight> (281)
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>  <Cat> (281)
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>  <Name> (281)
Naquotinib(ASP8273)

>  <Synonyms> (281)
N/A

>  <Target> (281)
EGFR

>  <Form> (281)
free base

>  <CAS> (281)
1448232-80-1

>  <URL> (281)
http://selleckchem.com/products/naquotinib-asp8273.html

$$$$

csChFnd80/04092414142D

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3319

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C21H18F3N5O

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S2931

>  <Name> (282)
Aurora Kinase Inhibitor III

>  <Synonyms> (282)
N/A

>  <Target> (282)
Aurora Kinase

>  <Form> (282)
Free Base

>  <CAS> (282)
879127-16-9

>  <URL> (282)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

$$$$
SUN11602.cdx
csChFnd80/04092414142D

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3321

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C26H37N5O2

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SUN11602

>  <Synonyms> (283)
N/A

>  <Target> (283)
FGFR

>  <Form> (283)
free base

>  <CAS> (283)
704869-38-5

>  <URL> (283)
http://selleckchem.com/products/sun11602.html

$$$$
Bioymifi.cdx
csChFnd80/04092414142D

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3322

>  <Formula> (284)
C22H12BrN3O4S

>  <MolWeight> (284)
494.31738

>  <Cat> (284)
S7942

>  <Name> (284)
Bioymifi

>  <Synonyms> (284)
N/A

>  <Target> (284)
TNF-alpha

>  <Form> (284)
free base

>  <CAS> (284)
1420071-30-2

>  <URL> (284)
http://selleckchem.com/products/bioymifi.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/04092414142D

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>  <Mol_ID> (285)
3325

>  <Formula> (285)
C26H31ClN6O2

>  <MolWeight> (285)
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>  <Cat> (285)
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>  <Name> (285)
Nazartinib (EGF816)

>  <Synonyms> (285)
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>  <Target> (285)
EGFR

>  <Form> (285)
free base

>  <CAS> (285)
1508250-71-2

>  <URL> (285)
http://selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
PD-166866.cdx
csChFnd80/04092414142D

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PD-166866 (PD166866)

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N/A

>  <Target> (286)
FGFR

>  <Form> (286)
free base

>  <CAS> (286)
192705-79-6

>  <URL> (286)
http://selleckchem.com/products/pd-166866.html

$$$$
BLU-554.cdx
csChFnd80/04092414142D

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>  <Formula> (287)
C24H24Cl2N4O4

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>  <Cat> (287)
S8503

>  <Name> (287)
Fisogatinib (BLU-554)

>  <Synonyms> (287)
N/A

>  <Target> (287)
FGFR

>  <Form> (287)
free base

>  <CAS> (287)
1707289-21-1

>  <URL> (287)
http://selleckchem.com/products/blu-554.html

$$$$
DAPTA.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (288)
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>  <Formula> (288)
C35H56N10O15

>  <MolWeight> (288)
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>  <Cat> (288)
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>  <Name> (288)
Adaptavir (DAPTA)

>  <Synonyms> (288)
D-Ala-peptide T-amide, peptide T

>  <Target> (288)
CCR

>  <Form> (288)
free base

>  <CAS> (288)
106362-34-9

>  <URL> (288)
http://selleckchem.com/products/dapta.html

$$$$
AD80.cdx
csChFnd80/04092414142D

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AD80

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N/A

>  <Target> (289)
c-RET,S6 Kinase,Src

>  <Form> (289)
free base

>  <CAS> (289)
1384071-99-1

>  <URL> (289)
http://selleckchem.com/products/ad80.html

$$$$
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C31H26F2N4O6

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>  <Cat> (290)
S8570

>  <Name> (290)
RXDX-106 (CEP-40783)

>  <Synonyms> (290)
N/A

>  <Target> (290)
Axl,c-Met,Mertk,Tyro3

>  <Form> (290)
free base

>  <CAS> (290)
1437321-24-8

>  <URL> (290)
http://selleckchem.com/products/rxdx-106-cep-40783.html

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/04092414142D

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>  <Mol_ID> (291)
3368

>  <Formula> (291)
C33H29F2N5O4S

>  <MolWeight> (291)
629.6762664

>  <Cat> (291)
S8573

>  <Name> (291)
Sitravatinib (MGCD516)

>  <Synonyms> (291)
MG-516

>  <Target> (291)
Axl,c-Kit,Ephrin receptor,Trk receptor,VEGFR

>  <Form> (291)
free base

>  <CAS> (291)
1123837-84-2

>  <URL> (291)
http://selleckchem.com/products/sitravatinib-mgcd516.html

$$$$
TPX-0005.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (292)
3372

>  <Formula> (292)
C18H18FN5O2

>  <MolWeight> (292)
355.3662232

>  <Cat> (292)
S8583

>  <Name> (292)
Repotrectinib (TPX-0005)

>  <Synonyms> (292)
N/A

>  <Target> (292)
ALK,ROS1,Src,Trk receptor

>  <Form> (292)
free base

>  <CAS> (292)
1802220-02-5

>  <URL> (292)
http://selleckchem.com/products/tpx-0005.html

$$$$
GSK2982772.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (293)
3373

>  <Formula> (293)
C20H19N5O3

>  <MolWeight> (293)
377.39656

>  <Cat> (293)
S8484

>  <Name> (293)
GSK2982772

>  <Synonyms> (293)
N/A

>  <Target> (293)
RIP kinase,TNF-alpha

>  <Form> (293)
free base

>  <CAS> (293)
1622848-92-3

>  <URL> (293)
http://selleckchem.com/products/gsk2982772.html

$$$$
TAK-659.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (294)
3379

>  <Formula> (294)
C17H22ClFN6O

>  <MolWeight> (294)
380.8475832

>  <Cat> (294)
S8442

>  <Name> (294)
TAK-659

>  <Synonyms> (294)
N/A

>  <Target> (294)
FLT3,Syk

>  <Form> (294)
hydrochloride

>  <CAS> (294)
1952251-28-3

>  <URL> (294)
http://selleckchem.com/products/tak-659.html

$$$$
PF-06273340.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (295)
3384

>  <Formula> (295)
C23H22ClN7O3

>  <MolWeight> (295)
479.91888

>  <Cat> (295)
S8407

>  <Name> (295)
PF-06273340

>  <Synonyms> (295)
N/A

>  <Target> (295)
Trk receptor

>  <Form> (295)
free base

>  <CAS> (295)
1402438-74-7

>  <URL> (295)
http://selleckchem.com/products/pf-06273340.html

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/04092414142D

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>  <Mol_ID> (296)
3391

>  <Formula> (296)
C33H44FN5O3

>  <MolWeight> (296)
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>  <Cat> (296)
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>  <Name> (296)
Belizatinib (TSR-011)

>  <Synonyms> (296)
N/A

>  <Target> (296)
ALK,Trk receptor

>  <Form> (296)
free base

>  <CAS> (296)
1357920-84-3

>  <URL> (296)
http://selleckchem.com/products/tsr-011-belizatinib.html

$$$$
PRN1371.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (297)
3396

>  <Formula> (297)
C26H30Cl2N6O4

>  <MolWeight> (297)
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>  <Cat> (297)
S8578

>  <Name> (297)
PRN1371

>  <Synonyms> (297)
N/A

>  <Target> (297)
CSF-1R,FGFR

>  <Form> (297)
free base

>  <CAS> (297)
1802929-43-6

>  <URL> (297)
http://selleckchem.com/products/prn1371.html

$$$$
Gilteritinib (ASP2215).cdx
csChFnd80/04092414142D

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>  <Mol_ID> (298)
3400

>  <Formula> (298)
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>  <MolWeight> (298)
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>  <Cat> (298)
S7754

>  <Name> (298)
Gilteritinib (ASP2215)

>  <Synonyms> (298)
N/A

>  <Target> (298)
Axl,FLT3

>  <Form> (298)
free base

>  <CAS> (298)
1254053-43-4

>  <URL> (298)
http://selleckchem.com/products/gilteritinib-asp2215.html

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/04092414142D

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>  <Mol_ID> (299)
3418

>  <Formula> (299)
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>  <MolWeight> (299)
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>  <Cat> (299)
S8640

>  <Name> (299)
Reparixin (Repertaxin)

>  <Synonyms> (299)
DF 1681Y

>  <Target> (299)
CXCR

>  <Form> (299)
free base

>  <CAS> (299)
266359-83-5

>  <URL> (299)
http://selleckchem.com/products/reparixin-repertaxin.html

$$$$
H3B-6527.cdx
csChFnd80/04092414142D

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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
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 O   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
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 36 40  1  0  0  0  0
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 41 42  1  0  0  0  0
 40 43  1  0  0  0  0
M  END
>  <Mol_ID> (300)
3454

>  <Formula> (300)
C29H34Cl2N8O4

>  <MolWeight> (300)
629.53746

>  <Cat> (300)
S8675

>  <Name> (300)
H3B-6527

>  <Synonyms> (300)
N/A

>  <Target> (300)
FGFR

>  <Form> (300)
free base

>  <CAS> (300)
1702259-66-2

>  <URL> (300)
http://selleckchem.com/products/h3b-6527.html

$$$$
Takinib.cdx
csChFnd80/04092414142D

 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
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    2.4249    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7563    3.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1792    4.8360    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
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
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M  END
>  <Mol_ID> (301)
3470

>  <Formula> (301)
C18H18N4O2

>  <MolWeight> (301)
322.36112

>  <Cat> (301)
S8663

>  <Name> (301)
Takinib (EDHS-206)

>  <Synonyms> (301)
EDHS-206

>  <Target> (301)
Apoptosis related,IRAK,TAK1

>  <Form> (301)
free base

>  <CAS> (301)
1111556-37-6

>  <URL> (301)
http://selleckchem.com/products/takinib.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/04092414142D

 20 17  0  0  0  0  0  0  0  0999 V2000
    4.7611    3.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3521    3.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5731    2.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282    5.0829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5143    2.5760    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0767    5.8608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5423    5.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921    1.2735    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    5.5489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7231    1.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4104    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2700    0.6897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3514    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    4.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    7.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5820    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6829    0.6064    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5646    6.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 14 16  1  0  0  0  0
  5 20  1  6  0  0  0
M  END
>  <Mol_ID> (302)
3499

>  <Formula> (302)
C6H6Na3O9P

>  <MolWeight> (302)
322.049511

>  <Cat> (302)
S5115

>  <Name> (302)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (302)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (302)
c-Met

>  <Form> (302)
sodium salt

>  <CAS> (302)
66170-10-3

>  <URL> (302)
http://selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
2-D08.cdx
csChFnd80/04092414142D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    8.4870    4.2000    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
    7.2746    6.3000    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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 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (303)
3527

>  <Formula> (303)
C15H10O5

>  <MolWeight> (303)
270.2369

>  <Cat> (303)
S8696

>  <Name> (303)
2-D08

>  <Synonyms> (303)
2',3',4'-trihydroxy flavone

>  <Target> (303)
SUMO

>  <Form> (303)
free base

>  <CAS> (303)
144707-18-6

>  <URL> (303)
http://selleckchem.com/products/2-d08.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/04092414142D

 34 35  0  0  0  0  0  0  0  0999 V2000
   16.9741    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.1330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    6.6330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.5330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.2330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.2330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6114    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0132    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  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
 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
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 11 16  2  0  0  0  0
 10 11  1  0  0  0  0
 13 17  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
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 26 27  1  0  0  0  0
 22 27  2  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 28  1  0  0  0  0
 25 32  1  0  0  0  0
 21 22  1  0  0  0  0
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 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
  3 10  1  0  0  0  0
  9 33  1  0  0  0  0
M  END
>  <Mol_ID> (304)
3567

>  <Formula> (304)
C21H17ClF4N4O4

>  <MolWeight> (304)
500.8306928

>  <Cat> (304)
S5077

>  <Name> (304)
Regorafenib (BAY-734506) Monohydrate

>  <Synonyms> (304)
Fluoro-sorafenib, Resihance, Stivarga, regorafaenib monohydrate

>  <Target> (304)
c-Kit,c-RET,PDGFR,Raf,VEGFR

>  <Form> (304)
monohydrate

>  <CAS> (304)
1019206-88-2

>  <URL> (304)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
SNS-314.cdx
csChFnd80/04092414142D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.1148    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (305)
3585

>  <Formula> (305)
C18H15ClN6OS2

>  <MolWeight> (305)
430.9343

>  <Cat> (305)
S8699

>  <Name> (305)
SNS-314 Mesylate

>  <Synonyms> (305)
N/A

>  <Target> (305)
Aurora Kinase

>  <Form> (305)
Mesylate

>  <CAS> (305)
1146618-41-8

>  <URL> (305)
http://selleckchem.com/products/sns-314.html

$$$$
BMS-935177.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (306)
3593

>  <Formula> (306)
C31H26N4O3

>  <MolWeight> (306)
502.56314

>  <Cat> (306)
S8348

>  <Name> (306)
BMS-935177

>  <Synonyms> (306)
N/A

>  <Target> (306)
BTK,Trk receptor

>  <Form> (306)
free base

>  <CAS> (306)
1231889-53-4

>  <URL> (306)
http://selleckchem.com/products/bms-935177.html

$$$$
ML221.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (307)
3615

>  <Formula> (307)
C17H11N3O6S

>  <MolWeight> (307)
385.35074

>  <Cat> (307)
S8695

>  <Name> (307)
ML221

>  <Synonyms> (307)
N/A

>  <Target> (307)
Angiotensin Receptor

>  <CAS> (307)
877636-42-5

>  <URL> (307)
http://selleckchem.com/products/ml221.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (308)
3682

>  <Formula> (308)
C22H25Cl2FN4O3

>  <MolWeight> (308)
483.3633032

>  <Cat> (308)
S5098

>  <Name> (308)
Gefitinib hydrochloride

>  <Synonyms> (308)
ZD1839 hydrochloride

>  <Target> (308)
EGFR

>  <Form> (308)
hydrochloride

>  <CAS> (308)
184475-55-6

>  <URL> (308)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
GSK'963.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (309)
3730

>  <Formula> (309)
C14H18N2O

>  <MolWeight> (309)
230.30552

>  <Cat> (309)
S8642

>  <Name> (309)
GSK'963

>  <Synonyms> (309)
N/A

>  <Target> (309)
RIP kinase

>  <Form> (309)
free base

>  <CAS> (309)
2049868-46-2

>  <URL> (309)
http://selleckchem.com/products/gsk963.html

$$$$
Anlotinib (AL3818).cdx
csChFnd80/04092414142D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (310)
3733

>  <Formula> (310)
C23H24Cl2FN3O3

>  <MolWeight> (310)
480.3593632

>  <Cat> (310)
S8726

>  <Name> (310)
Anlotinib (AL3818) dihydrochloride

>  <Synonyms> (310)
N/A

>  <Target> (310)
VEGFR

>  <Form> (310)
dihydrochloride

>  <CAS> (310)
1360460-82-7

>  <URL> (310)
http://selleckchem.com/products/anlotinib-al3818.html

$$$$
DCC-2618.cdx
csChFnd80/04092414142D

 36 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (311)
3734

>  <Formula> (311)
C26H21F2N5O3

>  <MolWeight> (311)
489.4734464

>  <Cat> (311)
S8721

>  <Name> (311)
PDGFR inhibitor 1

>  <Synonyms> (311)
N/A

>  <Target> (311)
c-Kit,CSF-1R,PDGFR,VEGFR

>  <CAS> (311)
1225278-16-9

>  <URL> (311)
https://www.selleckchem.com/products/pdgfr-inhibitor-1.html

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/04092414142D

 46 49  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (312)
3768

>  <Formula> (312)
C33H39N5O7S

>  <MolWeight> (312)
649.75706

>  <Cat> (312)
S5234

>  <Name> (312)
Nintedanib Ethanesulfonate Salt

>  <Synonyms> (312)
Intedanib, BIBF 1120

>  <Target> (312)
FGFR,PDGFR,VEGFR

>  <Form> (312)
ethanesulfonate

>  <CAS> (312)
656247-18-6

>  <URL> (312)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/04092414142D

 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> (313)
3770

>  <Formula> (313)
C29H31FN4O7

>  <MolWeight> (313)
566.5774432

>  <Cat> (313)
S5242

>  <Name> (313)
Cediranib Maleate

>  <Synonyms> (313)
AZD-2171 maleate

>  <Target> (313)
VEGFR

>  <Form> (313)
maleate

>  <CAS> (313)
857036-77-2

>  <URL> (313)
http://selleckchem.com/products/cediranib-maleate.html

$$$$
S5459 Aucubin.cdx
csChFnd80/04092414142D

 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> (314)
3829

>  <Formula> (314)
C15H22O9

>  <MolWeight> (314)
346.32978

>  <Cat> (314)
S5459

>  <Name> (314)
Aucubin

>  <Synonyms> (314)
Rhinanthin

>  <Target> (314)
Immunology & Inflammation related

>  <Form> (314)
free base

>  <CAS> (314)
479-98-1

>  <URL> (314)
http://selleckchem.com/products/aucubin.html

$$$$
S5579 Chelidonic acid.cdx
csChFnd80/04092414142D

 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> (315)
3887

>  <Formula> (315)
C7H4O6

>  <MolWeight> (315)
184.10306

>  <Cat> (315)
S5579

>  <Name> (315)
Chelidonic acid

>  <Synonyms> (315)
Jerva acid, Jervaic acid, ¦Ã-Pyrone-2,6-dicarboxylic acid

>  <Target> (315)
Caspase,Decarboxylase,Immunology & Inflammation related,Interleukins,NF-¦ÊB

>  <Form> (315)
free base

>  <CAS> (315)
99-32-1

>  <URL> (315)
http://selleckchem.com/products/chelidonic-acid.html

$$$$
S5584 Citronellol.cdx
csChFnd80/04092414142D

 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> (316)
3891

>  <Formula> (316)
C10H20O

>  <MolWeight> (316)
156.2652

>  <Cat> (316)
S5584

>  <Name> (316)
Citronellol

>  <Synonyms> (316)
Dihydrogeraniol, (¡À)-¦Â-Citronellol

>  <Target> (316)
Apoptosis related,Caspase,RIP kinase,ROS,TNF-alpha

>  <Form> (316)
free base

>  <CAS> (316)
106-22-9

>  <URL> (316)
http://selleckchem.com/products/citronellol.html

$$$$
S5588 Creatine.cdx
csChFnd80/04092414142D

  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
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (317)
3894

>  <Formula> (317)
C4H9N3O2

>  <MolWeight> (317)
131.13316

>  <Cat> (317)
S5588

>  <Name> (317)
Creatine

>  <Synonyms> (317)
Methylguanidoacetic acid

>  <Target> (317)
IFN,JAK

>  <Form> (317)
free base

>  <CAS> (317)
57-00-1

>  <URL> (317)
http://selleckchem.com/products/creatine.html

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/04092414142D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    0.0000 O   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    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
    1.2124    1.4000    0.0000 O   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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 N   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
    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
    6.0622    5.6000    0.0000 O   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
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    6.4876    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    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    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
    0.0000    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2798    2.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6798    2.6677    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (318)
3924

>  <Formula> (318)
C22H23ClN4O7S

>  <MolWeight> (318)
522.95862

>  <Cat> (318)
S5240

>  <Name> (318)
Lenvatinib (E7080) Mesylate

>  <Synonyms> (318)
E7080 mesylate

>  <Target> (318)
c-Kit,c-RET,FGFR,PDGFR,VEGFR

>  <Form> (318)
Mesylate

>  <CAS> (318)
857890-39-2

>  <URL> (318)
http://selleckchem.com/products/lenvatinib-mesylate.html

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/04092414142D

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>  <Mol_ID> (319)
3929

>  <Formula> (319)
C22H28FN4O6P

>  <MolWeight> (319)
494.4530842

>  <Cat> (319)
S5272

>  <Name> (319)
Toceranib phosphate

>  <Synonyms> (319)
Palladia, SU11654

>  <Target> (319)
PDGFR,VEGFR

>  <Form> (319)
phosphate

>  <CAS> (319)
874819-74-6

>  <URL> (319)
https://www.selleckchem.com/products/toceranib-phosphate.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/04092414142D

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>  <Mol_ID> (320)
3974

>  <Formula> (320)
C30H34N8O3

>  <MolWeight> (320)
554.64276

>  <Cat> (320)
S8724

>  <Name> (320)
Lazertinib

>  <Synonyms> (320)
YH25448,GNS-1480

>  <Target> (320)
EGFR

>  <Form> (320)
free base

>  <CAS> (320)
1903008-80-9

>  <URL> (320)
http://selleckchem.com/products/lazertinib-yh25448-gns-1480.html

$$$$
Apremilast (CC-10004).cdx
csChFnd80/04092414142D

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>  <Mol_ID> (321)
3993

>  <Formula> (321)
C22H24N2O7S

>  <MolWeight> (321)
460.50016

>  <Cat> (321)
S8034

>  <Name> (321)
Apremilast (CC-10004)

>  <Synonyms> (321)
CC-10004

>  <Target> (321)
PDE,TNF-alpha

>  <Form> (321)
free base

>  <CAS> (321)
608141-41-9

>  <URL> (321)
http://selleckchem.com/products/apremilast-cc-10004.html

$$$$
S9350 Ethyl 4-Methoxycinnamate.cdx
csChFnd80/04092414142D

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    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> (322)
4005

>  <Formula> (322)
C12H14O3

>  <MolWeight> (322)
206.23776

>  <Cat> (322)
S9350

>  <Name> (322)
Ethyl 4-Methoxycinnamate

>  <Synonyms> (322)
Ethyl p-methoxycinnamate, 4-Methoxycinnamic Acid Ethyl Ester, Ethyl methoxycinnamate, Ethyl para-methoxycinnamate

>  <Target> (322)
Fungal

>  <Form> (322)
free base

>  <CAS> (322)
24393-56-4

>  <URL> (322)
https://www.selleckchem.com/products/ethyl-4-methoxycinnamate.html

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/04092414142D

 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> (323)
4016

>  <Formula> (323)
C8H8O3

>  <MolWeight> (323)
152.14732

>  <Cat> (323)
S9374

>  <Name> (323)
2',5'-Dihydroxyacetophenone

>  <Synonyms> (323)
DHAP, 2-Acetylhydroquinone, Quinacetophenone

>  <Target> (323)
ERK,Interleukins,NF-¦ÊB,NOS,TNF-alpha

>  <CAS> (323)
490-78-8

>  <URL> (323)
https://www.selleckchem.com/products/2-5-dihydroxyacetophenone.html

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/04092414142D

 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> (324)
4018

>  <Formula> (324)
C15H24N2O2

>  <MolWeight> (324)
264.36326

>  <Cat> (324)
S9384

>  <Name> (324)
Sophocarpine Monohydrate

>  <Target> (324)
Immunology & Inflammation related

>  <Form> (324)
free base

>  <CAS> (324)
145572-44-7

>  <URL> (324)
https://www.selleckchem.com/products/sophocarpine-monohydrate.html

$$$$
S9407 Angoroside C.cdx
csChFnd80/04092414142D

 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> (325)
4034

>  <Formula> (325)
C36H48O19

>  <MolWeight> (325)
784.75492

>  <Cat> (325)
S9407

>  <Name> (325)
Angoroside C

>  <Target> (325)
Immunology & Inflammation related

>  <Form> (325)
free base

>  <CAS> (325)
115909-22-3

>  <URL> (325)
https://www.selleckchem.com/products/angoroside-c.html

$$$$
S9414 Cyasterone.cdx
csChFnd80/04092414142D

 40 44  0  0  0  0  0  0  0  0999 V2000
    7.3112    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1113    3.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.3112    2.8877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1113    2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8982    5.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0056    7.3708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6786    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4524    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786    4.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3438    7.6939    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5881    7.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5506    8.6102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524    1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    3.5009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2998    6.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0197    4.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6580    6.9224    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.4307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9171    6.3884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7632    8.2805    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8995    7.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2402    4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2007    8.5639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7086    9.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3366    7.2058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    2.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6589    0.5539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0231    6.0456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3246    9.0299    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  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  1  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 37  1  6  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  1  0  0  0
 14 19  2  0  0  0  0
 14 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  6  0  0  0
 15 22  1  1  0  0  0
 16 23  1  0  0  0  0
 16 38  1  1  0  0  0
 17 24  1  0  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  1  0  0  0
 24 26  1  0  0  0  0
 28 25  1  6  0  0  0
 26 29  1  1  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  1  0  0  0
 31 34  1  0  0  0  0
 31 35  1  1  0  0  0
 32 36  2  0  0  0  0
 32 34  1  0  0  0  0
  8 39  1  6  0  0  0
 20 40  1  6  0  0  0
M  END
>  <Mol_ID> (326)
4041

>  <Formula> (326)
C29H44O8

>  <MolWeight> (326)
520.65486

>  <Cat> (326)
S9414

>  <Name> (326)
Cyasterone

>  <Target> (326)
EGFR

>  <Form> (326)
free base

>  <CAS> (326)
17086-76-9

>  <URL> (326)
https://www.selleckchem.com/products/cyasterone.html

$$$$
S9417 Homoplantaginin.cdx
csChFnd80/04092414142D

 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
    2.4248    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   12.1242    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2123    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.6002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    8.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4248    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  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  4  2  0  0  0  0
  7  5  2  0  0  0  0
  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
 24 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  1  0  0  0
 32 33  1  0  0  0  0
 23 31  1  0  0  0  0
 23 22  1  1  0  0  0
  8 22  1  0  0  0  0
M  END
>  <Mol_ID> (327)
4043

>  <Formula> (327)
C22H22O11

>  <MolWeight> (327)
462.40348

>  <Cat> (327)
S9417

>  <Name> (327)
Homoplantaginin

>  <Synonyms> (327)
Hispidulin-7-glucoside

>  <Target> (327)
Immunology & Inflammation related,Interleukins,I¦ÊB/IKK,NF-¦ÊB,TNF-alpha

>  <Form> (327)
free base

>  <CAS> (327)
17680-84-1

>  <URL> (327)
https://www.selleckchem.com/products/homoplantaginin.html

$$$$
S9428 Brazilin.cdx
csChFnd80/04092414142D

 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
    5.5493    3.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    0.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9733    0.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1876    1.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4964    0.1992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9303    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.5144    5.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2580    7.6525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  1  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  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
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 17  2  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 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> (328)
4052

>  <Formula> (328)
C16H14O5

>  <MolWeight> (328)
286.27936

>  <Cat> (328)
S9428

>  <Name> (328)
Brazilin

>  <Synonyms> (328)
Natural Red 24

>  <Target> (328)
Beta Amyloid

>  <Form> (328)
free base

>  <CAS> (328)
474-07-7

>  <URL> (328)
https://www.selleckchem.com/products/brazilin.html

$$$$
S9437 Echinatin.cdx
csChFnd80/04092414142D

 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
    3.6373    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
    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
    2.4249    0.0000    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
    1.2124    0.7000    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
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 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
M  END
>  <Mol_ID> (329)
4060

>  <Formula> (329)
C16H14O4

>  <MolWeight> (329)
270.27996

>  <Cat> (329)
S9437

>  <Name> (329)
Echinatin

>  <Target> (329)
Immunology & Inflammation related

>  <Form> (329)
free base

>  <CAS> (329)
34221-41-5

>  <URL> (329)
https://www.selleckchem.com/products/echinatin.html

$$$$

csChFnd80/04092414142D

 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
   10.9119    4.2000    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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (330)
4085

>  <Formula> (330)
C16H14O2

>  <MolWeight> (330)
238.28116

>  <Cat> (330)
S5851

>  <Name> (330)
4'-Methoxychalcone

>  <Synonyms> (330)
N/A

>  <Target> (330)
PPAR,TNF-alpha

>  <Form> (330)
Free Base

>  <CAS> (330)
959-23-9

>  <URL> (330)
http://www.selleckchem.com/products/4-methoxychalcone.html

$$$$

csChFnd80/04092414142D

 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
    6.0641    7.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    9.2116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8626    9.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    9.2219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480    5.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2325    4.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9872    2.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8626   11.3119    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5488    4.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2723    7.1130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    7.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0582    1.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6198    3.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3745    2.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7933    5.9853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6708    2.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    7.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8128    0.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4255    0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0043    7.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103    5.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4965    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7361    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
  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
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 26 23  1  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (331)
4110

>  <Formula> (331)
C21H16N2O2S

>  <MolWeight> (331)
360.42894

>  <Cat> (331)
S5913

>  <Name> (331)
Cambinol

>  <Synonyms> (331)
N/A

>  <Target> (331)
Phospholipase (e.g. PLA)

>  <Form> (331)
Free Base

>  <CAS> (331)
14513-15-6

>  <URL> (331)
http://www.selleckchem.com/products/cambinol.html

$$$$

csChFnd80/04092414142D

 35 39  0  0  0  0  0  0  0  0999 V2000
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    8.4870    2.8000    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
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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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   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    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  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
 30 25  1  0  0  0  0
 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> (332)
4141

>  <Formula> (332)
C29H29FN4O

>  <MolWeight> (332)
468.5651632

>  <Cat> (332)
S8609

>  <Name> (332)
Derazantinib(ARQ-087)

>  <Synonyms> (332)
N/A

>  <Target> (332)
FGFR

>  <Form> (332)
Free Base

>  <CAS> (332)
1234356-69-4

>  <URL> (332)
http://www.selleckchem.com/products/derazantinib.html

$$$$

csChFnd80/04092414142D

 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
    0.0000    2.1000    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    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
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.5201    6.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1278    6.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4278    8.0466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0902    4.7490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4569    7.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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  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> (333)
4142

>  <Formula> (333)
C13H12ClN3O2

>  <MolWeight> (333)
277.70628

>  <Cat> (333)
S8641

>  <Name> (333)
Necrostatin 2 racemate (Nec-1s)

>  <Synonyms> (333)
7-Cl-O-Nec1, Necrostatin-1 stable, Necrostatin 1S

>  <Target> (333)
RIP kinase

>  <Form> (333)
racemate

>  <CAS> (333)
852391-15-2

>  <URL> (333)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/04092414142D

 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
    4.1374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1374    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7374    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0374    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3048    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5700    0.8229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2297    5.9380    0.0000 N   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
  5  6  2  0  0  0  0
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  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 10  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 19  1  0  0  0  0
 19 15  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (334)
4146

>  <Formula> (334)
C14H11ClN4S2

>  <MolWeight> (334)
334.84694

>  <Cat> (334)
S8700

>  <Name> (334)
TP0427736 HCl

>  <Synonyms> (334)
N/A

>  <Target> (334)
TGF-beta/Smad

>  <Form> (334)
hydrochloride

>  <CAS> (334)
864374-00-5

>  <URL> (334)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/04092414142D

 36 40  0  0  0  0  0  0  0  0999 V2000
    3.6373   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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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
  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
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 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> (335)
4153

>  <Formula> (335)
C26H26FN7O2

>  <MolWeight> (335)
487.5287432

>  <Cat> (335)
S8741

>  <Name> (335)
Avitinib (AC0010)

>  <Synonyms> (335)
Abivertinib

>  <Target> (335)
BTK,EGFR

>  <Form> (335)
Free Base

>  <CAS> (335)
1557267-42-1

>  <URL> (335)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/04092414142D

 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
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    1.2082    9.0903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (336)
4159

>  <Formula> (336)
C19H15N3O6S

>  <MolWeight> (336)
413.4039

>  <Cat> (336)
S8754

>  <Name> (336)
Alofanib (RPT835)

>  <Synonyms> (336)
N/A

>  <Target> (336)
FGFR

>  <Form> (336)
Free Base

>  <CAS> (336)
1612888-66-0

>  <URL> (336)
http://www.selleckchem.com/products/alofanib-rpt835.html

$$$$

csChFnd80/04092414142D

 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
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   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
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  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
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 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 11  1  0  0  0  0
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 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
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 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> (337)
4161

>  <Formula> (337)
C24H21BrFN5O2

>  <MolWeight> (337)
510.3582432

>  <Cat> (337)
S8757

>  <Name> (337)
Ripretinib (DCC-2618)

>  <Synonyms> (337)
N/A

>  <Target> (337)
c-Kit,PDGFR

>  <Form> (337)
Free Base

>  <CAS> (337)
1442472-39-0

>  <URL> (337)
http://www.selleckchem.com/products/ripretinib-dcc-2618.html

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/04092414142D

 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
    9.7052    6.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159    8.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4945    8.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
   18.9156    5.5392    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   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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    4.8494    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
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  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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  5 23  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
M  END
>  <Mol_ID> (338)
4179

>  <Formula> (338)
C38H46O8

>  <MolWeight> (338)
630.76704

>  <Cat> (338)
S9031

>  <Name> (338)
Gambogenic acid

>  <Target> (338)
EZH1/2,FGFR

>  <Form> (338)
free base

>  <CAS> (338)
173932-75-7

>  <URL> (338)
https://www.selleckchem.com/products/gambogenic-acid.html

$$$$
S9052 Auraptene.cdx
csChFnd80/04092414142D

 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
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  1  2  2  0  0  0  0
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  8 10  1  0  0  0  0
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 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> (339)
4189

>  <Formula> (339)
C19H22O3

>  <MolWeight> (339)
298.37618

>  <Cat> (339)
S9052

>  <Name> (339)
Auraptene

>  <Synonyms> (339)
7-geranyloxycoumarin

>  <Target> (339)
Immunology & Inflammation related,Interleukins,MMP

>  <Form> (339)
free base

>  <CAS> (339)
495-02-3

>  <URL> (339)
https://www.selleckchem.com/products/auraptene.html

$$$$
S9053 Irisflorentin.cdx
csChFnd80/04092414142D

 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> (340)
4190

>  <Formula> (340)
C20H18O8

>  <MolWeight> (340)
386.35212

>  <Cat> (340)
S9053

>  <Name> (340)
Irisflorentin

>  <Synonyms> (340)
FI73921

>  <Target> (340)
Immunology & Inflammation related

>  <Form> (340)
free base

>  <CAS> (340)
41743-73-1

>  <URL> (340)
https://www.selleckchem.com/products/irisflorentin.html

$$$$
S9054 Pectolinarin.cdx
csChFnd80/04092414142D

 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> (341)
4191

>  <Formula> (341)
C29H34O15

>  <MolWeight> (341)
622.57126

>  <Cat> (341)
S9054

>  <Name> (341)
Pectolinarin

>  <Synonyms> (341)
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> (341)
Akt,Apoptosis related,Immunology & Inflammation related,Interleukins,PGES,PI3K

>  <Form> (341)
free base

>  <CAS> (341)
28978-02-1

>  <URL> (341)
https://www.selleckchem.com/products/pectolinarin.html

$$$$
S9062 4-Hydroxyisoleucine.cdx
csChFnd80/04092414142D

 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> (342)
4199

>  <Formula> (342)
C6H13NO3

>  <MolWeight> (342)
147.17232

>  <Cat> (342)
S9062

>  <Name> (342)
4-Hydroxyisoleucine

>  <Synonyms> (342)
(2S, 3R)-2-Amino-4-hydroxy-3-methylpentanoic acid

>  <Target> (342)
Others

>  <Form> (342)
free base

>  <CAS> (342)
781658-23-9

>  <URL> (342)
https://www.selleckchem.com/products/4-hydroxyisoleucine.html

$$$$
S9075 Mulberroside A.cdx
csChFnd80/04092414142D

 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
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9743    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1868    5.5998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3992    6.2998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3992    7.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6117    5.5998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.8242    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6117    4.1998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.8242    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3992    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1868    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3992    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6117    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 12  1  0  0  0  0
  2 10  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
 17 19  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
 26 27  1  0  0  0  0
 22 27  2  0  0  0  0
 23 28  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  1  0  0  0
 39 40  1  0  0  0  0
 30 38  1  0  0  0  0
 30 29  1  1  0  0  0
 25 29  1  0  0  0  0
 21 22  1  0  0  0  0
 15 20  1  0  0  0  0
  1 13  1  0  0  0  0
M  END
>  <Mol_ID> (343)
4211

>  <Formula> (343)
C26H32O14

>  <MolWeight> (343)
568.52388

>  <Cat> (343)
S9075

>  <Name> (343)
Mulberroside A

>  <Synonyms> (343)
FM74212

>  <Target> (343)
Caspase,ERK,Interleukins,JNK,NF-¦ÊB,p38 MAPK,TNF-alpha

>  <Form> (343)
free base

>  <CAS> (343)
102841-42-9

>  <URL> (343)
https://www.selleckchem.com/products/mulberroside-a.html

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/04092414142D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9117    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    5.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  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
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  8 13  1  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
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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
  1 22  1  0  0  0  0
  6 23  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (344)
4216

>  <Formula> (344)
C21H20O6

>  <MolWeight> (344)
368.3799

>  <Cat> (344)
S9080

>  <Name> (344)
Anhydroicaritin

>  <Synonyms> (344)
Cycloicaritin

>  <Target> (344)
Others

>  <Form> (344)
free base

>  <CAS> (344)
118525-40-9

>  <URL> (344)
https://www.selleckchem.com/products/anhydroicaritin.html

$$$$
S9081 Anemoside B4.cdx
csChFnd80/04092414142D

 89 98  0  0  0  0  0  0  0  0999 V2000
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   16.8931   16.7355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.0914   17.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1284   18.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406   18.8274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3433   11.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0797   16.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6571    1.4066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4449    2.1377    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.4734    3.5389    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7038    4.2151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 84 87  1  6  0  0  0
M  END
>  <Mol_ID> (345)
4217

>  <Formula> (345)
C59H96O26

>  <MolWeight> (345)
1221.37794

>  <Cat> (345)
S9081

>  <Name> (345)
Anemoside B4

>  <Synonyms> (345)
Pulchinenoside B4, Chinensioside A, Pulchinenoside C, Pulsatilla saponin B4

>  <Target> (345)
Others

>  <CAS> (345)
129741-57-7

>  <URL> (345)
https://www.selleckchem.com/products/anemoside-b4.html

$$$$
S9090 Corilagin.cdx
csChFnd80/04092414142D

 45 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (346)
4226

>  <Formula> (346)
C27H22O18

>  <MolWeight> (346)
634.45278

>  <Cat> (346)
S9090

>  <Name> (346)
Corilagin

>  <Target> (346)
Immunology & Inflammation related,TNF-alpha

>  <Form> (346)
free base

>  <CAS> (346)
23094-69-1

>  <URL> (346)
https://www.selleckchem.com/products/corilagin.html

$$$$
S9092 Norisoboldine.cdx
csChFnd80/04092414142D

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 10  4  1  0  0  0  0
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 14  5  1  0  0  0  0
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 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
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 17  9  1  0  0  0  0
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M  END
>  <Mol_ID> (347)
4228

>  <Formula> (347)
C18H19NO4

>  <MolWeight> (347)
313.34776

>  <Cat> (347)
S9092

>  <Name> (347)
Norisoboldine

>  <Synonyms> (347)
Laurelliptine

>  <Target> (347)
AhR

>  <Form> (347)
free base

>  <CAS> (347)
23599-69-1

>  <URL> (347)
https://www.selleckchem.com/products/norisoboldine.html

$$$$
S9106 Eleutheroside E.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (348)
4239

>  <Formula> (348)
C34H46O18

>  <MolWeight> (348)
742.71824

>  <Cat> (348)
S9106

>  <Name> (348)
Eleutheroside E

>  <Target> (348)
Immunology & Inflammation related,NF-¦ÊB

>  <Form> (348)
free base

>  <CAS> (348)
39432-56-9

>  <URL> (348)
https://www.selleckchem.com/products/eleutheroside-e.html

$$$$
S9129 20(S)-Ginsenoside Rh1.cdx
csChFnd80/04092414142D

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   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> (349)
4258

>  <Formula> (349)
C36H62O9

>  <MolWeight> (349)
638.87208

>  <Cat> (349)
S9129

>  <Name> (349)
20(S)-Ginsenoside Rh1

>  <Synonyms> (349)
Prosapogenin A2, Sanchinoside B2, Sanchinoside Rh1

>  <Target> (349)
Immunology & Inflammation related,Interleukins,PPAR,TNF-alpha

>  <Form> (349)
free base

>  <CAS> (349)
63223-86-9

>  <URL> (349)
https://www.selleckchem.com/products/20-s-ginsenoside-rh1.html

$$$$
S9136 Neochlorogenic acid.cdx
csChFnd80/04092414142D

 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> (350)
4264

>  <Formula> (350)
C16H18O9

>  <MolWeight> (350)
354.30872

>  <Cat> (350)
S9136

>  <Name> (350)
Neochlorogenic acid

>  <Synonyms> (350)
Neochlorogenate, 5-O-Caffeoylquinic acid

>  <Target> (350)
Antiviral,Bacterial,Immunology & Inflammation related

>  <Form> (350)
free base

>  <CAS> (350)
906-33-2

>  <URL> (350)
https://www.selleckchem.com/products/neochlorogenic-acid.html

$$$$
S9184 Forsythoside B.cdx
csChFnd80/04092414142D

 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> (351)
4301

>  <Formula> (351)
C34H44O19

>  <MolWeight> (351)
756.70176

>  <Cat> (351)
S9184

>  <Name> (351)
Forsythoside B

>  <Target> (351)
Immunology & Inflammation related,Interleukins,I¦ÊB/IKK,NF-¦ÊB,TNF-alpha

>  <Form> (351)
free base

>  <CAS> (351)
81525-13-5

>  <URL> (351)
https://www.selleckchem.com/products/forsythoside-b.html

$$$$
S9185 Nitidine Chloride.cdx
csChFnd80/04092414142D

 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
    5.8340    4.2102    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    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
    4.6370    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3984    2.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0570    4.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6214    4.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4927    4.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7209    2.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1857    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  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
 15 18  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 20  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (352)
4302

>  <Formula> (352)
C21H18ClNO4

>  <MolWeight> (352)
383.82492

>  <Cat> (352)
S9185

>  <Name> (352)
Nitidine Chloride

>  <Target> (352)
Anti-infection

>  <Form> (352)
free base

>  <CAS> (352)
13063-04-2

>  <URL> (352)
https://www.selleckchem.com/products/nitidine-chloride.html

$$$$
S9194 Toddalolactone.cdx
csChFnd80/04092414142D

 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
    6.0622    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6381    4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4303    2.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2793    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4905    2.8027    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7082    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4905    4.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8034    1.0188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    4.8567    0.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6454    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  2  3  2  0  0  0  0
  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> (353)
4308

>  <Formula> (353)
C16H20O6

>  <MolWeight> (353)
308.3264

>  <Cat> (353)
S9194

>  <Name> (353)
Toddalolactone

>  <Target> (353)
PAI-1

>  <Form> (353)
Toddalolactone

>  <CAS> (353)
483-90-9

>  <URL> (353)
https://www.selleckchem.com/products/toddalolactone.html

$$$$

csChFnd80/04092414142D

 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
    9.7652    6.4382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4861    7.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6324    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2737    6.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0613    7.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2737    4.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
   14.3095    8.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8789    7.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0562    5.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0613    4.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0613    2.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8538    2.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491    2.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491    4.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571    4.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4277    2.1009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4277    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2226    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0189    0.6949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    2.1047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  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> (354)
4327

>  <Formula> (354)
C20H20N4O3S

>  <MolWeight> (354)
396.4628

>  <Cat> (354)
S2039

>  <Name> (354)
IRAK inhibitor 6

>  <Synonyms> (354)
N/A

>  <Target> (354)
IRAK

>  <Form> (354)
Free Base

>  <CAS> (354)
1042672-97-8

>  <URL> (354)
http://www.selleck.cn/products/irak-inhibitor-6.html

$$$$
S9236 ¦Á-Cyperone.cdx
csChFnd80/04092414142D

 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> (355)
4337

>  <Formula> (355)
C15H22O

>  <MolWeight> (355)
218.33458

>  <Cat> (355)
S9236

>  <Name> (355)
¦Á-Cyperone

>  <Target> (355)
COX,Interleukins

>  <Form> (355)
free base

>  <CAS> (355)
473-08-5

>  <URL> (355)
https://www.selleckchem.com/products/alpha-cyperone.html

$$$$
S9240 Isofraxidin.cdx
csChFnd80/04092414142D

 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
    4.8497    4.2000    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
    6.0622    2.1000    0.0000 O   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
    6.0622    4.9000    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
    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
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  9 11  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (356)
4340

>  <Formula> (356)
C11H10O5

>  <MolWeight> (356)
222.1941

>  <Cat> (356)
S9240

>  <Name> (356)
Isofraxidin

>  <Synonyms> (356)
6,8-Dimethoxyumbelliferone

>  <Target> (356)
Immunology & Inflammation related

>  <Form> (356)
free base

>  <CAS> (356)
486-21-5

>  <URL> (356)
https://www.selleckchem.com/products/isofraxidin.html

$$$$
S9275 Isoguanosine.cdx
csChFnd80/04092414142D

 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
    0.0000    4.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3960    1.6244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7082    2.0767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8307    4.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  6  0  0  0
 15 18  1  1  0  0  0
 15 16  1  0  0  0  0
 16 19  1  6  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (357)
4365

>  <Formula> (357)
C10H13N5O5

>  <MolWeight> (357)
283.24072

>  <Cat> (357)
S9275

>  <Name> (357)
Isoguanosine

>  <Synonyms> (357)
Crotonoside

>  <Target> (357)
FLT3,HDAC

>  <Form> (357)
free base

>  <CAS> (357)
1818-71-9

>  <URL> (357)
https://www.selleckchem.com/products/isoguanosine.html

$$$$

csChFnd80/04092414142D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.2124    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
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    1.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4678    2.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4745    3.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792    4.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8906    3.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964    2.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1088    1.8837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3882    2.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3234    1.4085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6216    0.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2528    0.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2621    4.6890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8310    1.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6127    1.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    3.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6187    3.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8380    3.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0504    3.9894    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7502    2.7774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3502    5.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
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M  END
>  <Mol_ID> (358)
4366

>  <Formula> (358)
C19H21N3O2S

>  <MolWeight> (358)
355.45394

>  <Cat> (358)
S2070

>  <Name> (358)
ISCK03

>  <Synonyms> (358)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (358)
c-Kit

>  <Form> (358)
Free Base

>  <CAS> (358)
945526-43-2

>  <URL> (358)
http://www.selleck.cn/products/isck03.html

$$$$
S9288 Casticin.cdx
csChFnd80/04092414142D

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M  END
>  <Mol_ID> (359)
4378

>  <Formula> (359)
C19H18O8

>  <MolWeight> (359)
374.34142

>  <Cat> (359)
S9288

>  <Name> (359)
Casticin

>  <Synonyms> (359)
Vitexicarpin

>  <Target> (359)
Immunology & Inflammation related

>  <Form> (359)
free base

>  <CAS> (359)
479-91-4

>  <URL> (359)
https://www.selleckchem.com/products/casticin.html

$$$$
S9313 Atractylenolide III.cdx
csChFnd80/04092414142D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (360)
4396

>  <Formula> (360)
C15H20O3

>  <MolWeight> (360)
248.3175

>  <Cat> (360)
S9313

>  <Name> (360)
Atractylenolide III

>  <Target> (360)
Immunology & Inflammation related

>  <Form> (360)
free base

>  <CAS> (360)
73030-71-4

>  <URL> (360)
https://www.selleckchem.com/products/atractylenolide-iii.html

$$$$
S5667 Fruquintinib.cdx
csChFnd80/04092414142D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (361)
4575

>  <Formula> (361)
C21H19N3O5

>  <MolWeight> (361)
393.39266

>  <Cat> (361)
S5667

>  <Name> (361)
Fruquintinib (HMPL-013)

>  <Target> (361)
VEGFR

>  <CAS> (361)
1194506-26-7

>  <URL> (361)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

csChFnd80/04092414142D

 42 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (362)
4610

>  <Formula> (362)
C29H37N7O5S

>  <MolWeight> (362)
595.71298

>  <Cat> (362)
S5078

>  <Name> (362)
Osimertinib mesylate

>  <Synonyms> (362)
AZD9291 mesylate

>  <Target> (362)
EGFR

>  <Form> (362)
mesylate

>  <CAS> (362)
1421373-66-1

>  <URL> (362)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/04092414142D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.2000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.8497    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    6.4294    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 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
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (363)
4631

>  <Formula> (363)
C16H21Cl2N3

>  <MolWeight> (363)
326.26404

>  <Cat> (363)
S5670

>  <Name> (363)
Chloropyramine hydrochloride

>  <Synonyms> (363)
Halopyramine hydrochloride

>  <Target> (363)
Histamine Receptor

>  <Form> (363)
hydrochloride

>  <CAS> (363)
6170-42-9

>  <URL> (363)
http://www.selleckchem.com/products/chloropyramine-hydrochloride.html

$$$$

csChFnd80/04092414142D

 27 31  0  0  0  0  0  0  0  0999 V2000
    6.1865    2.6736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0061    3.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8538    3.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7596    1.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3989    3.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799    4.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6433    2.3989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1523    1.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4022    1.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8613    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9720    2.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2185    4.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353    5.1989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3647    2.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6076    4.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2185    2.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1848    3.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4345    5.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    5.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5766    3.2348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8224    5.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4058    4.3677    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
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  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 26  2  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (364)
4685

>  <Formula> (364)
C22H21N3O2

>  <MolWeight> (364)
359.42104

>  <Cat> (364)
S5764

>  <Name> (364)
YM 90709

>  <Synonyms> (364)
N/A

>  <Target> (364)
IL Receptor,Interleukins

>  <Form> (364)
Free Base

>  <CAS> (364)
163769-88-8

>  <URL> (364)
http://www.selleckchem.com/products/ym-90709.html

$$$$

csChFnd80/04092414142D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.6373    7.0000    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
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    6.5674    0.0000 N   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
    8.4870    8.4000    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
    9.8185    8.8326    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
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0310    9.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2491   10.1116    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
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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  7  1  1  0  0  0  0
 15  1  2  0  0  0  0
  5  2  2  0  0  0  0
 19  2  1  0  0  0  0
  3  9  2  0  0  0  0
  4  3  1  0  0  0  0
  6  3  1  0  0  0  0
 14  4  1  0  0  0  0
 10  5  1  0  0  0  0
 13  5  1  0  0  0  0
  6 11  2  0  0  0  0
  8  6  1  0  0  0  0
 12  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 14  8  1  0  0  0  0
  9 12  1  0  0  0  0
 18 10  1  0  0  0  0
 11 17  1  0  0  0  0
 17 12  2  0  0  0  0
 13 23  2  0  0  0  0
 16 25  2  0  0  0  0
 24 16  1  0  0  0  0
 20 18  1  0  0  0  0
 28 19  2  0  0  0  0
 26 20  1  0  0  0  0
 27 20  2  0  0  0  0
 23 28  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (365)
4706

>  <Formula> (365)
C22H23N5O

>  <MolWeight> (365)
373.45092

>  <Cat> (365)
S5793

>  <Name> (365)
Motesanib (AMG-706)

>  <Synonyms> (365)
N/A

>  <Target> (365)
VEGFR

>  <Form> (365)
Free Base

>  <CAS> (365)
453562-69-1

>  <URL> (365)
http://www.selleckchem.com/products/motesanib-amg-706.html

$$$$

csChFnd80/04092414142D

 32 36  0  0  0  0  0  0  0  0999 V2000
    2.4534    4.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4534    2.9547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6658    2.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8782    2.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8782    4.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6658    5.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2409    5.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0285    4.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2409    6.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0917    0.0000    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
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 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
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 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
 31 32  1  0  0  0  0
 32 24  1  0  0  0  0
M  END
>  <Mol_ID> (366)
4739

>  <Formula> (366)
C24H29N5O3

>  <MolWeight> (366)
435.51876

>  <Cat> (366)
S8772

>  <Name> (366)
LY 3200882

>  <Synonyms> (366)
N/A

>  <Target> (366)
TGF-beta/Smad

>  <Form> (366)
Free Base

>  <CAS> (366)
1898283-02-7

>  <URL> (366)
http://www.selleckchem.com/products/ly3200882.html

$$$$

csChFnd80/04092414142D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    2.4249    0.0000    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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    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
  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  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 10 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
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 12 22  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (367)
4748

>  <Formula> (367)
C17H13ClN2O3

>  <MolWeight> (367)
328.74972

>  <Cat> (367)
S8813

>  <Name> (367)
LIT-927

>  <Synonyms> (367)
N/A

>  <Target> (367)
CXCR

>  <Form> (367)
Free Base

>  <CAS> (367)
2172879-52-4

>  <URL> (367)
http://www.selleckchem.com/products/lit-927.html

$$$$

csChFnd80/04092414142D

 39 43  0  0  0  0  0  0  0  0999 V2000
    7.3036    6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0761    4.1095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2811    4.8149    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6420    4.1097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4316    2.0008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5086    6.9094    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7159    6.1991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6466    2.7037    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8545    4.8027    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0669    6.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0805    2.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    1.9992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4363    4.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    2.6977    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9435    5.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5236    8.3107    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2131    4.0878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5080    4.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8620    6.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7309    4.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9390    6.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1644    6.2163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7287    9.0159    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9420    8.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4732    0.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8545    0.5933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3882    3.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9444    4.1094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3822    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3103    9.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7436   10.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5388    5.5121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8839    3.4034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6742    1.3068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  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
  8  4  1  0  0  0  0
  9 19  1  0  0  0  0
 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14 17  1  0  0  0  0
  7 15  1  1  0  0  0
 16  6  1  0  0  0  0
 17 13  1  0  0  0  0
 18  3  1  0  0  0  0
 19 10  1  0  0  0  0
 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
 24 23  1  0  0  0  0
 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
 24 21  1  0  0  0  0
 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
  9 38  1  6  0  0  0
  3  1  1  0  0  0  0
  8 39  1  6  0  0  0
M  END
>  <Mol_ID> (368)
4788

>  <Formula> (368)
C30H48O6

>  <MolWeight> (368)
504.69852

>  <Cat> (368)
S9502

>  <Name> (368)
Madecassic acid

>  <Synonyms> (368)
Brahmic acid

>  <Target> (368)
COX,Immunology & Inflammation related,Interleukins,NF-¦ÊB,NOS,TNF-alpha

>  <Form> (368)
Free Base

>  <CAS> (368)
18449-41-7

>  <URL> (368)
http://www.selleckchem.com/products/madecassic-acid.html

$$$$

csChFnd80/04092414142D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.5657    2.4641    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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> (369)
4798

>  <Formula> (369)
C15H22O2

>  <MolWeight> (369)
234.33398

>  <Cat> (369)
S9554

>  <Name> (369)
Bakkenolide A

>  <Synonyms> (369)
Fukinanolid

>  <Target> (369)
Others

>  <Form> (369)
Free Base

>  <CAS> (369)
19906-72-0

>  <URL> (369)
http://www.selleckchem.com/products/bakkenolide-a.html

$$$$

csChFnd80/04092414142D

 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> (370)
4808

>  <Formula> (370)
C10H8O5

>  <MolWeight> (370)
208.16752

>  <Cat> (370)
S9503

>  <Name> (370)
Fraxetin

>  <Synonyms> (370)
7,8-dihydroxy-6-methoxy coumarin

>  <Target> (370)
Heme Oxygenase

>  <Form> (370)
free base

>  <CAS> (370)
574-84-5

>  <URL> (370)
https://www.selleckchem.com/products/fraxetin.html

$$$$

csChFnd80/04092414142D

  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> (371)
4988

>  <Formula> (371)
CNNaS

>  <MolWeight> (371)
81.07217

>  <Cat> (371)
S6281

>  <Name> (371)
Sodium Thiocyanate

>  <Synonyms> (371)
Sodium rhodanide, Sodium sulfocyanate, Sodium rhodanate

>  <Target> (371)
Interleukins,ROS

>  <Form> (371)
free base

>  <CAS> (371)
540-72-7

>  <URL> (371)
http://www.selleck.cn/products/sodium-thiocyanate.html

$$$$

csChFnd80/04092414142D

 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> (372)
5037

>  <Formula> (372)
C25H23FN8O2S2

>  <MolWeight> (372)
550.6309232

>  <Cat> (372)
S7564

>  <Name> (372)
SAR125844

>  <Synonyms> (372)
N/A

>  <Target> (372)
c-Met

>  <Form> (372)
free base

>  <CAS> (372)
1116743-46-4

>  <URL> (372)
http://www.selleck.cn/products/sar125844.html

$$$$

csChFnd80/04092414142D

 35 38  0  0  0  0  0  0  0  0999 V2000
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    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
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   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
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  1  2  2  0  0  0  0
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 10  5  1  0  0  0  0
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  6 16  1  0  0  0  0
 10 17  1  0  0  0  0
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M  END
>  <Mol_ID> (373)
5044

>  <Formula> (373)
C24H26FN7O3

>  <MolWeight> (373)
479.5067432

>  <Cat> (373)
S8780

>  <Name> (373)
AZD3229

>  <Synonyms> (373)
N/A

>  <Target> (373)
c-Kit,PDGFR

>  <Form> (373)
free base

>  <CAS> (373)
2248003-60-1

>  <URL> (373)
http://www.selleck.cn/products/azd3229.html

$$$$

csChFnd80/04092414142D

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    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (374)
5098

>  <Formula> (374)
C26H31Cl2N7O3

>  <MolWeight> (374)
560.47544

>  <Cat> (374)
S2183

>  <Name> (374)
Infigratinib (BGJ398)

>  <Synonyms> (374)
NVP-BGJ398

>  <Target> (374)
FGFR

>  <Form> (374)
Free Base

>  <CAS> (374)
872511-34-7

>  <URL> (374)
http://www.selleck.cn/products/bgj398-nvp-bgj398.html

$$$$

csChFnd80/04092414142D

 39 43  0  0  0  0  0  0  0  0999 V2000
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   10.9601    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7516    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  2  0  0  0  0
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M  END
>  <Mol_ID> (375)
5100

>  <Formula> (375)
C30H35N7O2

>  <MolWeight> (375)
525.6446

>  <Cat> (375)
S8817

>  <Name> (375)
Almonertinib (HS-10296)

>  <Synonyms> (375)
Aumolertinib, Ameile

>  <Target> (375)
EGFR

>  <Form> (375)
Free Base

>  <CAS> (375)
1899921-05-1

>  <URL> (375)
http://www.selleck.cn/products/hs-10296.html

$$$$

csChFnd80/04092414142D

 33 35  0  0  0  0  0  0  0  0999 V2000
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   15.6019    3.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6708    5.8945    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.5192    6.6040    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.2288    4.7556    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  2  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
  4 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 11  1  0  0  0  0
 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
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M  END
>  <Mol_ID> (376)
5101

>  <Formula> (376)
C22H21F4N3O4

>  <MolWeight> (376)
467.4134528

>  <Cat> (376)
S8821

>  <Name> (376)
GSK3179106

>  <Synonyms> (376)
N/A

>  <Target> (376)
c-RET

>  <Form> (376)
Free Base

>  <CAS> (376)
1627856-64-7

>  <URL> (376)
http://www.selleck.cn/products/gsk3179106.html

$$$$

csChFnd80/04092414142D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (377)
5135

>  <Formula> (377)
C14H12O5

>  <MolWeight> (377)
260.24208

>  <Cat> (377)
S5887

>  <Name> (377)
Khellin

>  <Synonyms> (377)
Amicardine, Corafurone, Methafrone

>  <Target> (377)
Anti-infection

>  <Form> (377)
Free Base

>  <CAS> (377)
82-02-0

>  <URL> (377)
http://www.selleck.cn/products/khellin.html

$$$$

csChFnd80/04092414142D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  5  2  1  0  0  0  0
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  3  4  2  0  0  0  0
  6  3  1  0  0  0  0
 12  4  1  0  0  0  0
  5  6  2  0  0  0  0
  9  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
  8  9  1  0  0  0  0
 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 23 10  2  0  0  0  0
 11 25  1  0  0  0  0
 11 24  1  0  0  0  0
 18 12  1  0  0  0  0
 16 13  1  0  0  0  0
 14 17  1  0  0  0  0
 28 14  2  0  0  0  0
 15 16  2  0  0  0  0
 19 15  1  0  0  0  0
 26 16  1  0  0  0  0
 17 18  1  0  0  0  0
 29 19  1  0  0  0  0
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 24 20  1  0  0  0  0
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 31 28  1  0  0  0  0
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M  END
>  <Mol_ID> (378)
5157

>  <Formula> (378)
C23H26N6O2

>  <MolWeight> (378)
418.49154

>  <Cat> (378)
S6414

>  <Name> (378)
Apilimod (STA-5326)

>  <Synonyms> (378)
STA-5326

>  <Target> (378)
Interleukins,PIKfyve

>  <Form> (378)
Free Base

>  <CAS> (378)
541550-19-0

>  <URL> (378)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/04092414142D

 40 44  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
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M  END
>  <Mol_ID> (379)
5219

>  <Formula> (379)
C29H39ClN7O2P

>  <MolWeight> (379)
584.092421

>  <Cat> (379)
S8229

>  <Name> (379)
Brigatinib (AP26113)

>  <Synonyms> (379)
N/A

>  <Target> (379)
ALK,EGFR,FLT3,IGF-1R,ROS1

>  <Form> (379)
Free Base

>  <CAS> (379)
1197953-54-0

>  <URL> (379)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

csChFnd80/04092414142D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (380)
5227

>  <Formula> (380)
C32H31N3O5S

>  <MolWeight> (380)
569.67064

>  <Cat> (380)
S8788

>  <Name> (380)
CH7057288

>  <Synonyms> (380)
N/A

>  <Target> (380)
Trk receptor

>  <Form> (380)
Free Base

>  <CAS> (380)
2095616-82-1

>  <URL> (380)
http://www.selleck.cn/products/ch7057288.html

$$$$

csChFnd80/04092414142D

 37 41  0  0  0  0  0  0  0  0999 V2000
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   20.5062    3.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2276    4.2893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (381)
6474

>  <Formula> (381)
C26H21F3N4O4

>  <MolWeight> (381)
510.4645496

>  <Cat> (381)
S6412

>  <Name> (381)
Altiratinib

>  <Synonyms> (381)
DCC-2701

>  <Target> (381)
c-Met,Tie-2,Trk receptor,VEGFR

>  <Form> (381)
free base

>  <CAS> (381)
1345847-93-9

>  <URL> (381)
http://www.selleck.cn/products/altiratinib.html

$$$$

csChFnd80/04092414142D

 37 40  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0  0  0  0
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M  END
>  <Mol_ID> (382)
6489

>  <Formula> (382)
C25H25Cl2FN6O3

>  <MolWeight> (382)
547.4088032

>  <Cat> (382)
S6505

>  <Name> (382)
X-376

>  <Synonyms> (382)
N/A

>  <Target> (382)
ALK

>  <Form> (382)
free base

>  <CAS> (382)
1365267-27-1

>  <URL> (382)
http://www.selleck.cn/products/x-376.html

$$$$

csChFnd80/04092414142D

 16 16  0  0  0  0  0  0  0  0999 V2000
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  1  8  2  0  0  0  0
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M  END
>  <Mol_ID> (383)
6495

>  <Formula> (383)
C13H19NO2

>  <MolWeight> (383)
221.29546

>  <Cat> (383)
S6511

>  <Name> (383)
RIPA-56

>  <Synonyms> (383)
N/A

>  <Target> (383)
RIP kinase

>  <Form> (383)
free base

>  <CAS> (383)
1956370-21-0

>  <URL> (383)
http://www.selleck.cn/products/ripa-56.html

$$$$

csChFnd80/04092414142D

 38 43  0  0  0  0  0  0  0  0999 V2000
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1952236-05-3

>  <URL> (386)
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 31 10  1  0  0  0  0
 29 32  1  0  0  0  0
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M  END
>  <Mol_ID> (389)
6550

>  <Formula> (389)
C21H17N9O2S

>  <MolWeight> (389)
459.48378

>  <Cat> (389)
S8676

>  <Name> (389)
Glumetinib (SCC244)

>  <Synonyms> (389)
N/A

>  <Target> (389)
c-Met,RON

>  <Form> (389)
free base

>  <CAS> (389)
1642581-63-2

>  <URL> (389)
http://www.selleck.cn/products/glumetinib.html

$$$$

csChFnd80/04092414142D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (390)
6558

>  <Formula> (390)
C20H12F2N6

>  <MolWeight> (390)
374.3462864

>  <Cat> (390)
S8854

>  <Name> (390)
JNJ-38877618(OMO-1)

>  <Synonyms> (390)
N/A

>  <Target> (390)
c-Met

>  <Form> (390)
free base

>  <CAS> (390)
943540-74-7

>  <URL> (390)
http://www.selleck.cn/products/jnj-38877618.html

$$$$

csChFnd80/04092414142D

 40 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (391)
6567

>  <Formula> (391)
C26H29Cl4FN6O3

>  <MolWeight> (391)
634.3572632

>  <Cat> (391)
S2934

>  <Name> (391)
Ensartinib (X-396) dihydrochloride

>  <Synonyms> (391)
N/A

>  <Target> (391)
ALK

>  <Form> (391)
Dihydrochloride

>  <CAS> (391)
2137030-98-7

>  <URL> (391)
http://www.selleck.cn/products/ensartinib-dihydrochloride.html

$$$$

csChFnd80/04092414142D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 27  1  1  0  0  0  0
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>  <Mol_ID> (392)
6573

>  <Formula> (392)
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N/A

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FGFR,PDGFR,VEGFR

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Free Base

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1125780-41-7

>  <URL> (392)
http://www.selleck.cn/products/sklb610.html

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6574

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C17H16BrN3O2

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374.23184

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S6530

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EBE-A22

>  <Synonyms> (393)
N/A

>  <Target> (393)
EGFR

>  <Form> (393)
Free Base

>  <CAS> (393)
229476-53-3

>  <URL> (393)
http://www.selleck.cn/products/ebe-a22.html

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6577

>  <Formula> (394)
C18H19F2N5O4

>  <MolWeight> (394)
407.3713664

>  <Cat> (394)
S6539

>  <Name> (394)
ASP5878

>  <Synonyms> (394)
N/A

>  <Target> (394)
FGFR

>  <Form> (394)
Free Base

>  <CAS> (394)
1453208-66-6

>  <URL> (394)
http://www.selleck.cn/products/asp5878.html

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csChFnd80/04092414142D

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6579

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C16H14BrN3O2

>  <MolWeight> (395)
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>  <Cat> (395)
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PD153035

>  <Synonyms> (395)
N/A

>  <Target> (395)
EGFR

>  <Form> (395)
Free Base

>  <CAS> (395)
153436-54-5

>  <URL> (395)
http://www.selleck.cn/products/pd153035.html

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>  <Formula> (396)
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>  <Cat> (396)
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RCGD423

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N/A

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Interleukins

>  <Form> (396)
Free Base

>  <CAS> (396)
108237-91-8

>  <URL> (396)
http://www.selleck.cn/products/rcgd423.html

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csChFnd80/04092414142D

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CXCR

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897657-95-3

>  <URL> (397)
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N/A

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CXCR,Interleukins

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Free Base

>  <CAS> (398)
954126-98-8

>  <URL> (398)
http://www.selleck.cn/products/danirixin.html

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>  <Mol_ID> (399)
6607

>  <Formula> (399)
C24H23N7O4

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S6625

>  <Name> (399)
Temsavir (BMS-626529)

>  <Synonyms> (399)
N/A

>  <Target> (399)
HIV Protease

>  <Form> (399)
Free Base

>  <CAS> (399)
701213-36-7

>  <URL> (399)
http://www.selleck.cn/products/temsavir-bms-626529.html

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>  <Mol_ID> (400)
6617

>  <Formula> (400)
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>  <Synonyms> (400)
N/A

>  <Target> (400)
TNF-alpha

>  <Form> (400)
Free Base

>  <CAS> (400)
303997-35-5

>  <URL> (400)
http://www.selleck.cn/products/r-7050.html

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>  <Formula> (401)
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AZD5069

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N/A

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CXCR

>  <Form> (401)
Free Base

>  <CAS> (401)
878385-84-3

>  <URL> (401)
http://www.selleck.cn/products/azd-5069.html

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M  END
>  <Mol_ID> (402)
6626

>  <Formula> (402)
C27H29NO3

>  <MolWeight> (402)
415.52406

>  <Cat> (402)
S6713

>  <Name> (402)
ITD-1

>  <Synonyms> (402)
N/A

>  <Target> (402)
TGF-beta/Smad

>  <Form> (402)
Free Base

>  <CAS> (402)
1099644-42-4

>  <URL> (402)
http://www.selleck.cn/products/itd-1.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (403)
6637

>  <Formula> (403)
C21H23ClFNO2

>  <MolWeight> (403)
375.8642232

>  <Cat> (403)
S6727

>  <Name> (403)
AX-024 HCl

>  <Synonyms> (403)
N/A

>  <Target> (403)
CD markers,IFN,Interleukins,TNF-alpha

>  <Form> (403)
Hydrochloride

>  <CAS> (403)
1704801-24-0

>  <URL> (403)
http://www.selleck.cn/products/ax-024-hcl.html

$$$$

csChFnd80/04092414142D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
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 18 22  1  0  0  0  0
 12 17  1  0  0  0  0
  4 10  1  0  0  0  0
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  9 28  1  0  0  0  0
  3 29  1  0  0  0  0
M  END
>  <Mol_ID> (404)
6664

>  <Formula> (404)
C21H23N3O5

>  <MolWeight> (404)
397.42442

>  <Cat> (404)
S8506

>  <Name> (404)
Navarixin (SCH-527123)

>  <Synonyms> (404)
MK-7123, PS-291822

>  <Target> (404)
CXCR

>  <Form> (404)
Free Base

>  <CAS> (404)
473727-83-2

>  <URL> (404)
http://www.selleck.cn/products/sch-527123.html

$$$$

csChFnd80/04092414142D

 30 34  0  0  0  0  0  0  0  0999 V2000
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  2  9  1  0  0  0  0
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 10  3  1  6  0  0  0
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 11 14  1  0  0  0  0
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 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
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M  END
>  <Mol_ID> (405)
6667

>  <Formula> (405)
C23H20N6O

>  <MolWeight> (405)
396.4445

>  <Cat> (405)
S8814

>  <Name> (405)
zipalertinib

>  <Synonyms> (405)
CLN-081, TPC-064,TAS6417

>  <Target> (405)
EGFR

>  <Form> (405)
Free Base

>  <CAS> (405)
1661854-97-2

>  <URL> (405)
http://www.selleck.cn/products/tas6417.html

$$$$

csChFnd80/04092414142D

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N/A

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1448169-71-8

>  <URL> (406)
http://www.selleck.cn/products/tas-120.html

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C29H30F3N5O2

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>  <Synonyms> (407)
N/A

>  <Target> (407)
MAP4K,TAK1

>  <Form> (407)
Free Base

>  <CAS> (407)
1315355-93-1

>  <URL> (407)
http://www.selleck.cn/products/ng25.html

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csChFnd80/04092414142D

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>  <Mol_ID> (408)
6679

>  <Formula> (408)
C21H19F2N5O

>  <MolWeight> (408)
395.4052664

>  <Cat> (408)
S8874

>  <Name> (408)
PLX5622

>  <Synonyms> (408)
N/A

>  <Target> (408)
CSF-1R

>  <Form> (408)
Free Base

>  <CAS> (408)
1303420-67-8

>  <URL> (408)
http://www.selleck.cn/products/plx5622.html

$$$$

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>  <Mol_ID> (409)
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>  <Formula> (409)
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>  <MolWeight> (409)
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>  <Cat> (409)
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>  <Name> (409)
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>  <Synonyms> (409)
N/A

>  <Target> (409)
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>  <Form> (409)
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>  <CAS> (409)
334951-90-5

>  <URL> (409)
http://www.selleck.cn/products/bibf-0775.html

$$$$

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 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (410)
6702

>  <Formula> (410)
C18H18N2O3

>  <MolWeight> (410)
310.34712

>  <Cat> (410)
S6514

>  <Name> (410)
SU5408

>  <Synonyms> (410)
VEGFR2 Kinase Inhibitor I

>  <Target> (410)
VEGFR

>  <Form> (410)
Free Base

>  <CAS> (410)
15966-93-5

>  <URL> (410)
http://www.selleck.cn/products/su5408.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (411)
6710

>  <Formula> (411)
C20H31N3O

>  <MolWeight> (411)
329.47964

>  <Cat> (411)
S6654

>  <Name> (411)
SRI-011381

>  <Synonyms> (411)
N/A

>  <Target> (411)
TGF-beta/Smad

>  <Form> (411)
Free Base

>  <CAS> (411)
1629138-41-5

>  <URL> (411)
http://www.selleck.cn/products/sri-011381.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (412)
6716

>  <Formula> (412)
C26H30F3N7O2

>  <MolWeight> (412)
529.5573096

>  <Cat> (412)
S6662

>  <Name> (412)
AST-487 (NVP-AST487)

>  <Synonyms> (412)
N/A

>  <Target> (412)
Bcr-Abl,c-Kit,c-RET,FLT3

>  <Form> (412)
Free Base

>  <CAS> (412)
630124-46-8

>  <URL> (412)
http://www.selleck.cn/products/ast-487.html

$$$$

csChFnd80/04092414142D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (413)
6735

>  <Formula> (413)
C26H21F2N5O2S

>  <MolWeight> (413)
505.5390464

>  <Cat> (413)
S8882

>  <Name> (413)
ODM-203

>  <Synonyms> (413)
N/A

>  <Target> (413)
FGFR,VEGFR

>  <Form> (413)
Free Base

>  <CAS> (413)
1430723-35-5

>  <URL> (413)
http://www.selleck.cn/products/odm-203.html

$$$$

csChFnd80/04092414142D

 39 43  0  0  0  0  0  0  0  0999 V2000
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 31 32  1  0  0  0  0
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M  END
>  <Mol_ID> (414)
6754

>  <Formula> (414)
C29H28F3N5O2

>  <MolWeight> (414)
535.5601296

>  <Cat> (414)
S2213

>  <Name> (414)
AMG-47a

>  <Synonyms> (414)
N/A

>  <Target> (414)
Src

>  <Form> (414)
Free Base

>  <CAS> (414)
882663-88-9

>  <URL> (414)
https://www.selleckchem.com/products/amg-47a.html

$$$$

csChFnd80/04092414142D

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6756

>  <Formula> (415)
C18H16N2O3

>  <MolWeight> (415)
308.33124

>  <Cat> (415)
S2307

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>  <Synonyms> (415)
FCF 89, Linomide, LS 2616

>  <Target> (415)
Immunology & Inflammation related

>  <Form> (415)
Free Base

>  <CAS> (415)
84088-42-6

>  <URL> (415)
http://www.selleck.cn/products/roquinimex.html

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csChFnd80/04092414142D

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>  <Mol_ID> (416)
6766

>  <Formula> (416)
C13H18N2O2

>  <MolWeight> (416)
234.29422

>  <Cat> (416)
S2465

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CPI-1189

>  <Synonyms> (416)
REN 1654, REN 1189

>  <Target> (416)
TNF-alpha

>  <Form> (416)
Free Base

>  <CAS> (416)
183619-38-7

>  <URL> (416)
http://www.selleck.cn/products/cpi-1189.html

$$$$

csChFnd80/04092414142D

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>  <Mol_ID> (417)
6788

>  <Formula> (417)
C32H26N4O6

>  <MolWeight> (417)
562.57204

>  <Cat> (417)
S8933

>  <Name> (417)
ONO-7475

>  <Synonyms> (417)
N/A

>  <Target> (417)
Axl,Mertk

>  <Form> (417)
Free Base

>  <CAS> (417)
1646839-59-9

>  <URL> (417)
http://www.selleckchem.com/products/ono-7475.html

$$$$

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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
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  8  9  1  0  0  0  0
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  8 11  1  0  0  0  0
  4  7  1  0  0  0  0
 14 15  1  0  0  0  0
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 14 19  2  0  0  0  0
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 23 24  1  0  0  0  0
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 27 28  1  0  0  0  0
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  1 30  1  0  0  0  0
M  END
>  <Mol_ID> (418)
6791

>  <Formula> (418)
C19H14BF4N3O4S

>  <MolWeight> (418)
467.2017728

>  <Cat> (418)
S8947

>  <Name> (418)
SX-682

>  <Synonyms> (418)
N/A

>  <Target> (418)
CXCR

>  <Form> (418)
Free Base

>  <CAS> (418)
1648843-04-2

>  <URL> (418)
http://www.selleckchem.com/products/sx-682.html

$$$$

csChFnd80/04092414142D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  2  7  1  0  0  0  0
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  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 17 20  1  0  0  0  0
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M  END
>  <Mol_ID> (419)
6795

>  <Formula> (419)
C15H14FN3O2

>  <MolWeight> (419)
287.2889632

>  <Cat> (419)
S8962

>  <Name> (419)
BRD3308

>  <Synonyms> (419)
N/A

>  <Target> (419)
HDAC

>  <Form> (419)
Free Base

>  <CAS> (419)
1550053-02-5

>  <URL> (419)
http://www.selleckchem.com/products/brd3308.html

$$$$

csChFnd80/04092414142D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  2 21  1  0  0  0  0
M  END
>  <Mol_ID> (420)
6803

>  <Formula> (420)
C14H22Cl2N2O2S

>  <MolWeight> (420)
353.30768

>  <Cat> (420)
S2650

>  <Name> (420)
RN-1734

>  <Synonyms> (420)
TRPV4 Antagonist I

>  <Target> (420)
TRP Channel

>  <Form> (420)
Free Base

>  <CAS> (420)
946387-07-1

>  <URL> (420)
http://www.selleckchem.com/products/rn-1734.html

$$$$

csChFnd80/04092414142D

 38 40  0  0  0  0  0  0  0  0999 V2000
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   12.0264    0.7078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6065    2.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4498    4.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  1  0  0  0  0
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 35 37  2  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (421)
6811

>  <Formula> (421)
C28H27ClN3NaO5

>  <MolWeight> (421)
543.97385

>  <Cat> (421)
S6776

>  <Name> (421)
TM5275 Sodium

>  <Synonyms> (421)
TM 5275 sodium salt

>  <Target> (421)
PAI-1

>  <Form> (421)
Sodium

>  <CAS> (421)
1103926-82-4

>  <URL> (421)
http://www.selleckchem.com/products/tm5275-sodium.html

$$$$

csChFnd80/04092414142D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (422)
6813

>  <Formula> (422)
C21H17ClN2O6

>  <MolWeight> (422)
428.82248

>  <Cat> (422)
S6778

>  <Name> (422)
TM5441

>  <Synonyms> (422)
N/A

>  <Target> (422)
PAI-1

>  <Form> (422)
Free Base

>  <CAS> (422)
1190221-43-2

>  <URL> (422)
http://www.selleckchem.com/products/tm5441.html

$$$$

csChFnd80/04092414142D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    1.2124    2.8001    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
    5.5545    4.1462    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    3.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (423)
6832

>  <Formula> (423)
C15H10FNO

>  <MolWeight> (423)
239.2444032

>  <Cat> (423)
S6808

>  <Name> (423)
SU5205

>  <Synonyms> (423)
N/A

>  <Target> (423)
VEGFR

>  <Form> (423)
Free Base

>  <CAS> (423)
3476-86-6

>  <URL> (423)
http://www.selleckchem.com/products/su-5205.html

$$$$

csChFnd80/04092414142D

 19 21  0  0  0  0  0  0  0  0999 V2000
    5.9668    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    3.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    4.1462    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9895    5.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    3.1042    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
    7.8595    3.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2944    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
  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
  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 11  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 14  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  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
M  END
>  <Mol_ID> (424)
6833

>  <Formula> (424)
C16H13NO2

>  <MolWeight> (424)
251.27992

>  <Cat> (424)
S6809

>  <Name> (424)
SU5214

>  <Synonyms> (424)
N/A

>  <Target> (424)
EGFR,VEGFR

>  <Form> (424)
Free Base

>  <CAS> (424)
186611-04-1

>  <URL> (424)
http://www.selleckchem.com/products/su-5214.html

$$$$

csChFnd80/04092414142D

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.3602    5.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3602    3.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5726    3.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7851    3.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7851    5.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5726    5.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1165    3.3718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9394    4.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1165    5.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5492    2.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5492    6.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9186    7.2596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3512    8.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    9.6315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0450    9.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    8.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430    7.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    8.7582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1615    5.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5310    5.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9636    7.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0268    8.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8576    6.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4260    4.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3307    7.3830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7619    8.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8282    9.7470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1267    9.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5579   10.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4662    4.7223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0350    3.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8310    5.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9687    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5382    1.0335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4687    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1779    0.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 13 23  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
 28 29  2  0  0  0  0
 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
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <Mol_ID> (425)
6834

>  <Formula> (425)
C32H39N7O4

>  <MolWeight> (425)
585.69656

>  <Cat> (425)
S6813

>  <Name> (425)
Mobocertinib (TAK788)

>  <Synonyms> (425)
AP32788

>  <Target> (425)
EGFR,HER2

>  <Form> (425)
Free Base

>  <CAS> (425)
1847461-43-1

>  <URL> (425)
http://www.selleckchem.com/products/tak788.html

$$$$

csChFnd80/04092414142D

 14 16  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
 13 14  1  0  0  0  0
  1 14  2  0  0  0  0
  2 11  2  0  0  0  0
M  END
>  <Mol_ID> (426)
6842

>  <Formula> (426)
C12H8N2

>  <MolWeight> (426)
180.20532

>  <Cat> (426)
S6830

>  <Name> (426)
o-Phenanthroline

>  <Synonyms> (426)
1,10-Phenanthroline, phen

>  <Target> (426)
MMP

>  <Form> (426)
Free Base

>  <CAS> (426)
66-71-7

>  <URL> (426)
http://www.selleckchem.com/products/o-phenanthroline.html

$$$$

csChFnd80/04092414142D

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.7935    0.8293    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7972    8.3744    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5086    3.9468    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2220    5.5744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8549    4.1407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0712    7.6330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7972    5.5744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6425    6.2407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5846    6.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4812    3.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5846    7.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0096    6.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0096    7.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6511    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1723    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0299    2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4300    5.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0722    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9297    1.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953    7.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 21  1  0  0  0  0
  4 12  2  0  0  0  0
  5 19  2  0  0  0  0
  6 26  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  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> (427)
6850

>  <Formula> (427)
C21H16ClFN2O3S

>  <MolWeight> (427)
430.8797432

>  <Cat> (427)
S8954

>  <Name> (427)
STING agonist-1 (G10)

>  <Synonyms> (427)
N/A

>  <Target> (427)
IFN,STING

>  <Form> (427)
Free Base

>  <CAS> (427)
702662-50-8

>  <URL> (427)
http://www.selleckchem.com/products/sting-agonist-1-g10.html

$$$$

csChFnd80/04092414142D

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3002    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 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> (428)
6858

>  <Formula> (428)
C18H18N2O5

>  <MolWeight> (428)
342.34592

>  <Cat> (428)
S0129

>  <Name> (428)
SB-297006

>  <Synonyms> (428)
N/A

>  <Target> (428)
CCR

>  <Form> (428)
Free Base

>  <CAS> (428)
58816-69-6

>  <URL> (428)
http://www.selleckchem.com/products/sb297006.html

$$$$

csChFnd80/04092414142D

 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
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   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
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  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
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 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  1  0  0  0  0
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 22 23  2  0  0  0  0
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M  END
>  <Mol_ID> (429)
6872

>  <Formula> (429)
C21H18F3N5O

>  <MolWeight> (429)
413.3957296

>  <Cat> (429)
S0360

>  <Name> (429)
EGFR Inhibitor

>  <Synonyms> (429)
EGFR-IN-12

>  <Target> (429)
EGFR,Microtubule Associated

>  <Form> (429)
Free Base

>  <CAS> (429)
879127-07-8

>  <URL> (429)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

csChFnd80/04092414142D

 34 37  0  0  0  0  0  0  0  0999 V2000
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    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
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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
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    7.2748   14.0003    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  2  0  0  0  0
  1  5  1  0  0  0  0
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  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
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 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
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 16 22  1  0  0  0  0
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 18 25  2  0  0  0  0
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 20 21  2  0  0  0  0
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 22 28  2  0  0  0  0
 25 26  1  0  0  0  0
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 32 33  1  0  0  0  0
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M  END
>  <Mol_ID> (430)
6881

>  <Formula> (430)
C24H28N6O3S

>  <MolWeight> (430)
480.58252

>  <Cat> (430)
S0487

>  <Name> (430)
Sulfatinib

>  <Synonyms> (430)
HMPL-012, Sufatinib, Surfatinib, Surufatinib

>  <Target> (430)
CSF-1R,FGFR,VEGFR

>  <Form> (430)
Free Base

>  <CAS> (430)
1308672-74-3

>  <URL> (430)
http://www.selleckchem.com/products/sulfatinib.html

$$$$

csChFnd80/04092414142D

 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
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  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> (431)
6883

>  <Formula> (431)
C14H10BrNOS

>  <MolWeight> (431)
320.2043

>  <Cat> (431)
S0523

>  <Name> (431)
SB 4

>  <Synonyms> (431)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (431)
TGF-beta/Smad

>  <Form> (431)
Free Base

>  <CAS> (431)
100874-08-6

>  <URL> (431)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/04092414142D

 32 35  0  0  0  0  0  0  0  0999 V2000
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   11.9767    7.0594    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6880    8.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3689    6.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (432)
6909

>  <Formula> (432)
C23H26FN5O3

>  <MolWeight> (432)
439.4826432

>  <Cat> (432)
S6843

>  <Name> (432)
Vorolanib

>  <Synonyms> (432)
X-82,CM082

>  <Target> (432)
PDGFR,VEGFR

>  <Form> (432)
Free Base

>  <CAS> (432)
1013920-15-4

>  <URL> (432)
http://www.selleckchem.com/products/vorolanib.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (433)
6913

>  <Formula> (433)
C24H24N4O5S

>  <MolWeight> (433)
480.53616

>  <Cat> (433)
S7688

>  <Name> (433)
Ki20227

>  <Synonyms> (433)
KI-20227

>  <Target> (433)
c-Kit,CSF-1R,PDGFR,VEGFR

>  <Form> (433)
Free Base

>  <CAS> (433)
623142-96-1

>  <URL> (433)
http://www.selleckchem.com/products/ki20227.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (434)
6914

>  <Formula> (434)
C25H19N5S

>  <MolWeight> (434)
421.51686

>  <Cat> (434)
S7692

>  <Name> (434)
A-83-01

>  <Synonyms> (434)
N/A

>  <Target> (434)
TGF-beta/Smad

>  <Form> (434)
Free Base

>  <CAS> (434)
909910-43-6

>  <URL> (434)
http://www.selleckchem.com/products/a-83-01.html

$$$$

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M  END
>  <Mol_ID> (435)
6932

>  <Formula> (435)
C45H52ClN9O8S

>  <MolWeight> (435)
914.46788

>  <Cat> (435)
S0072

>  <Name> (435)
MS4078

>  <Synonyms> (435)
N/A

>  <Target> (435)
ALK,PROTAC

>  <Form> (435)
free base

>  <CAS> (435)
2229036-62-6

>  <URL> (435)
http://www.selleckchem.com/products/ms4078.html

$$$$

csChFnd80/04092414142D

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>  <Mol_ID> (436)
6935

>  <Formula> (436)
C25H40N8O2

>  <MolWeight> (436)
484.6375

>  <Cat> (436)
S0085

>  <Name> (436)
BMS-813160

>  <Synonyms> (436)
N/A

>  <Target> (436)
CCR

>  <Form> (436)
free base

>  <CAS> (436)
1286279-29-5

>  <URL> (436)
http://www.selleckchem.com/products/bms813160.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (437)
6936

>  <Formula> (437)
C24H27F2N5O4

>  <MolWeight> (437)
487.4990864

>  <Cat> (437)
S0088

>  <Name> (437)
Pemigatinib (INCB054828)

>  <Synonyms> (437)
Pemazyre

>  <Target> (437)
FGFR

>  <Form> (437)
free base

>  <CAS> (437)
1513857-77-6

>  <URL> (437)
http://www.selleckchem.com/products/pemigatinib-incb054828.html

$$$$

csChFnd80/04092414142D

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>  <Mol_ID> (438)
6937

>  <Formula> (438)
C16H10ClF6NO2

>  <MolWeight> (438)
397.6995192

>  <Cat> (438)
S0094

>  <Name> (438)
SR 0987

>  <Synonyms> (438)
N/A

>  <Target> (438)
Interleukins,PD-1/PD-L1,ROR

>  <Form> (438)
free base

>  <CAS> (438)
303126-97-8

>  <URL> (438)
http://www.selleckchem.com/products/sr0987.html

$$$$

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 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
 16 22  2  0  0  0  0
 17 19  1  0  0  0  0
 17 24  2  0  0  0  0
 18 20  1  0  0  0  0
 19 27  2  0  0  0  0
 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> (439)
6943

>  <Formula> (439)
C25H26ClN3O

>  <MolWeight> (439)
419.94644

>  <Cat> (439)
S0135

>  <Name> (439)
JMS-17-2

>  <Synonyms> (439)
N/A

>  <Target> (439)
GPR

>  <Form> (439)
free base

>  <CAS> (439)
1380392-05-1

>  <URL> (439)
http://www.selleckchem.com/products/jms-17-2.html

$$$$

csChFnd80/04092414142D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    8.2909    2.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4889    3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6556    2.0772    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    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
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <Mol_ID> (440)
6956

>  <Formula> (440)
C15H9Cl2NO

>  <MolWeight> (440)
290.14406

>  <Cat> (440)
S0228

>  <Name> (440)
SU 5201

>  <Synonyms> (440)
NSC 247030

>  <Target> (440)
Interleukins

>  <Form> (440)
free base

>  <CAS> (440)
114727-43-4

>  <URL> (440)
http://www.selleckchem.com/products/nsc-247030.html

$$$$

csChFnd80/04092414142D

 19 21  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
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    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
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    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7604    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8008    3.2128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0132    3.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7221    5.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3298    5.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2877    3.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6322    6.6367    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  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
 12 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 13  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (441)
6959

>  <Formula> (441)
C15H13ClN2O

>  <MolWeight> (441)
272.72952

>  <Cat> (441)
S0278

>  <Name> (441)
SU5614

>  <Synonyms> (441)
Chloro-SU5416, Chloro-Semaxanib

>  <Target> (441)
Apoptosis related,c-Kit,FLT3,VEGFR

>  <Form> (441)
free base

>  <CAS> (441)
1055412-47-9

>  <URL> (441)
http://www.selleckchem.com/products/su5614.html

$$$$

csChFnd80/04092414142D

 25 26  0  0  0  0  0  0  0  0999 V2000
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    9.6992    0.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3365    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    0.0000    0.0000 Cl  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
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    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  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
 15 16  1  0  0  0  0
 15 20  2  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
 18 21  1  0  0  0  0
 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> (442)
6969

>  <Formula> (442)
C15H17ClN6O3

>  <MolWeight> (442)
364.78688

>  <Cat> (442)
S0377

>  <Name> (442)
CS-2660 (JNJ-38158471)

>  <Synonyms> (442)
N/A

>  <Target> (442)
c-Kit,c-RET,VEGFR

>  <Form> (442)
free base

>  <CAS> (442)
951151-97-6

>  <URL> (442)
http://www.selleckchem.com/products/jnj-38158471.html

$$$$

csChFnd80/04092414142D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.7024    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8098    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5122    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8098    4.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5931    3.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2346    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2968    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5092    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7217    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9341    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1465    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3590    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (443)
6990

>  <Formula> (443)
C23H40N2O3

>  <MolWeight> (443)
392.5753

>  <Cat> (443)
S0752

>  <Name> (443)
AUDA

>  <Synonyms> (443)
N/A

>  <Target> (443)
Epoxide Hydrolase,Interleukins,MMP,p38 MAPK,TGF-beta/Smad,TNF-alpha

>  <Form> (443)
free base

>  <CAS> (443)
479413-70-2

>  <URL> (443)
http://www.selleckchem.com/products/auda.html

$$$$

csChFnd80/04092414142D

 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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    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> (444)
6992

>  <Formula> (444)
C17H17N3O

>  <MolWeight> (444)
279.33638

>  <Cat> (444)
S0777

>  <Name> (444)
Isuzinaxib (APX-115 free base)

>  <Synonyms> (444)
Ewha-18278 free base

>  <Target> (444)
CCR,Interleukins,NADPH-oxidase,TNF-alpha

>  <Form> (444)
free base

>  <CAS> (444)
1270084-92-8

>  <URL> (444)
http://www.selleckchem.com/products/apx-115-free-base.html

$$$$

csChFnd80/04092414142D

 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
    8.4871    8.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    1.2124    8.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (445)
6993

>  <Formula> (445)
C25H34N6O8S2

>  <MolWeight> (445)
610.70286

>  <Cat> (445)
S0785

>  <Name> (445)
Apilimod (STA-5326) mesylate

>  <Synonyms> (445)
STA-5326 mesylate

>  <Target> (445)
Interleukins,PIKfyve

>  <Form> (445)
mesylate

>  <CAS> (445)
870087-36-8

>  <URL> (445)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/04092414142D

 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
    2.4249    5.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667    6.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3300    4.9788    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  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> (446)
6994

>  <Formula> (446)
C11H15ClN4O4

>  <MolWeight> (446)
302.7142

>  <Cat> (446)
S0787

>  <Name> (446)
3-Deazaadenosine hydrochloride

>  <Synonyms> (446)
3-DZA HCl, c3Ado HCl

>  <Target> (446)
Interleukins,TNF-alpha

>  <Form> (446)
hydrochloride

>  <CAS> (446)
86583-19-9

>  <URL> (446)
http://www.selleckchem.com/products/3-deazaadenosine-hydrochloride.html

$$$$

csChFnd80/04092414142D

 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
    1.2082    2.0523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    4.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0580    6.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    5.9849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    7.3849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8101    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0183    7.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    9.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2266    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    7.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5380    6.3162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3316    6.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6430    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    6.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    8.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9287    6.4160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    8.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    4.8523    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
  4  7  2  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
  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> (447)
7002

>  <Formula> (447)
C30H48O7

>  <MolWeight> (447)
520.69792

>  <Cat> (447)
S0949

>  <Name> (447)
Cucurbitacin IIb

>  <Synonyms> (447)
CuIIb, Dihydrocucurbitacin F, 25-deacetyl hemslecin A

>  <Target> (447)
Apoptosis related,ERK,I¦ÊB/IKK,JNK,NF-¦ÊB,STAT,TNF-alpha

>  <Form> (447)
free base

>  <CAS> (447)
50298-90-3

>  <URL> (447)
http://www.selleckchem.com/products/curcubitacin-iib.html

$$$$

csChFnd80/04092414142D

 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> (448)
7012

>  <Formula> (448)
C10H14O

>  <MolWeight> (448)
150.21756

>  <Cat> (448)
S3205

>  <Name> (448)
Perillaldehyde

>  <Synonyms> (448)
Perilladehyde, Perillal, PAE, PA

>  <Target> (448)
AhR,CCR,Nrf2,ROS

>  <Form> (448)
free base

>  <CAS> (448)
18031-40-8

>  <URL> (448)
http://www.selleckchem.com/products/perillaldehyde.html

$$$$

csChFnd80/04092414142D

 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> (449)
7022

>  <Formula> (449)
C7H14O6

>  <MolWeight> (449)
194.18246

>  <Cat> (449)
S3223

>  <Name> (449)
L-Quebrachitol

>  <Synonyms> (449)
L-QCT

>  <Target> (449)
NF-¦ÊB,RUNX,TGF-beta/Smad,Wnt/beta-catenin

>  <Form> (449)
free base

>  <CAS> (449)
642-38-6

>  <URL> (449)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/04092414142D

 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> (450)
7033

>  <Formula> (450)
C18H20O5

>  <MolWeight> (450)
316.3484

>  <Cat> (450)
S3242

>  <Name> (450)
Loureirin B

>  <Synonyms> (450)
LB, LrB

>  <Target> (450)
Calcium Channel,ERK,JNK,PAI-1,Potassium Channel

>  <Form> (450)
free base

>  <CAS> (450)
119425-90-0

>  <URL> (450)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/04092414142D

 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> (451)
7048

>  <Formula> (451)
C21H26O6

>  <MolWeight> (451)
374.42754

>  <Cat> (451)
S3261

>  <Name> (451)
Myrislignan

>  <Synonyms> (451)
N/A

>  <Target> (451)
Anti-infection,COX,Interleukins,NF-¦ÊB,NOS,TNF-alpha

>  <Form> (451)
free base

>  <CAS> (451)
171485-39-5

>  <URL> (451)
http://www.selleckchem.com/products/myrislignan.html

$$$$

csChFnd80/04092414142D

 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> (452)
7073

>  <Formula> (452)
C17H24O2

>  <MolWeight> (452)
260.37126

>  <Cat> (452)
S3292

>  <Name> (452)
Falcarindiol

>  <Synonyms> (452)
FAD, (3R,8S)-Falcarindiol, FaDOH

>  <Target> (452)
ERK,Interleukins,JNK,NOS,STAT,TNF-alpha

>  <Form> (452)
free base

>  <CAS> (452)
225110-25-8

>  <URL> (452)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/04092414142D

 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> (453)
7074

>  <Formula> (453)
C17H24O11

>  <MolWeight> (453)
404.36586

>  <Cat> (453)
S3293

>  <Name> (453)
Gardenoside

>  <Synonyms> (453)
N/A

>  <Target> (453)
Interleukins,NF-¦ÊB,P2 Receptor,TNF-alpha

>  <Form> (453)
free base

>  <CAS> (453)
24512-62-7

>  <URL> (453)
http://www.selleckchem.com/products/gardenoside.html

$$$$

csChFnd80/04092414142D

 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> (454)
7080

>  <Formula> (454)
C19H18NO4+

>  <MolWeight> (454)
324.35052

>  <Cat> (454)
S3299

>  <Name> (454)
Demethyleneberberine

>  <Synonyms> (454)
DMB

>  <Target> (454)
AMPK,Interleukins,NF-¦ÊB,Peroxidases,TNF-alpha

>  <Form> (454)
free base

>  <CAS> (454)
25459-91-0

>  <URL> (454)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/04092414142D

 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> (455)
7085

>  <Formula> (455)
C19H17NO4

>  <MolWeight> (455)
323.34258

>  <Cat> (455)
S3304

>  <Name> (455)
Stylopine

>  <Synonyms> (455)
(R,S)-Stylopine, Tetrahydrocoptisine

>  <Target> (455)
COX,Interleukins,NOS,PGES,TNF-alpha

>  <Form> (455)
free base

>  <CAS> (455)
4312-32-7

>  <URL> (455)
http://www.selleckchem.com/products/stylopine-trahydocoptisine-.html

$$$$

csChFnd80/04092414142D

 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
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    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
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    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> (456)
7097

>  <Formula> (456)
C27H33ClN2O4

>  <MolWeight> (456)
485.01492

>  <Cat> (456)
S6760

>  <Name> (456)
LM22B-10

>  <Synonyms> (456)
N/A

>  <Target> (456)
Akt,ERK,Trk receptor

>  <Form> (456)
free base

>  <CAS> (456)
342777-54-2

>  <URL> (456)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/04092414142D

 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
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   10.7192    4.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5240    2.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0891    4.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5890    1.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7841    3.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  1 19  1  0  0  0  0
  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
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 23  2  0  0  0  0
 11 27  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 24  2  0  0  0  0
 22 26  2  0  0  0  0
 22 28  1  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
 25 30  2  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (457)
7098

>  <Formula> (457)
C20H15F3N8

>  <MolWeight> (457)
424.3819096

>  <Cat> (457)
S6762

>  <Name> (457)
Bozitinib (PLB-1001)

>  <Synonyms> (457)
CBT-101, APL-101, CBI-3103

>  <Target> (457)
c-Met

>  <Form> (457)
free base

>  <CAS> (457)
1440964-89-5

>  <URL> (457)
http://www.selleckchem.com/products/bozitinib.html

$$$$

csChFnd80/04092414142D

 31 35  0  0  0  0  0  0  0  0999 V2000
   10.7237    3.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4448    2.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5910    1.3130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
   13.0530    2.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    8.2324    4.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0198    5.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.5737    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  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
  6 11  1  0  0  0  0
  5  9  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 15 16  2  0  0  0  0
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 12 17  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 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
 24 25  1  0  0  0  0
 19 27  2  0  0  0  0
 23 28  1  0  0  0  0
 21 29  1  0  0  0  0
 30 31  1  0  0  0  0
 26 30  1  0  0  0  0
 18 27  1  0  0  0  0
 15 18  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
>  <Mol_ID> (458)
7106

>  <Formula> (458)
C24H28N6O

>  <MolWeight> (458)
416.51872

>  <Cat> (458)
S6850

>  <Name> (458)
NE 52-QQ57

>  <Synonyms> (458)
N/A

>  <Target> (458)
cAMP,COX,GPR,Interleukins,NOS,PGES,TNF-alpha

>  <Form> (458)
free base

>  <CAS> (458)
1401728-56-0

>  <URL> (458)
http://www.selleckchem.com/products/ne-52-qq57.html

$$$$

csChFnd80/04092414142D

 46 48  0  0  0  0  0  0  0  0999 V2000
    9.9278    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1352   11.3252    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3278    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  2  0  0  0  0
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M  END
>  <Mol_ID> (459)
7112

>  <Formula> (459)
C29H35F3N8O5S

>  <MolWeight> (459)
664.6990096

>  <Cat> (459)
S6868

>  <Name> (459)
Alflutinib (AST2818) mesylate

>  <Synonyms> (459)
Furmonertinib mesylate

>  <Target> (459)
EGFR,P450 (e.g. CYP17)

>  <Form> (459)
mesylate

>  <CAS> (459)
2130958-55-1

>  <URL> (459)
https://www.selleckchem.com/products/alflutinib-ast2818-mesylate.html

$$$$

csChFnd80/04092414142D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (460)
7113

>  <Formula> (460)
C31H29FN4O5

>  <MolWeight> (460)
556.5841632

>  <Cat> (460)
S6870

>  <Name> (460)
Ningetinib

>  <Synonyms> (460)
CT-053, DE-120, CT053PTSA

>  <Target> (460)
Axl,c-Met,VEGFR

>  <Form> (460)
free base

>  <CAS> (460)
1394820-69-9

>  <URL> (460)
http://www.selleckchem.com/products/ningetinib.html

$$$$

csChFnd80/04092414142D

 50 54  0  0  0  0  0  0  0  0999 V2000
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 47 48  1  0  0  0  0
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 49 50  1  0  0  0  0
M  END
>  <Mol_ID> (461)
7137

>  <Formula> (461)
C41H52N4O4S

>  <MolWeight> (461)
696.94098

>  <Cat> (461)
S8512

>  <Name> (461)
Cenicriviroc (TAK-652)

>  <Synonyms> (461)
CVC, TBR-652

>  <Target> (461)
CCR,HIV

>  <Form> (461)
free base

>  <CAS> (461)
497223-25-3

>  <URL> (461)
http://www.selleckchem.com/products/cenicriviroc.html

$$$$

csChFnd80/04092414142D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.7847    1.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    1.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    4.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    4.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.6856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1388    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0755    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3545    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2082    4.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8388    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5669    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7794    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9918    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9918    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7794    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8415    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6291    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
  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
 11 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  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
 17 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 21  1  0  0  0  0
M  END
>  <Mol_ID> (462)
7155

>  <Formula> (462)
C18H19N5O3

>  <MolWeight> (462)
353.37516

>  <Cat> (462)
S8965

>  <Name> (462)
BO-264

>  <Synonyms> (462)
N/A

>  <Target> (462)
Apoptosis related,FGFR,TACC3

>  <Form> (462)
free base

>  <CAS> (462)
2408648-20-2

>  <URL> (462)
http://www.selleckchem.com/products/bo-264.html

$$$$

csChFnd80/04092414142D

 35 37  0  0  0  0  0  0  0  0999 V2000
    2.4147    3.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4147    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6273    1.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8398    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8398    3.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6273    4.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    4.1884    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0481    1.3930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    1.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2606    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2606    3.4929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4729    1.3930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6855    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8980    1.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1105    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1105    3.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8980    4.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6855    3.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3228    4.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5354    3.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7478    4.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9602    3.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9604    2.0929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7480    1.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5354    2.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1726    4.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3852    3.4929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1726    5.5930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5975    4.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8080    3.4941    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
   20.5974    5.5907    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
   21.8059    4.8907    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    0.0001    2.0897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6966    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  2  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 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 13  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 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
 22 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  1  0  0  0  0
 29 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
  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> (463)
7170

>  <Formula> (463)
C21H13ClD3F3N4O3

>  <MolWeight> (463)
467.843434934

>  <Cat> (463)
S9621

>  <Name> (463)
Donafenib (Sorafenib D3)

>  <Synonyms> (463)
Bay 43-9006 D3, CM-4307

>  <Target> (463)
Raf,VEGFR

>  <Form> (463)
free base

>  <CAS> (463)
1130115-44-4

>  <URL> (463)
http://www.selleckchem.com/products/donafenib-sorafenib-d3.html

$$$$

csChFnd80/04092414142D

 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
    3.8249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.8249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.6746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.4622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    8.6746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (464)
7177

>  <Formula> (464)
C27H27F2N5O3

>  <MolWeight> (464)
507.5317864

>  <Cat> (464)
S9660

>  <Name> (464)
Remibrutinib (LOU064)

>  <Synonyms> (464)
N/A

>  <Target> (464)
BTK,Interleukins

>  <Form> (464)
free base

>  <CAS> (464)
1787294-07-8

>  <URL> (464)
http://www.selleckchem.com/products/remibrutinib-lou064.html

$$$$

csChFnd80/04092414142D

 35 39  0  0  0  0  0  0  0  0999 V2000
    6.0412    7.1494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4661    5.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
    1.2082    5.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2288    3.9899    0.0000 C   0  0  2  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
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  7  8  1  0  0  0  0
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 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
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 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
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 32 33  1  0  0  0  0
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 34 15  1  0  0  0  0
 32 35  1  6  0  0  0
M  END
>  <Mol_ID> (465)
7178

>  <Formula> (465)
C28H40N6O

>  <MolWeight> (465)
476.6568

>  <Cat> (465)
S9662

>  <Name> (465)
UNC2025

>  <Synonyms> (465)
N/A

>  <Target> (465)
Axl,c-Kit,c-Met,FLT3,Mertk,Trk receptor,Tyro3

>  <Form> (465)
free base

>  <CAS> (465)
1429881-91-3

>  <URL> (465)
http://www.selleckchem.com/products/unc2025.html

$$$$

csChFnd80/04092414142D

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142144  2  0  0  0  0
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148150  1  0  0  0  0
149151  2  0  0  0  0
150152  2  0  0  0  0
151152  1  0  0  0  0
M  END
>  <Mol_ID> (466)
7180

>  <Formula> (466)
C97H144FN33O19S2

>  <MolWeight> (466)
2159.5193632

>  <Cat> (466)
S9665

>  <Name> (466)
Motixafortide (BL-8040)

>  <Synonyms> (466)
BKT140, TF 14016, 4-fluorobenzoyl, 4F-benzoyl-TN14003, T140

>  <Target> (466)
Apoptosis related,Bcl-2,CDK,CXCR,ERK,MicroRNA

>  <Form> (466)
free base

>  <CAS> (466)
664334-36-5

>  <URL> (466)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/04092414142D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  1 14  2  0  0  0  0
  2  7  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 16  2  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  2  0  0  0  0
 11 18  2  0  0  0  0
 12 13  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (467)
7210

>  <Formula> (467)
C21H18N2O

>  <MolWeight> (467)
314.38042

>  <Cat> (467)
S0765

>  <Name> (467)
MAZ51

>  <Synonyms> (467)
N/A

>  <Target> (467)
Akt,Apoptosis related,GSK-3,Rho,VEGFR

>  <Form> (467)
Free Base

>  <CAS> (467)
163655-37-6

>  <URL> (467)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/04092414142D

 79 86  0  0  0  0  0  0  0  0999 V2000
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    9.7157    6.3064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9278    5.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1399    6.3064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.3649    5.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3649    8.4129    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (468)
7231

>  <Formula> (468)
C53H90O22

>  <MolWeight> (468)
1079.2685

>  <Cat> (468)
S9208

>  <Name> (468)
Ginsenoside Rb3

>  <Synonyms> (468)
N/A

>  <Target> (468)
COX,NF-¦ÊB,NOS

>  <Form> (468)
Free Base

>  <CAS> (468)
68406-26-8

>  <URL> (468)
https://www.selleckchem.com/products/ginsenoside-rb3.html

$$$$

csChFnd80/04092414142D

 81 88  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (469)
7241

>  <Formula> (469)
C53H90O22

>  <MolWeight> (469)
1079.2685

>  <Cat> (469)
S9266

>  <Name> (469)
Ginsenoside Rc

>  <Synonyms> (469)
N/A

>  <Target> (469)
Immunology & Inflammation related

>  <Form> (469)
Free Base

>  <CAS> (469)
11021-14-0

>  <URL> (469)
https://www.selleckchem.com/products/ginsenoside-rc.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (470)
7255

>  <Formula> (470)
C41H28O27

>  <MolWeight> (470)
952.64482

>  <Cat> (470)
S9396

>  <Name> (470)
Geraniin

>  <Synonyms> (470)
N/A

>  <Target> (470)
TNF-alpha

>  <Form> (470)
Free Base

>  <CAS> (470)
60976-49-0

>  <URL> (470)
https://www.selleckchem.com/products/geraniin.html

$$$$

csChFnd80/04092414142D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.4973    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.6386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.4338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0848    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0928    8.4848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3614    6.3071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414    6.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414    7.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0848    5.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6290    5.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4164    6.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6290    8.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4164    7.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2869    3.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3614    7.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4973    4.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4973    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7097    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7097    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 11  1  0  0  0  0
  2 21  1  0  0  0  0
  3 13  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  2  0  0  0  0
  6  9  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (471)
7282

>  <Formula> (471)
C16H14IN3O2

>  <MolWeight> (471)
407.20573

>  <Cat> (471)
S0151

>  <Name> (471)
AG-1557

>  <Synonyms> (471)
N/A

>  <Target> (471)
EGFR

>  <Form> (471)
Free Base

>  <CAS> (471)
189290-58-2

>  <URL> (471)
https://www.selleckchem.com/products/ag-1557.html

$$$$

csChFnd80/04092414142D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   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
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    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
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
 18 19  2  0  0  0  0
 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> (472)
7284

>  <Formula> (472)
C16H15FN2O4

>  <MolWeight> (472)
318.2997032

>  <Cat> (472)
S0153

>  <Name> (472)
SJ000291942

>  <Synonyms> (472)
N/A

>  <Target> (472)
TGF-beta/Smad

>  <Form> (472)
Free Base

>  <CAS> (472)
425613-09-8

>  <URL> (472)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/04092414142D

 25 29  0  0  0  0  0  0  0  0999 V2000
    3.6472    6.2794    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.3542    7.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.9315    2.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1418    9.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2315    1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8315    3.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0314    6.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3542   10.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8315    1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1315    2.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1315    4.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (473)
7300

>  <Formula> (473)
C19H11N3OS2

>  <MolWeight> (473)
361.44014

>  <Cat> (473)
S0289

>  <Name> (473)
KIN1148

>  <Synonyms> (473)
N/A

>  <Target> (473)
IFN,Influenza Virus

>  <Form> (473)
Free Base

>  <CAS> (473)
1428729-56-9

>  <URL> (473)
https://www.selleckchem.com/products/kin1148.html

$$$$

csChFnd80/04092414142D

 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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    3.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    4.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8001    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
    5.9895    5.4769    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    3.1041    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
    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> (474)
7301

>  <Formula> (474)
C17H15NO2

>  <MolWeight> (474)
265.3065

>  <Cat> (474)
S0290

>  <Name> (474)
SU5204

>  <Synonyms> (474)
N/A

>  <Target> (474)
HER2,VEGFR

>  <Form> (474)
Free Base

>  <CAS> (474)
186611-11-0

>  <URL> (474)
https://www.selleckchem.com/products/su5204.html

$$$$

csChFnd80/04092414142D

 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
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    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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    4.9448    2.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 30  1  0  0  0  0
  2 12  1  0  0  0  0
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  5 33  1  0  0  0  0
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  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
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 10 34  2  0  0  0  0
 10 40  1  0  0  0  0
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 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
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 34 37  1  0  0  0  0
 35 39  2  0  0  0  0
 36 40  2  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (475)
7309

>  <Formula> (475)
C31H29FN4O5

>  <MolWeight> (475)
556.5841632

>  <Cat> (475)
S0361

>  <Name> (475)
AMG-1

>  <Synonyms> (475)
c-Met/RON Dual Kinase Inhibitor, RON-IN-1

>  <Target> (475)
c-Met

>  <Form> (475)
Free Base

>  <CAS> (475)
913376-84-8

>  <URL> (475)
https://www.selleckchem.com/products/amg-1.html

$$$$

csChFnd80/04092414142D

 26 29  0  0  0  0  0  0  0  0999 V2000
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    3.6332    6.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9579    8.6183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9579    6.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    4.1383    0.3624    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 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> (476)
7330

>  <Formula> (476)
C22H16N2O2

>  <MolWeight> (476)
340.37464

>  <Cat> (476)
S0775

>  <Name> (476)
IRAK4-IN-4

>  <Synonyms> (476)
N/A

>  <Target> (476)
cGAS,IRAK

>  <Form> (476)
Free Base

>  <CAS> (476)
1850276-58-2

>  <URL> (476)
https://www.selleckchem.com/products/irak4-in-4.html

$$$$

csChFnd80/04092414142D

 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
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    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> (477)
7332

>  <Formula> (477)
C20H11N3O3

>  <MolWeight> (477)
341.31964

>  <Cat> (477)
S0781

>  <Name> (477)
IQ 3

>  <Synonyms> (477)
N/A

>  <Target> (477)
Interleukins,JNK,NF-¦ÊB,TNF-alpha

>  <Form> (477)
Free Base

>  <CAS> (477)
312538-03-7

>  <URL> (477)
https://www.selleckchem.com/products/iq-3.html

$$$$

csChFnd80/04092414142D

 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
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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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   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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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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> (478)
7338

>  <Formula> (478)
C26H30N6O3

>  <MolWeight> (478)
474.5548

>  <Cat> (478)
S0826

>  <Name> (478)
A-740003

>  <Synonyms> (478)
N/A

>  <Target> (478)
Interleukins,P2 Receptor

>  <Form> (478)
Free Base

>  <CAS> (478)
861393-28-4

>  <URL> (478)
https://www.selleckchem.com/products/a-740003.html

$$$$

csChFnd80/04092414142D

 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
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   10.9119    2.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2001    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> (479)
7339

>  <Formula> (479)
C15H21N3O6

>  <MolWeight> (479)
339.34374

>  <Cat> (479)
S0827

>  <Name> (479)
LM22A-4

>  <Synonyms> (479)
LM 22A4

>  <Target> (479)
Trk receptor

>  <Form> (479)
Free Base

>  <CAS> (479)
37988-18-4

>  <URL> (479)
https://www.selleckchem.com/products/lm-22a4.html

$$$$

csChFnd80/04092414142D

 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
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    3.5384    3.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6710    2.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4056    2.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9841    2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1972    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8794    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0766    1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6259    0.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4507    0.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7508    5.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1756    5.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3881    4.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6005    5.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3881    3.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8129    4.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6006    2.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8130    3.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  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
 17 19  2  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  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> (480)
7340

>  <Formula> (480)
C21H14ClFN2O2

>  <MolWeight> (480)
380.7994632

>  <Cat> (480)
S0836

>  <Name> (480)
TMN355

>  <Synonyms> (480)
N/A

>  <Target> (480)
Immunology & Inflammation related

>  <Form> (480)
Free Base

>  <CAS> (480)
1186372-20-2

>  <URL> (480)
https://www.selleckchem.com/products/tmn355.html

$$$$

csChFnd80/04092414142D

 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
    5.2268    8.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (481)
7356

>  <Formula> (481)
C22H31N9O

>  <MolWeight> (481)
437.54124

>  <Cat> (481)
S1272

>  <Name> (481)
XL228

>  <Synonyms> (481)
N/A

>  <Target> (481)
Aurora Kinase,Bcr-Abl,IGF-1R,Src

>  <Form> (481)
Free Base

>  <CAS> (481)
898280-07-4

>  <URL> (481)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/04092414142D

 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
    3.6232    4.8734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    2.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    4.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    4.1733    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6232    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6339    2.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    2.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0033    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    2.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6705    4.1703    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
    8.4722    4.8621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
    8.4676    0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6718    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.6137    8.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6236   10.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8045    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7895    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    6.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    8.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5695    6.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4501    6.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   10.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  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
 17 19  1  0  0  0  0
 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
 24 25  1  0  0  0  0
 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 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 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
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 38  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (482)
7357

>  <Formula> (482)
C29H30O13

>  <MolWeight> (482)
586.5407

>  <Cat> (482)
S1273

>  <Name> (482)
Amarogentin

>  <Synonyms> (482)
AG

>  <Target> (482)
Akt,AMPK,Apoptosis related,PI3K,Taste Receptor,TNF-alpha

>  <Form> (482)
Free Base

>  <CAS> (482)
21018-84-8

>  <URL> (482)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/04092414142D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5069    2.3728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    6.8231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2020    1.6194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    4.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    3.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7670    2.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792    5.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    6.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5720    1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0068    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 15  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (483)
7370

>  <Formula> (483)
C12H14N2O2

>  <MolWeight> (483)
218.25176

>  <Cat> (483)
S2985

>  <Name> (483)
N-Acetyl-5-hydroxytryptamine

>  <Synonyms> (483)
NAS, N-Acetylserotonin, Normelatonin, O-Demethylmelatonin

>  <Target> (483)
Trk receptor

>  <Form> (483)
Free Base

>  <CAS> (483)
1210-83-9

>  <URL> (483)
https://www.selleckchem.com/products/n-acetyl-5-hydroxytryptamine.html

$$$$

csChFnd80/04092414142D

  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> (484)
7435

>  <Formula> (484)
C4H11O4P

>  <MolWeight> (484)
154.101501

>  <Cat> (484)
S3312

>  <Name> (484)
Diethyl phosphate

>  <Synonyms> (484)
DEP, DPF, Diethyl phosphoric acid, diethyl hydrogen phosphate

>  <Target> (484)
Interleukins

>  <Form> (484)
Phosphate

>  <CAS> (484)
598-02-7

>  <URL> (484)
https://www.selleckchem.com/products/diethyl-phosphate.html

$$$$

csChFnd80/04092414142D

  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> (485)
7507

>  <Formula> (485)
R

>  <Cat> (485)
S6955

>  <Name> (485)
Insulin (human)

>  <Synonyms> (485)
Insulin regular

>  <Target> (485)
IGF-1R

>  <Form> (485)
Free Base

>  <CAS> (485)
11061-68-0

>  <URL> (485)
https://www.selleckchem.com/products/insulin.html

$$$$

csChFnd80/04092414142D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    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
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    3.7564    3.6610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    5.9744    7.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 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> (486)
7540

>  <Formula> (486)
C17H16N4O3

>  <MolWeight> (486)
324.33394

>  <Cat> (486)
S9701

>  <Name> (486)
HS-243

>  <Synonyms> (486)
N/A

>  <Target> (486)
IRAK

>  <Form> (486)
Free Base

>  <CAS> (486)
848249-10-5

>  <URL> (486)
https://www.selleckchem.com/products/hs-243.html

$$$$

csChFnd80/04092414142D

 39 44  0  0  0  0  0  0  0  0999 V2000
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    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
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    5.8404    4.1951    0.0000 C   0  0  3  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
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  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
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 18 14  2  0  0  0  0
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 27 28  2  0  0  0  0
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 29 30  2  0  0  0  0
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 31 32  2  0  0  0  0
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 30 33  1  0  0  0  0
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M  END
>  <Mol_ID> (487)
7561

>  <Formula> (487)
C29H26FN5O3S

>  <MolWeight> (487)
543.6118432

>  <Cat> (487)
S8920

>  <Name> (487)
(Rac)-JBJ-04-125-02

>  <Synonyms> (487)
JBJ-04-125-02 racemate

>  <Target> (487)
EGFR

>  <Form> (487)
Free Base

>  <CAS> (487)
2140807-05-0

>  <URL> (487)
http://www.selleckchem.com/products/jbj-04-125-02.html

$$$$

csChFnd80/04092414142D

 36 39  0  0  0  0  0  0  0  0999 V2000
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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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    6.3378    2.2374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 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
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 10 11  1  0  0  0  0
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 11 19  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
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 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 30 31  1  0  0  0  0
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 12 35  1  6  0  0  0
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M  END
>  <Mol_ID> (488)
7563

>  <Formula> (488)
C25H34O8

>  <MolWeight> (488)
462.53266

>  <Cat> (488)
S5972

>  <Name> (488)
Hydrocortisone hemisuccinate

>  <Synonyms> (488)
A-hydrocort, Hydrocortisone 21-hemisuccinate

>  <Target> (488)
Interleukins

>  <Form> (488)
Hemisuccinate

>  <CAS> (488)
2203-97-6

>  <URL> (488)
http://www.selleckchem.com/products/hydrocortisone-hemisuccinate.html

$$$$

csChFnd80/04092414142D

 40 44  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (489)
7578

>  <Formula> (489)
C29H29ClN6O4

>  <MolWeight> (489)
561.03136

>  <Cat> (489)
S9786

>  <Name> (489)
BDTX-189

>  <Synonyms> (489)
N/A

>  <Target> (489)
EGFR,HER2,RIP kinase

>  <Form> (489)
Free Base

>  <CAS> (489)
2414572-47-5

>  <URL> (489)
http://www.selleckchem.com/products/bdtx-189.html

$$$$

csChFnd80/04092414142D

 36 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (490)
7584

>  <Formula> (490)
C24H27Cl3FN5O3

>  <MolWeight> (490)
558.8602832

>  <Cat> (490)
S0711

>  <Name> (490)
Canertinib dihydrochloride

>  <Synonyms> (490)
CI-1033 dihydrochloride, PD-183805 dihydrochloride

>  <Target> (490)
EGFR

>  <Form> (490)
Dihydrochloride

>  <CAS> (490)
289499-45-2

>  <URL> (490)
http://www.selleckchem.com/products/canertinib-dihydrochloride.html

$$$$

csChFnd80/04092414142D

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 69 73  2  0  0  0  0
 73 74  1  0  0  0  0
 75 76  1  0  0  0  0
 75 77  2  0  0  0  0
 75 78  1  0  0  0  0
 76 79  2  0  0  0  0
 77 80  1  0  0  0  0
 78 81  2  0  0  0  0
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 78 83  1  0  0  0  0
 79 84  1  0  0  0  0
 80 84  2  0  0  0  0
 84 85  1  0  0  0  0
 86 87  1  0  0  0  0
 86 88  2  0  0  0  0
 86 89  1  0  0  0  0
 87 90  2  0  0  0  0
 88 91  1  0  0  0  0
 89 92  2  0  0  0  0
 89 93  2  0  0  0  0
 89 94  1  0  0  0  0
 90 95  1  0  0  0  0
 91 95  2  0  0  0  0
 95 96  1  0  0  0  0
M  END
>  <Mol_ID> (491)
7595

>  <Formula> (491)
C72H66N8O12S4

>  <MolWeight> (491)
1363.60084

>  <Cat> (491)
P1202

>  <Name> (491)
TMPyP4 tosylate

>  <Synonyms> (491)
TMP 1363

>  <Target> (491)
G-quadruplex,Telomerase

>  <Form> (491)
Tosylate

>  <CAS> (491)
36951-72-1

>  <URL> (491)
http://www.selleckchem.com/products/tmpyp4-tosylate.html

$$$$

csChFnd80/04092414142D

 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
    4.1498    4.5249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5499    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    2.8001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623    5.2249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374    3.8249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9749    3.5001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5748    5.9249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7248    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.7873    6.6249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4249    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
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   10.3997    4.9001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9997    7.3250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    5.4125    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
    9.6997    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 19  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 26  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (492)
7605

>  <Formula> (492)
C8BrF17

>  <MolWeight> (492)
498.9624544

>  <Cat> (492)
S3501

>  <Name> (492)
Perflubron

>  <Synonyms> (492)
1-Bromoperfluorooctane, Perfluorooctyl bromide, Oxygent, PFOB

>  <Target> (492)
Immunology & Inflammation related

>  <Form> (492)
Free Base

>  <CAS> (492)
423-55-2

>  <URL> (492)
http://www.selleckchem.com/products/perflubron.html

$$$$

csChFnd80/04092414142D

 44 48  0  0  0  0  0  0  0  0999 V2000
    6.0621    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    9.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    8.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.0996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0996    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1239    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5488    6.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5489    4.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3362    4.1997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    4.8997    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9117    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.8997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.7997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6992    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5489    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7613    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  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  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  4 11  1  0  0  0  0
 17 18  1  0  0  0  0
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 10 16  1  0  0  0  0
 23 24  1  6  0  0  0
 25 26  2  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 30  1  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 27  2  0  0  0  0
 31 28  2  0  0  0  0
 29 35  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
 39 40  2  0  0  0  0
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 36 41  2  0  0  0  0
 43 44  1  0  0  0  0
 42 43  1  0  0  0  0
 39 42  1  0  0  0  0
 30 36  1  0  0  0  0
 23 25  1  0  0  0  0
 10 23  1  0  0  0  0
M  END
>  <Mol_ID> (493)
7611

>  <Formula> (493)
C32H28F3N5O4

>  <MolWeight> (493)
603.5910296

>  <Cat> (493)
S8682

>  <Name> (493)
AMG 487

>  <Synonyms> (493)
N/A

>  <Target> (493)
CXCR

>  <Form> (493)
Free Base

>  <CAS> (493)
473719-41-4

>  <URL> (493)
http://www.selleckchem.com/products/amg-487.html

$$$$

csChFnd80/04092414142D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.8092    7.4556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9130    6.3968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8650    8.3369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4210    7.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8430    5.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5503    5.6968    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5503    4.2968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
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    3.8514    3.5873    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   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
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    7.6979    2.9095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 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
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 10 13  1  0  0  0  0
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 15 22  1  1  0  0  0
 15 23  1  0  0  0  0
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 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> (494)
7622

>  <Formula> (494)
C24H32O6

>  <MolWeight> (494)
416.50728

>  <Cat> (494)
S5973

>  <Name> (494)
Methylprednisolone Acetate

>  <Synonyms> (494)
NSC-19987 acetate, Medrol acetate

>  <Target> (494)
ACE,Apoptosis related,Autophagy,Glucocorticoid Receptor,Immunology & Inflammation related,Interleukins

>  <Form> (494)
Free Base

>  <CAS> (494)
53-36-1

>  <URL> (494)
http://www.selleckchem.com/products/methylprednisolone-acetate.html

$$$$

csChFnd80/04092414142D

 19 22  0  0  0  0  0  0  0  0999 V2000
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 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> (495)
7639

>  <Formula> (495)
C13H8N4OS

>  <MolWeight> (495)
268.29382

>  <Cat> (495)
S9668

>  <Name> (495)
PKR-IN-C16

>  <Synonyms> (495)
imoxin, C16, Imidazolo-oxindole PKR inhibitor C16

>  <Target> (495)
Apoptosis related,eIF,Interleukins,PKR

>  <Form> (495)
Free Base

>  <CAS> (495)
608512-97-6

>  <URL> (495)
http://www.selleckchem.com/products/pkr-in-c16.html

$$$$

csChFnd80/04092414142D

 63 62  0  0  0  0  0  0  0  0999 V2000
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   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
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   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
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   13.3371    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
 24 36  1  0  0  0  0
 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> (496)
7677

>  <Formula> (496)
C57H104O6

>  <MolWeight> (496)
885.43206

>  <Cat> (496)
S3590

>  <Name> (496)
Triolein

>  <Synonyms> (496)
N/A

>  <Target> (496)
Interleukins,MMP,ROS

>  <Form> (496)
Free Base

>  <CAS> (496)
122-32-7

>  <URL> (496)
http://www.selleckchem.com/products/triolein.html

$$$$

csChFnd80/04092414142D

 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
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   12.5709    4.4413    0.0000 C   0  0  1  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> (497)
7678

>  <Formula> (497)
C21H22F2N6O2

>  <MolWeight> (497)
428.4351864

>  <Cat> (497)
S5860

>  <Name> (497)
Larotrectinib

>  <Synonyms> (497)
Vitrakvi, LOXO-101, ARRY-470

>  <Target> (497)
Trk receptor

>  <Form> (497)
Free Base

>  <CAS> (497)
1223403-58-4

>  <URL> (497)
http://www.selleckchem.com/products/larotrectinib.html

$$$$

csChFnd80/04092414142D

 23 26  0  0  0  0  0  0  0  0999 V2000
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    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
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    4.5612    9.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4 13  2  0  0  0  0
  4 21  1  0  0  0  0
  5 15  1  0  0  0  0
  5 22  1  0  0  0  0
  6 18  1  0  0  0  0
  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> (498)
7696

>  <Formula> (498)
C16H16N6O

>  <MolWeight> (498)
308.33784

>  <Cat> (498)
S3515

>  <Name> (498)
Benpyrine racemate

>  <Synonyms> (498)
(Rac)-Benpyrine

>  <Target> (498)
TNF-alpha

>  <Form> (498)
Free Base

>  <CAS> (498)
1333714-43-4

>  <URL> (498)
http://www.selleckchem.com/products/benpyrine-racemate.html

$$$$

csChFnd80/04092414142D

 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
    3.6373    2.1000    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
    3.6373    0.7000    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
    6.0623    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
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   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
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  8 17  1  0  0  0  0
  9 23  1  0  0  0  0
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 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> (499)
7708

>  <Formula> (499)
C28H38Cl3N5O3S

>  <MolWeight> (499)
631.05702

>  <Cat> (499)
S4967

>  <Name> (499)
Ceritinib dihydrochloride

>  <Synonyms> (499)
Zykadia, LDK378 dihydrochloride

>  <Target> (499)
ALK,IGF-1R,Serine/threonin kinase

>  <Form> (499)
Dihydrochloride

>  <CAS> (499)
1380575-43-8

>  <URL> (499)
http://www.selleckchem.com/products/ceritinib-dihydrochloride.html

$$$$

csChFnd80/04092414142D

 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
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   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> (500)
7711

>  <Formula> (500)
C21H23Cl3FN5O

>  <MolWeight> (500)
486.7976232

>  <Cat> (500)
S5190

>  <Name> (500)
Crizotinib hydrochloride

>  <Synonyms> (500)
Xalkori, PF-02341066 hydrochloride

>  <Target> (500)
ALK,Autophagy,c-Met,ROS1

>  <Form> (500)
Hydrochloride

>  <CAS> (500)
1415560-69-8

>  <URL> (500)
http://www.selleckchem.com/products/crizotinib-hydrochloride.html

$$$$

csChFnd80/04092414142D

 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
    8.5702    4.7640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5702    2.5106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    5.5084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    6.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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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    7.5700    9.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8750    8.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    9.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8873    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7872    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    6.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3953    7.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5873    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4872    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  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> (501)
7726

>  <Formula> (501)
C26H25N5O

>  <MolWeight> (501)
423.5096

>  <Cat> (501)
S3231

>  <Name> (501)
UCB-9260

>  <Synonyms> (501)
N/A

>  <Target> (501)
NF-¦ÊB,TNF-alpha

>  <Form> (501)
Free Base

>  <CAS> (501)
1515888-53-5

>  <URL> (501)
http://www.selleckchem.com/products/ucb-9260.html

$$$$

csChFnd80/04092414142D

 26 31  0  0  0  0  0  0  0  0999 V2000
    4.7250    2.8918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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
    2.3417    2.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3820    0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7910    0.2946    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
    9.6281    2.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3597    0.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8798    2.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8798    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0922    2.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0922    0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3046    2.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3046    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4465    1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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> (502)
7767

>  <Formula> (502)
C21H27NO4

>  <MolWeight> (502)
357.44338

>  <Cat> (502)
S3479

>  <Name> (502)
R243

>  <Synonyms> (502)
N/A

>  <Target> (502)
CCR

>  <Form> (502)
Free Base

>  <CAS> (502)
688352-84-3

>  <URL> (502)
http://www.selleckchem.com/products/r243.html

$$$$

csChFnd80/04092414142D

 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
    7.2776    2.0977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0656    2.7975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5622    4.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9299    4.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7793    4.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1435    4.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9233    2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4882    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4149    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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  2 22  1  0  0  0  0
  3 24  1  0  0  0  0
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  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
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 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
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 22 25  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (503)
7778

>  <Formula> (503)
C17H15N3O6

>  <MolWeight> (503)
357.3175

>  <Cat> (503)
S4842

>  <Name> (503)
Balsalazide

>  <Synonyms> (503)
Colazal, Giazo

>  <Target> (503)
Immunology & Inflammation related,Interleukins,STAT

>  <Form> (503)
Free Base

>  <CAS> (503)
80573-04-2

>  <URL> (503)
http://www.selleckchem.com/products/balsalazide.html

$$$$

csChFnd80/04092414142D

 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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  8 26  2  0  0  0  0
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 10 14  1  0  0  0  0
 10 26  1  0  0  0  0
 11 16  1  0  0  0  0
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 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> (504)
7779

>  <Formula> (504)
C21H16Cl2F4N4O3

>  <MolWeight> (504)
519.2763528

>  <Cat> (504)
S4947

>  <Name> (504)
Regorafenib Hydrochloride

>  <Synonyms> (504)
Stivarga, BAY 73-4506 hydrochloride

>  <Target> (504)
c-Kit,c-RET,PDGFR,Raf,VEGFR

>  <Form> (504)
Hydrochloride

>  <CAS> (504)
835621-07-3

>  <URL> (504)
http://www.selleckchem.com/products/regorafenib-hydrochloride.html

$$$$

csChFnd80/04092414142D

 31 33  0  0  0  0  0  0  0  0999 V2000
   10.9119    2.1000    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
    6.0622   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 N   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
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    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
    7.2746    4.2000    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
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
  2 12  1  0  0  0  0
  3 28  1  0  0  0  0
  4 23  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
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  9 13  2  0  0  0  0
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 22 23  1  0  0  0  0
 24 29  2  0  0  0  0
 25 29  1  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (505)
7787

>  <Formula> (505)
C27H31NO3

>  <MolWeight> (505)
417.53994

>  <Cat> (505)
S3449

>  <Name> (505)
GSK5182

>  <Synonyms> (505)
N/A

>  <Target> (505)
Estrogen/progestogen Receptor

>  <Form> (505)
Free Base

>  <CAS> (505)
877387-37-6

>  <URL> (505)
http://www.selleckchem.com/products/gsk5182.html

$$$$

csChFnd80/04092414142D

 36 41  0  0  0  0  0  0  0  0999 V2000
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   11.2221    6.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0096    5.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6207    1.3610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0  0  0  0
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 16 21  2  0  0  0  0
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 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
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 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
 31 35  1  0  0  0  0
 33 36  1  6  0  0  0
 20 31  1  0  0  0  0
  8 19  1  0  0  0  0
M  END
>  <Mol_ID> (506)
7829

>  <Formula> (506)
C24H25N7O5

>  <MolWeight> (506)
491.4992

>  <Cat> (506)
S9779

>  <Name> (506)
Emavusertib (CA-4948)

>  <Synonyms> (506)
N/A

>  <Target> (506)
FLT3,IRAK

>  <Form> (506)
Free Base

>  <CAS> (506)
1801344-14-8

>  <URL> (506)
http://www.selleckchem.com/products/ca-4948.html

$$$$

csChFnd80/04092414142D

 14 14  0  0  0  0  0  0  0  0999 V2000
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   12.1674    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8359    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2192    3.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5448    1.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2134    2.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5505    3.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8820    2.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
 10 13  3  0  0  0  0
 11 12  1  0  0  0  0
 12 14  3  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (507)
7833

>  <Formula> (507)
C13H10O

>  <MolWeight> (507)
182.2179

>  <Cat> (507)
E0008

>  <Name> (507)
Atractylodin

>  <Synonyms> (507)
Atractydin

>  <Target> (507)
Interleukins

>  <Form> (507)
Free Base

>  <CAS> (507)
55290-63-6

>  <URL> (507)
http://www.selleckchem.com/products/atractylodin.html

$$$$

csChFnd80/04092414142D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
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  5  7  1  0  0  0  0
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  6  8  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
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
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 14 20  1  0  0  0  0
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 19 22  1  0  0  0  0
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M  END
>  <Mol_ID> (508)
7857

>  <Formula> (508)
C16H24N2O4

>  <MolWeight> (508)
308.37276

>  <Cat> (508)
S0292

>  <Name> (508)
MSX-127

>  <Synonyms> (508)
NSC23026

>  <Target> (508)
CXCR

>  <Form> (508)
Free Base

>  <CAS> (508)
6616-56-4

>  <URL> (508)
http://www.selleckchem.com/products/msx-127.html

$$$$

csChFnd80/04092414142D

 40 46  0  0  0  0  0  0  0  0999 V2000
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   11.2987    3.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4530    3.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5444    4.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0987    3.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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  2  6  1  0  0  0  0
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 33 39  2  0  0  0  0
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 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
M  END
>  <Mol_ID> (509)
7858

>  <Formula> (509)
C36H26N4

>  <MolWeight> (509)
514.61844

>  <Cat> (509)
S0293

>  <Name> (509)
MSX-130

>  <Synonyms> (509)
N/A

>  <Target> (509)
CXCR

>  <Form> (509)
Free Base

>  <CAS> (509)
4051-59-6

>  <URL> (509)
http://www.selleckchem.com/products/msx-130.html

$$$$

csChFnd80/04092414142D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (510)
7865

>  <Formula> (510)
C30H32F2O2

>  <MolWeight> (510)
462.5706864

>  <Cat> (510)
S0472

>  <Name> (510)
EC330

>  <Synonyms> (510)
N/A

>  <Target> (510)
Interleukins

>  <Form> (510)
Free Base

>  <CAS> (510)
2016795-77-8

>  <URL> (510)
http://www.selleckchem.com/products/ec330.html

$$$$

csChFnd80/04092414142D

 31 33  0  0  0  0  0  0  0  0999 V2000
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    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> (511)
7887

>  <Formula> (511)
C21H23ClF3N3O3

>  <MolWeight> (511)
457.8738296

>  <Cat> (511)
S3544

>  <Name> (511)
VBIT-4

>  <Synonyms> (511)
N/A

>  <Target> (511)
IFN,VDAC

>  <Form> (511)
Free Base

>  <CAS> (511)
2086257-77-2

>  <URL> (511)
http://www.selleckchem.com/products/vbit-4.html

$$$$

csChFnd80/04092414142D

 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> (512)
7904

>  <Formula> (512)
C12H22ClN3OS

>  <MolWeight> (512)
291.84058

>  <Cat> (512)
S6078

>  <Name> (512)
ICCB-19 hydrochloride

>  <Synonyms> (512)
N/A

>  <Target> (512)
Autophagy,RIP kinase

>  <Form> (512)
Hydrochloride

>  <CAS> (512)
1803605-68-6

>  <URL> (512)
http://www.selleckchem.com/products/iccb-19-hydrochloride.html

$$$$

csChFnd80/04092414142D

 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> (513)
7914

>  <Formula> (513)
C12H16N6O4

>  <MolWeight> (513)
308.29324

>  <Cat> (513)
S6347

>  <Name> (513)
5'-N-Ethylcarboxamidoadenosine (NECA)

>  <Synonyms> (513)
5'-(N-Ethylcarboxamido)adenosine, Adenosine-5'N-ethylcarboxamide, 5'-Ethylcarboxamidoadenosine

>  <Target> (513)
Adenosine Receptor,CD markers,Interleukins,JNK,p38 MAPK,TNF-alpha

>  <Form> (513)
Free Base

>  <CAS> (513)
35920-39-9

>  <URL> (513)
http://www.selleckchem.com/products/5-n-ethylcarboxamidoadenosine.html

$$$$

csChFnd80/04092414142D

 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> (514)
7941

>  <Formula> (514)
C21H22ClF3N2O2

>  <MolWeight> (514)
426.8597896

>  <Cat> (514)
S7538

>  <Name> (514)
RS-102895 Hydrochloride

>  <Synonyms> (514)
RS-102895 HCl

>  <Target> (514)
5-HT Receptor,Adrenergic Receptor,CCR

>  <Form> (514)
Hydrochloride

>  <CAS> (514)
1173022-16-6

>  <URL> (514)
http://www.selleckchem.com/products/rs-102895-hydrochloride.html

$$$$

csChFnd80/04092414142D

 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> (515)
7942

>  <Formula> (515)
C26H26ClN3O4

>  <MolWeight> (515)
479.95534

>  <Cat> (515)
S7647

>  <Name> (515)
Lucitanib (E3810) hydrochloride

>  <Synonyms> (515)
AL3810

>  <Target> (515)
FGFR,VEGFR

>  <Form> (515)
Hydrochloride

>  <CAS> (515)
1058137-23-7

>  <URL> (515)
http://www.selleckchem.com/products/lucitanib.html

$$$$

csChFnd80/04092414142D

 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> (516)
7993

>  <Formula> (516)
C25H33NaO8

>  <MolWeight> (516)
484.51449

>  <Cat> (516)
E0177

>  <Name> (516)
Hydrocortisone sodium succinate

>  <Synonyms> (516)
Hydrocortisone 21-hemisuccinate sodium salt

>  <Target> (516)
Glucocorticoid Receptor,Interleukins

>  <Form> (516)
Sodium succinate

>  <CAS> (516)
125-04-2

>  <URL> (516)
http://www.selleckchem.com/products/hydrocortisone-sodium-succinate.html

$$$$

csChFnd80/04092414142D

 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
    3.2835   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    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
    2.0711   15.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.2835   17.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1 23  1  0  0  0  0
  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> (517)
7999

>  <Formula> (517)
C25H33Cl4N3O5

>  <MolWeight> (517)
597.35862

>  <Cat> (517)
E0314

>  <Name> (517)
JTE-607 Dihydrochloride

>  <Synonyms> (517)
N/A

>  <Target> (517)
Interleukins,TNF-alpha

>  <Form> (517)
Dihydrochloride

>  <CAS> (517)
188791-09-5

>  <URL> (517)
http://www.selleckchem.com/products/jte-607-dihydrochloride.html

$$$$

csChFnd80/04092414142D

 41 44  0  0  0  0  0  0  0  0999 V2000
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    0.0000    6.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    8.0659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.9659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6995    8.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.5659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9295    3.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    2.4116    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7622    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1948    3.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5392    1.2788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995   15.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   16.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118   17.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   16.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   15.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118   14.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   17.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746   16.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   17.8659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
 15 16  1  0  0  0  0
 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
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 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> (518)
8008

>  <Formula> (518)
C29H35ClFN7O3

>  <MolWeight> (518)
584.0847032

>  <Cat> (518)
E0368

>  <Name> (518)
Sunvozertinib

>  <Synonyms> (518)
DZD9008

>  <Target> (518)
EGFR

>  <Form> (518)
Free Base

>  <CAS> (518)
2370013-49-1

>  <URL> (518)
http://www.selleckchem.com/products/dzd9008.html

$$$$

csChFnd80/04092414142D

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M  END
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8045

>  <Formula> (519)
C21H21F3N2O2

>  <MolWeight> (519)
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>  <Cat> (519)
S3383

>  <Name> (519)
RS102895

>  <Synonyms> (519)
N/A

>  <Target> (519)
CCR

>  <Form> (519)
Free Base

>  <CAS> (519)
300815-41-2

>  <URL> (519)
http://www.selleckchem.com/products/rs102895.html

$$$$

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M  END
>  <Mol_ID> (520)
8062

>  <Formula> (520)
C27H23FN4O4S

>  <MolWeight> (520)
518.5593232

>  <Cat> (520)
S6764

>  <Name> (520)
Pamufetinib (TAS-115)

>  <Synonyms> (520)
N/A

>  <Target> (520)
c-Met,VEGFR

>  <Form> (520)
Free Base

>  <CAS> (520)
1190836-34-0

>  <URL> (520)
http://www.selleckchem.com/products/tas-115.html

$$$$

csChFnd80/04092414142D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (521)
8070

>  <Formula> (521)
C21H24ClFN4O3

>  <MolWeight> (521)
434.8916632

>  <Cat> (521)
S7604

>  <Name> (521)
BX471

>  <Synonyms> (521)
ZK811752, BAY 865047, SH T 04268H

>  <Target> (521)
CCR

>  <Form> (521)
Free Base

>  <CAS> (521)
217645-70-0

>  <URL> (521)
http://www.selleckchem.com/products/bx471.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (522)
8072

>  <Formula> (522)
C29H31F3N6O3

>  <MolWeight> (522)
568.5900496

>  <Cat> (522)
S8361

>  <Name> (522)
PF-4136309

>  <Synonyms> (522)
INCB8761, PF-04136309

>  <Target> (522)
CCR

>  <Form> (522)
Free Base

>  <CAS> (522)
857679-55-1

>  <URL> (522)
http://www.selleckchem.com/products/pf-4136309.html

$$$$

csChFnd80/04092414142D

 35 38  0  0  0  0  0  0  0  0999 V2000
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   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    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
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    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
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    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  1 34  1  0  0  0  0
  2 27  1  0  0  0  0
  2 35  1  0  0  0  0
  3 21  2  0  0  0  0
  9  4  1  0  0  0  0
  4 15  1  0  0  0  0
  5 14  1  0  0  0  0
  5 21  1  0  0  0  0
  6 15  2  0  0  0  0
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  8 31  1  0  0  0  0
  8 32  2  0  0  0  0
  9 10  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
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 21 26  1  0  0  0  0
 23 25  1  0  0  0  0
 24 28  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (523)
8107

>  <Formula> (523)
C27H27N5O3

>  <MolWeight> (523)
469.53498

>  <Cat> (523)
E0050

>  <Name> (523)
Seralutinib (GB002)

>  <Synonyms> (523)
PK10571

>  <Target> (523)
PDGFR

>  <Form> (523)
Free Base

>  <CAS> (523)
1619931-27-9

>  <URL> (523)
http://www.selleckchem.com/products/seralutinib-pk10571.html

$$$$

csChFnd80/04092414142D

 15 16  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573    0.0000    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  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (524)
8114

>  <Formula> (524)
C12H10FNO

>  <MolWeight> (524)
203.2123032

>  <Cat> (524)
E0084

>  <Name> (524)
Fluorofenidone

>  <Synonyms> (524)
AKF-PD

>  <Target> (524)
NADPH-oxidase

>  <Form> (524)
Free Base

>  <CAS> (524)
848353-85-5

>  <URL> (524)
http://www.selleckchem.com/products/fluorofenidone.html

$$$$

csChFnd80/04092414142D

 32 35  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 O   0  0  0  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
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3865   12.6689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 24  2  0  0  0  0
 11 32  1  0  0  0  0
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 14 15  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
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 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
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 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (525)
8126

>  <Formula> (525)
C21H18O11

>  <MolWeight> (525)
446.36102

>  <Cat> (525)
E0130

>  <Name> (525)
Apigenin-7-O-glucuronide

>  <Synonyms> (525)
Apigenin-7-glucuronide

>  <Target> (525)
TNF-alpha

>  <Form> (525)
Free Base

>  <CAS> (525)
29741-09-1

>  <URL> (525)
http://www.selleckchem.com/products/apigenin-7-o-glucuronide.html

$$$$

csChFnd80/04092414142D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (526)
8150

>  <Formula> (526)
C25H27N3O3

>  <MolWeight> (526)
417.50018

>  <Cat> (526)
S9738

>  <Name> (526)
RS504393

>  <Target> (526)
CCR

>  <Form> (526)
free base

>  <CAS> (526)
300816-15-3

>  <URL> (526)
http://www.selleckchem.com/products/rs504393.html

$$$$

csChFnd80/04092414142D

 36 41  0  0  0  0  0  0  0  0999 V2000
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  8 11  1  0  0  0  0
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 11 16  1  0  0  0  0
 11 19  2  0  0  0  0
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 13 15  1  0  0  0  0
 14 22  1  1  0  0  0
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 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
 27 28  2  0  0  0  0
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 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
>  <Mol_ID> (527)
8155

>  <Formula> (527)
C29H33ClN6

>  <MolWeight> (527)
501.06552

>  <Cat> (527)
S9892

>  <Name> (527)
HM43239

>  <Synonyms> (527)
N/A

>  <Target> (527)
FLT3

>  <Form> (527)
free base

>  <CAS> (527)
2569527-64-4

>  <URL> (527)
http://www.selleckchem.com/products/hm43239.html

$$$$

csChFnd80/04092414142D

 16 18  0  0  0  0  0  0  0  0999 V2000
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    6.1278    5.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  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
  2 10  2  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
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 11 12  1  0  0  0  0
  3 11  2  0  0  0  0
M  END
>  <Mol_ID> (528)
8211

>  <Formula> (528)
C13H9NOS

>  <MolWeight> (528)
227.28166

>  <Cat> (528)
S0291

>  <Name> (528)
SU5208

>  <Synonyms> (528)
3-[(Thien-2-yl)methylene]-2-indolinone

>  <Target> (528)
VEGFR

>  <Form> (528)
free base

>  <CAS> (528)
62540-08-3

>  <URL> (528)
http://www.selleckchem.com/products/su5208.html

$$$$

csChFnd80/04092414142D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.1785    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  3 16  2  0  0  0  0
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  5  7  1  0  0  0  0
  5 14  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 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
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 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> (529)
8231

>  <Formula> (529)
C16H10FN3O2

>  <MolWeight> (529)
295.2679032

>  <Cat> (529)
S0550

>  <Name> (529)
5'-Fluoroindirubinoxime

>  <Synonyms> (529)
5'-FIO, compound 13

>  <Target> (529)
FLT3

>  <Form> (529)
free base

>  <CAS> (529)
861214-33-7

>  <URL> (529)
http://www.selleckchem.com/products/5-fluoroindirubinoxime.html

$$$$

csChFnd80/04092414142D

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.6997    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2748    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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    6.0623    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  1  6  2  0  0  0  0
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 10 11  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 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> (530)
8241

>  <Formula> (530)
C16H14N2O2

>  <MolWeight> (530)
266.29456

>  <Cat> (530)
S0763

>  <Name> (530)
Tyrphostin AG1433

>  <Synonyms> (530)
SU1433, AG1433

>  <Target> (530)
PDGFR,VEGFR

>  <Form> (530)
free base

>  <CAS> (530)
168835-90-3

>  <URL> (530)
http://www.selleckchem.com/products/tyrphostin-ag1433.html

$$$$

csChFnd80/04092414142D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (531)
8287

>  <Formula> (531)
C11H8Cl2N2O2

>  <MolWeight> (531)
271.09942

>  <Cat> (531)
S3540

>  <Name> (531)
UTL-5g

>  <Synonyms> (531)
GBL-5g

>  <Target> (531)
TNF-alpha

>  <Form> (531)
free base

>  <CAS> (531)
646530-37-2

>  <URL> (531)
http://www.selleckchem.com/products/utl-5g.html

$$$$

csChFnd80/04092414142D

 35 38  0  0  0  0  0  0  0  0999 V2000
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A   35
(E)
M  END
>  <Mol_ID> (532)
8290

>  <Formula> (532)
C28H27N3O3R

>  <MolWeight> (532)
453.53228

>  <Cat> (532)
S3552

>  <Name> (532)
SIS3

>  <Synonyms> (532)
N/A

>  <Target> (532)
TGF-beta/Smad

>  <Form> (532)
free base

>  <CAS> (532)
1009104-85-1

>  <URL> (532)
http://www.selleckchem.com/products/sis3.html

$$$$

csChFnd80/04092414142D

 48 52  0  0  0  0  0  0  0  0999 V2000
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M  END
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8316

>  <Formula> (533)
C34H36Cl2N8O4

>  <MolWeight> (533)
691.60684

>  <Cat> (533)
S7715

>  <Name> (533)
FIIN-3

>  <Target> (533)
FGFR

>  <Form> (533)
free base

>  <CAS> (533)
1637735-84-2

>  <URL> (533)
http://www.selleckchem.com/products/fiin-3.html

$$$$

csChFnd80/04092414142D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (534)
8319

>  <Formula> (534)
C25H20F3N5O2

>  <MolWeight> (534)
479.4538096

>  <Cat> (534)
E0340

>  <Name> (534)
CSF1R-IN-1

>  <Synonyms> (534)
N/A

>  <Target> (534)
CSF-1R

>  <Form> (534)
free base

>  <CAS> (534)
2095849-04-8

>  <URL> (534)
http://www.selleckchem.com/products/csf1r-in-1.html

$$$$

csChFnd80/04092414142D

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8335

>  <Formula> (535)
C22H21ClN2O4S

>  <MolWeight> (535)
444.93114

>  <Cat> (535)
E0395

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>  <Synonyms> (535)
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>  <Target> (535)
CCR

>  <Form> (535)
free base

>  <CAS> (535)
698394-73-9

>  <URL> (535)
http://www.selleckchem.com/products/vercirnon.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (536)
8361

>  <Formula> (536)
C27H41N5O2

>  <MolWeight> (536)
467.64674

>  <Cat> (536)
E0486

>  <Name> (536)
C-021

>  <Target> (536)
CCR

>  <Form> (536)
free base

>  <CAS> (536)
864289-85-0

>  <URL> (536)
http://www.selleckchem.com/products/c-021.html

$$$$

csChFnd80/04092414142D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 18 15  2  0  0  0  0
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M  END
>  <Mol_ID> (537)
8375

>  <Formula> (537)
C14H10N4O3

>  <MolWeight> (537)
282.2542

>  <Cat> (537)
E0533

>  <Name> (537)
IRAK-4 protein kinase inhibitor 2

>  <Target> (537)
IRAK

>  <Form> (537)
free base

>  <CAS> (537)
301675-24-1

>  <URL> (537)
http://www.selleckchem.com/products/irak-4-protein-kinase-inhibitor-2.html

$$$$

csChFnd80/04092414142D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (538)
8376

>  <Formula> (538)
C15H11BrN2O

>  <MolWeight> (538)
315.16464

>  <Cat> (538)
E0534

>  <Name> (538)
WAY-340935

>  <Synonyms> (538)
VEGFR2-IN-2

>  <Target> (538)
VEGFR

>  <Form> (538)
free base

>  <CAS> (538)
737818-56-3

>  <URL> (538)
http://www.selleckchem.com/products/way-340935.html

$$$$

csChFnd80/04092414142D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (539)
8422

>  <Formula> (539)
C12H11N3O4S

>  <MolWeight> (539)
293.29844

>  <Cat> (539)
E0794

>  <Name> (539)
MID-1

>  <Target> (539)
IGF-1R

>  <Form> (539)
free base

>  <CAS> (539)
312608-54-1

>  <URL> (539)
http://www.selleckchem.com/products/mid-1.html

$$$$

csChFnd80/04092414142D

 42 44  0  0  0  0  0  0  0  0999 V2000
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A   42
.
M  END
>  <Mol_ID> (540)
8431

>  <Formula> (540)
C29H34N6O4RS2

>  <MolWeight> (540)
594.74806

>  <Cat> (540)
E0814

>  <Name> (540)
Masitinib mesylate

>  <Synonyms> (540)
AB-1010 mesylate

>  <Target> (540)
c-Kit,FAK,FGFR,PDGFR,Src

>  <Form> (540)
Mesylate

>  <CAS> (540)
1048007-93-7

>  <URL> (540)
https://www.selleckchem.com/products/masitinib-mesylate.html

$$$$

csChFnd80/04092414142D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 30  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
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 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (541)
8435

>  <Formula> (541)
C24H18ClFN4O2

>  <MolWeight> (541)
448.8767232

>  <Cat> (541)
E0822

>  <Name> (541)
AST-1306

>  <Synonyms> (541)
Allitinib

>  <Target> (541)
EGFR

>  <Form> (541)
free base

>  <CAS> (541)
897383-62-9

>  <URL> (541)
http://www.selleckchem.com/products/ast-1306.html

$$$$

csChFnd80/04092414142D

 30 33  0  0  0  0  0  0  0  0999 V2000
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    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
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  3  4  1  0  0  0  0
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  5 25  1  0  0  0  0
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  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
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 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
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 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
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 28 30  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (542)
8440

>  <Formula> (542)
C21H22ClFN4O3

>  <MolWeight> (542)
432.8757832

>  <Cat> (542)
E0833

>  <Name> (542)
O-Demethyl-Gefitinib

>  <Target> (542)
EGFR

>  <Form> (542)
free base

>  <CAS> (542)
847949-49-9

>  <URL> (542)
http://www.selleckchem.com/products/o-demethyl-gefitinib.html

$$$$

csChFnd80/04092414142D

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844439-96-9

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439144-66-8

>  <URL> (544)
http://www.selleckchem.com/products/imd-0560.html

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2254805-62-2

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 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 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
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (547)
8532

>  <Formula> (547)
C15H13N3O6

>  <MolWeight> (547)
331.28022

>  <Cat> (547)
E2390

>  <Name> (547)
Thalidomide-5-NH2-CH2-COOH

>  <Target> (547)
Trk receptor

>  <Form> (547)
free base

>  <CAS> (547)
2412056-27-8

>  <URL> (547)
http://www.selleckchem.com/products/thalidomide-5-nh2-ch2-cooh.html

$$$$

csChFnd80/04092414142D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    6.4982    1.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9308    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3308    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6655    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3593    2.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1615    0.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0982    1.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  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
  7 12  2  0  0  0  0
 12  3  1  0  0  0  0
  6  4  1  0  0  0  0
  5 13  1  0  0  0  0
 14 15  1  0  0  0  0
 10 14  1  0  0  0  0
 16 17  1  0  0  0  0
  9 16  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
 18 23  2  0  0  0  0
 20 24  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (548)
8534

>  <Formula> (548)
C18H16FN3O2

>  <MolWeight> (548)
325.3369432

>  <Cat> (548)
E2393

>  <Name> (548)
JNJ-10198409

>  <Target> (548)
PDGFR

>  <Form> (548)
free base

>  <CAS> (548)
627518-40-5

>  <URL> (548)
http://www.selleckchem.com/products/jnj-10198409.html

$$$$
>  <Mol_ID> (549)
8553

>  <Cat> (549)
E2548

>  <Name> (549)
N-(p-Coumaroyl) Serotonin

>  <Synonyms> (549)
p-coumaroylserotonin

>  <Target> (549)
PDGFR

>  <Form> (549)
free base

>  <CAS> (549)
68573-24-0

>  <URL> (549)
http://www.selleckchem.com/products/n--p-coumaroyl--serotonin.html

$$$$

csChFnd80/04092414142D

 28 32  0  0  0  0  0  0  0  0999 V2000
    6.0623    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    6.9998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6415    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2512    5.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6205    4.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
  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
 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
 11 16  1  0  0  0  0
  8 13  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
 17 22  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
 23 28  1  0  0  0  0
 20 23  1  6  0  0  0
 17 10  1  1  0  0  0
M  END
>  <Mol_ID> (550)
8566

>  <Formula> (550)
C21H31N5O2

>  <MolWeight> (550)
385.50314

>  <Cat> (550)
E2647

>  <Name> (550)
AZ1495

>  <Target> (550)
IRAK

>  <Form> (550)
free base

>  <CAS> (550)
2196204-23-4

>  <URL> (550)
http://www.selleckchem.com/products/az1495.html

$$$$

csChFnd80/04092414142D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
  7 12  2  0  0  0  0
 12 13  1  0  0  0  0
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  5 14  1  0  0  0  0
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  6 16  1  0  0  0  0
 13 19  2  0  0  0  0
M  END
>  <Mol_ID> (551)
8573

>  <Formula> (551)
C15H11NO3

>  <MolWeight> (551)
253.25274

>  <Cat> (551)
E2664

>  <Name> (551)
Cridanimod

>  <Target> (551)
STING

>  <Form> (551)
free base

>  <CAS> (551)
38609-97-1

>  <URL> (551)
http://www.selleckchem.com/products/cridanimod.html

$$$$

csChFnd80/04092414142D

 32 31  0  0  0  0  0  0  0  0999 V2000
    8.5406    2.8005    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.3277    2.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9664    2.8005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1793    2.1014    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  6  0  0  0
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  2  5  1  0  0  0  0
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  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
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 10 15  1  1  0  0  0
 10 16  1  0  0  0  0
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 13 18  1  0  0  0  0
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 14 20  2  0  0  0  0
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 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  2  0  0  0  0
 26 28  1  0  0  0  0
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 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (552)
8618

>  <Formula> (552)
C21H42N6O5

>  <MolWeight> (552)
458.59538

>  <Cat> (552)
P1164

>  <Name> (552)
LSKL, Inhibitor of Thrombospondin (TSP-1)

>  <Target> (552)
TGF-beta/Smad

>  <Form> (552)
free base

>  <CAS> (552)
283609-79-0

>  <URL> (552)
http://www.selleckchem.com/products/lskl--Inhibitor-of-thrombospondin--tsp-1--tfa-.html

$$$$
>  <Mol_ID> (553)
8621

>  <Cat> (553)
P1167

>  <Name> (553)
pm26TGF-¦Â1 peptide (TFA)

>  <Target> (553)
TGF-beta/Smad

>  <Form> (553)
free base

>  <URL> (553)
http://www.selleckchem.com/products/pm26tgf-beta1-peptide--tfa-.html

$$$$

csChFnd80/04092414142D

109110  0  0  0  0  0  0  0  0999 V2000
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   18.2112   10.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3882   16.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1793   14.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (554)
8624

>  <Formula> (554)
C68H109N17O22S2

>  <MolWeight> (554)
1580.82376

>  <Cat> (554)
P1218

>  <Name> (554)
Disitertide(P144)

>  <Target> (554)
PI3K,TGF-beta/Smad

>  <Form> (554)
free base

>  <CAS> (554)
272105-42-7

>  <URL> (554)
http://www.selleckchem.com/products/disitertide.html

$$$$

csChFnd80/04092414142D

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  7 11  2  0  0  0  0
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 10 15  1  0  0  0  0
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 56 21  1  1  0  0  0
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 27 30  1  0  0  0  0
 29 31  1  0  0  0  0
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 31 34  2  0  0  0  0
 32 35  1  0  0  0  0
 32 36  2  0  0  0  0
 35 37  1  0  0  0  0
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 41 42  1  0  0  0  0
 41 43  1  6  0  0  0
 42 44  1  0  0  0  0
 42 45  2  0  0  0  0
 43 46  1  0  0  0  0
 44 47  1  0  0  0  0
 47 48  1  1  0  0  0
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 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (555)
8645

>  <Formula> (555)
C33H54N12O15

>  <MolWeight> (555)
858.85326

>  <Cat> (555)
P1137

>  <Name> (555)
Thymulin

>  <Synonyms> (555)
FTS

>  <Target> (555)
CCR,Interleukins

>  <Form> (555)
free base

>  <CAS> (555)
63958-90-7

>  <URL> (555)
http://www.selleckchem.com/products/thymulin.html

$$$$

csChFnd80/04092414142D

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  2 31  1  0  0  0  0
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M  END
>  <Mol_ID> (556)
8689

>  <Formula> (556)
C26H27FN10

>  <MolWeight> (556)
498.5579832

>  <Cat> (556)
S8553

>  <Name> (556)
Avapritinib (BLU-285)

>  <Synonyms> (556)
N/A

>  <Target> (556)
c-Kit,PDGFR

>  <Form> (556)
free base

>  <CAS> (556)
1703793-34-3

>  <URL> (556)
http://www.selleckchem.com/products/blu-285.html

$$$$

csChFnd80/04092414142D

 42 46  0  0  0  0  0  0  0  0999 V2000
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    0.0042    2.0927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
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 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 33  1  0  0  0  0
 26 38  1  1  0  0  0
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 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (557)
8717

>  <Formula> (557)
C29H34F3N3O6

>  <MolWeight> (557)
577.5919696

>  <Cat> (557)
S8220

>  <Name> (557)
INCB3344

>  <Target> (557)
CCR

>  <Form> (557)
Free base

>  <CAS> (557)
1262238-11-8

>  <URL> (557)
http://www.selleckchem.com/products/incb3344.html

$$$$

csChFnd80/04092414142D

 27 31  0  0  0  0  0  0  0  0999 V2000
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  1 12  1  0  0  0  0
  2 14  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 20  2  0  0  0  0
  6 24  1  0  0  0  0
  6 26  2  0  0  0  0
  7 10  1  0  0  0  0
  7 16  1  6  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 17  1  0  0  0  0
 13 15  2  0  0  0  0
 13 19  1  0  0  0  0
 15 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 21  2  0  0  0  0
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M  END
>  <Mol_ID> (558)
8718

>  <Formula> (558)
C21H18N4OS

>  <MolWeight> (558)
374.45882

>  <Cat> (558)
S8224

>  <Name> (558)
PF-3644022

>  <Synonyms> (558)
N/A

>  <Target> (558)
MAPKAPK2,TNF-alpha

>  <Form> (558)
Free base

>  <CAS> (558)
1276121-88-0

>  <URL> (558)
http://www.selleckchem.com/products/pf-3644022.html

$$$$

csChFnd80/04092414142D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (559)
8723

>  <Formula> (559)
C32H32F3N3O2

>  <MolWeight> (559)
547.6105896

>  <Cat> (559)
S8431

>  <Name> (559)
SPD304

>  <Target> (559)
TNF-alpha

>  <Form> (559)
Free base

>  <CAS> (559)
869998-49-2

>  <URL> (559)
http://www.selleckchem.com/products/spd304.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (560)
8737

>  <Formula> (560)
C47H57ClFN7O8S

>  <MolWeight> (560)
934.5139832

>  <Cat> (560)
S0070

>  <Name> (560)
Gefitinib-based PROTAC 3

>  <Synonyms> (560)
N/A

>  <Target> (560)
EGFR,PROTAC

>  <Form> (560)
Free base

>  <CAS> (560)
2230821-27-7

>  <URL> (560)
http://www.selleckchem.com/products/gefitinib-based-protac-3.html

$$$$

csChFnd80/04092414142D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (561)
8757

>  <Formula> (561)
C21H18ClFN4O4

>  <MolWeight> (561)
444.8434232

>  <Cat> (561)
S0437

>  <Name> (561)
SAR-20347

>  <Synonyms> (561)
N/A

>  <Target> (561)
IFN,Interleukins,JAK

>  <Form> (561)
Free base

>  <CAS> (561)
1450881-55-6

>  <URL> (561)
http://www.selleckchem.com/products/sar-20347.html

$$$$

csChFnd80/04092414142D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (562)
8761

>  <Formula> (562)
C23H27FN4O4

>  <MolWeight> (562)
442.4832832

>  <Cat> (562)
S0504

>  <Name> (562)
SU14813

>  <Synonyms> (562)
SU 014813

>  <Target> (562)
c-Kit,PDGFR,VEGFR

>  <Form> (562)
Free base

>  <CAS> (562)
627908-92-3

>  <URL> (562)
http://www.selleckchem.com/products/su14813.html

$$$$

csChFnd80/04092414142D

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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (563)
8775

>  <Formula> (563)
C27H29N5O

>  <MolWeight> (563)
439.55206

>  <Cat> (563)
S1034

>  <Name> (563)
NVP-AEW541

>  <Synonyms> (563)
AEW541

>  <Target> (563)
IGF-1R

>  <Form> (563)
Free base

>  <CAS> (563)
475489-16-8

>  <URL> (563)
http://www.selleckchem.com/products/NVP-AEW541.html

$$$$

csChFnd80/04092414142D

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>  <Mol_ID> (564)
8781

>  <Formula> (564)
C32H44F3N5O7

>  <MolWeight> (564)
667.7162696

>  <Cat> (564)
S2004

>  <Name> (564)
Vicriviroc Malate

>  <Synonyms> (564)
SCH 417690 (SCH-D) Malate

>  <Target> (564)
CCR

>  <Form> (564)
Malate

>  <CAS> (564)
541503-81-5

>  <URL> (564)
http://www.selleckchem.com/products/Vicriviroc-Malate.html

$$$$

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M  END
>  <Mol_ID> (565)
8782

>  <Formula> (565)
C26H22FN7O

>  <MolWeight> (565)
467.4975832

>  <Cat> (565)
S2211

>  <Name> (565)
AG-13958

>  <Synonyms> (565)
AG-013958

>  <Target> (565)
VEGFR

>  <Form> (565)
Free base

>  <CAS> (565)
319460-94-1

>  <URL> (565)
http://www.selleckchem.com/products/ag-13958.html

$$$$

csChFnd80/04092414142D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (566)
8786

>  <Formula> (566)
C27H28ClFN6O

>  <MolWeight> (566)
507.0022232

>  <Cat> (566)
S2733

>  <Name> (566)
AV-412 free base

>  <Synonyms> (566)
MP-412 free base

>  <Target> (566)
EGFR

>  <Form> (566)
Free base

>  <CAS> (566)
451492-95-8

>  <URL> (566)
http://www.selleckchem.com/products/av-412-free-base.html

$$$$

csChFnd80/04092414142D

 48 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (567)
8798

>  <Formula> (567)
C32H42F3N5O6

>  <MolWeight> (567)
649.7009896

>  <Cat> (567)
S3494

>  <Name> (567)
Vicriviroc maleate

>  <Synonyms> (567)
SCH-417690 maleate, SCH-D maleate

>  <Target> (567)
CCR,HIV Protease

>  <Form> (567)
Maleate

>  <CAS> (567)
599179-03-0

>  <URL> (567)
http://www.selleckchem.com/products/vicriviroc-maleate.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (568)
8802

>  <Formula> (568)
C23H27FN6O3

>  <MolWeight> (568)
454.4972832

>  <Cat> (568)
S3523

>  <Name> (568)
AZD7507

>  <Target> (568)
CSF-1R

>  <Form> (568)
Free base

>  <CAS> (568)
1041852-85-0

>  <URL> (568)
http://www.selleckchem.com/products/azd7507.html

$$$$

csChFnd80/04092414142D

 55 55  0  0  0  0  0  0  0  0999 V2000
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 34 35  1  0  0  0  0
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 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> (569)
8814

>  <Formula> (569)
C30H41F3N8O11S3

>  <MolWeight> (569)
842.8837496

>  <Cat> (569)
S5984

>  <Name> (569)
AST5902  trimesylate

>  <Synonyms> (569)
N/A

>  <Target> (569)
Others

>  <Form> (569)
Trimesylate

>  <CAS> (569)
2412155-74-7

>  <URL> (569)
http://www.selleckchem.com/products/ast5902.html

$$$$

csChFnd80/04092414142D

 41 44  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.7976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
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 18 19  2  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 23  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  3  0  0  0  0
 30 31  1  0  0  0  0
 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
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 35  1  0  0  0  0
M  END
>  <Mol_ID> (570)
8840

>  <Formula> (570)
C30H28Cl2FN5O3

>  <MolWeight> (570)
596.4794232

>  <Cat> (570)
S6897

>  <Name> (570)
Epertinib hydrochloride

>  <Synonyms> (570)
Epertinib HCl, S-222611 hydrochloride, S-222611 HCl

>  <Target> (570)
EGFR,HER2

>  <Form> (570)
Hydrochloride

>  <CAS> (570)
2071195-74-7

>  <URL> (570)
http://www.selleckchem.com/products/epertinib-hydrochloride.html

$$$$

csChFnd80/04092414142D

 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
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    1.0905    4.2461    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
  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> (571)
8854

>  <Formula> (571)
C20H21FN6O

>  <MolWeight> (571)
380.4187432

>  <Cat> (571)
S8636

>  <Name> (571)
Selitrectinib (LOXO-195)

>  <Synonyms> (571)
BAY 2731954

>  <Target> (571)
Trk receptor

>  <Form> (571)
Free base

>  <CAS> (571)
2097002-61-2

>  <URL> (571)
http://www.selleckchem.com/products/loxo-195.html

$$$$

csChFnd80/04092414142D

 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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   10.0048   13.6669    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
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 11  7  1  0  0  0  0
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  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 16 17  2  0  0  0  0
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 30 25  1  0  0  0  0
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 27 39  1  0  0  0  0
M  END
>  <Mol_ID> (572)
8859

>  <Formula> (572)
C27H32FN9O2

>  <MolWeight> (572)
533.6004832

>  <Cat> (572)
S8716

>  <Name> (572)
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>  <Synonyms> (572)
CS 3009, Gavreto

>  <Target> (572)
c-RET

>  <Form> (572)
Free base

>  <CAS> (572)
2097132-94-8

>  <URL> (572)
http://www.selleckchem.com/products/blu-667.html

$$$$

csChFnd80/04092414142D

 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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 12 13  1  0  0  0  0
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M  END
>  <Mol_ID> (573)
8876

>  <Formula> (573)
C17H18N4O3

>  <MolWeight> (573)
326.34982

>  <Cat> (573)
S8869

>  <Name> (573)
UNBS5162

>  <Synonyms> (573)
N/A

>  <Target> (573)
CXCR

>  <Form> (573)
Free base

>  <CAS> (573)
956590-23-1

>  <URL> (573)
http://www.selleckchem.com/products/unbs5162.html

$$$$

csChFnd80/04092414142D

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 30 40  1  0  0  0  0
M  END
>  <Mol_ID> (574)
8883

>  <Formula> (574)
C30H38N8O2

>  <MolWeight> (574)
542.67512

>  <Cat> (574)
S8921

>  <Name> (574)
BI-4020

>  <Synonyms> (574)
N/A

>  <Target> (574)
EGFR

>  <Form> (574)
Free base

>  <CAS> (574)
2664214-60-0

>  <URL> (574)
http://www.selleckchem.com/products/bi-4020.html

$$$$

csChFnd80/04092414142D

 37 37  0  0  0  0  0  0  0  0999 V2000
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M  END
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8913

>  <Formula> (575)
C24H33ClN4O8

>  <MolWeight> (575)
540.99382

>  <Cat> (575)
S9727

>  <Name> (575)
Ac-YVAD-cmk

>  <Synonyms> (575)
Caspase-1 Inhibitor II

>  <Target> (575)
Interleukins

>  <Form> (575)
Free base

>  <CAS> (575)
178603-78-6

>  <URL> (575)
http://www.selleckchem.com/products/ac-yvad-cmk.html

$$$$

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8938

>  <Formula> (576)
C29H25FN4O5

>  <MolWeight> (576)
528.5310032

>  <Cat> (576)
E0142

>  <Name> (576)
XL092

>  <Synonyms> (576)
JUN04542

>  <Target> (576)
Axl,c-Met,Mertk,VEGFR

>  <Form> (576)
Free base

>  <CAS> (576)
2367004-54-2

>  <URL> (576)
http://www.selleckchem.com/products/xl092.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (577)
8954

>  <Formula> (577)
C33H38N8O4S

>  <MolWeight> (577)
642.77102

>  <Cat> (577)
E0499

>  <Name> (577)
4SC-203

>  <Synonyms> (577)
SC 71710

>  <Target> (577)
VEGFR

>  <Form> (577)
Free base

>  <CAS> (577)
895533-09-2

>  <URL> (577)
http://www.selleckchem.com/products/4sc-203.html

$$$$

csChFnd80/04092414142D

 33 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (578)
8955

>  <Formula> (578)
C27H21N3O3

>  <MolWeight> (578)
435.47394

>  <Cat> (578)
E0616

>  <Name> (578)
Chiauranib

>  <Synonyms> (578)
CS2164

>  <Target> (578)
Aurora Kinase,c-Kit,CSF-1R,PDGFR,VEGFR

>  <Form> (578)
Free base

>  <CAS> (578)
1256349-48-0

>  <URL> (578)
http://www.selleckchem.com/products/chiauranib.html

$$$$

csChFnd80/04092414142D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (579)
8966

>  <Formula> (579)
C25H20Cl2N2O3

>  <MolWeight> (579)
467.3439

>  <Cat> (579)
E1078

>  <Name> (579)
Emvododstat (PTC299)

>  <Target> (579)
Dehydrogenase,VEGFR

>  <Form> (579)
Free base

>  <CAS> (579)
1256565-36-2

>  <URL> (579)
http://www.selleckchem.com/products/emvododstat-ptc299.html

$$$$

csChFnd80/04092414142D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (580)
8997

>  <Formula> (580)
C21H16ClF3N4

>  <MolWeight> (580)
416.8267496

>  <Cat> (580)
E2387

>  <Name> (580)
FLT3-IN-2

>  <Target> (580)
FLT3

>  <Form> (580)
Free base

>  <CAS> (580)
923562-23-6

>  <URL> (580)
http://www.selleckchem.com/products/flt3-in-2.html

$$$$

csChFnd80/04092414142D

 34 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (581)
8998

>  <Formula> (581)
C28H23N3O2S

>  <MolWeight> (581)
465.56612

>  <Cat> (581)
E2394

>  <Name> (581)
TGF¦ÂRI-IN-3

>  <Target> (581)
TGF-beta/Smad

>  <Form> (581)
Free base

>  <CAS> (581)
2763602-67-9

>  <URL> (581)
http://www.selleckchem.com/products/tgfbetari-in-3.html

$$$$

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 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
 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
>  <Mol_ID> (582)
8999

>  <Formula> (582)
C34H43N7O2

>  <MolWeight> (582)
581.75092

>  <Cat> (582)
E2397

>  <Name> (582)
hVEGF-IN-1

>  <Target> (582)
VEGFR

>  <Form> (582)
Free base

>  <CAS> (582)
1637443-98-1

>  <URL> (582)
http://www.selleckchem.com/products/hvegf-in-1.html

$$$$

csChFnd80/04092414142D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  1  6  2  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> (583)
9001

>  <Formula> (583)
C18H19ClFN7

>  <MolWeight> (583)
387.8417632

>  <Cat> (583)
E2399

>  <Name> (583)
Falnidamol

>  <Synonyms> (583)
BIBX1382

>  <Target> (583)
EGFR,p38 MAPK

>  <Form> (583)
Free base

>  <CAS> (583)
196612-93-8

>  <URL> (583)
http://www.selleckchem.com/products/falnidamol.html

$$$$

csChFnd80/04092414142D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 30 32  2  0  0  0  0
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M  END
>  <Mol_ID> (584)
9007

>  <Formula> (584)
C23H25N7O2

>  <MolWeight> (584)
431.4903

>  <Cat> (584)
E2629

>  <Name> (584)
Vimseltinib

>  <Synonyms> (584)
DCC-3014

>  <Target> (584)
c-Kit,CSF-1R

>  <Form> (584)
Free base

>  <CAS> (584)
1628606-05-2

>  <URL> (584)
http://www.selleckchem.com/products/vimseltinib.html

$$$$

csChFnd80/04092414142D

 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
  1  5  1  0  0  0  0
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  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (585)
9010

>  <Formula> (585)
C9H8N2S

>  <MolWeight> (585)
176.23822

>  <Cat> (585)
E2655

>  <Name> (585)
Terevalefim

>  <Synonyms> (585)
ANG-3777

>  <Target> (585)
c-Met

>  <Form> (585)
Free base

>  <CAS> (585)
1070881-42-3

>  <URL> (585)
http://www.selleckchem.com/products/terevalefim.html

$$$$

csChFnd80/04092414142D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (586)
9011

>  <Formula> (586)
C18H14ClFN4O

>  <MolWeight> (586)
356.7813632

>  <Cat> (586)
E2656

>  <Name> (586)
R1530

>  <Target> (586)
FGFR,VEGFR

>  <Form> (586)
Free base

>  <CAS> (586)
882531-87-5

>  <URL> (586)
http://www.selleckchem.com/products/r1530.html

$$$$

csChFnd80/04092414142D

 35 38  0  0  0  0  0  0  0  0999 V2000
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    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
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 29 32  1  0  0  0  0
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 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> (587)
9024

>  <Formula> (587)
C23H28BrN7O3S

>  <MolWeight> (587)
562.48252

>  <Cat> (587)
E2836

>  <Name> (587)
ALK inhibitor 1

>  <Synonyms> (587)
compound 17

>  <Target> (587)
ALK,FAK,Serine/threonin kinase

>  <Form> (587)
Free base

>  <CAS> (587)
761436-81-1

>  <URL> (587)
http://www.selleckchem.com/products/alk-inhibitor-1.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (588)
9048

>  <Formula> (588)
C62H88N14O10

>  <MolWeight> (588)
1189.44992

>  <Cat> (588)
S8505

>  <Name> (588)
LY2510924

>  <Synonyms> (588)
N/A

>  <Target> (588)
CXCR

>  <Form> (588)
Free base

>  <CAS> (588)
1088715-84-7

>  <URL> (588)
http://www.selleckchem.com/products/ly2510924.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (589)
9052

>  <Formula> (589)
C84H118N24O21S2

>  <MolWeight> (589)
1864.11392

>  <Cat> (589)
S9725

>  <Name> (589)
Balixafortide (POL6326)

>  <Synonyms> (589)
N/A

>  <Target> (589)
CXCR

>  <Form> (589)
Free base

>  <CAS> (589)
1051366-32-5

>  <URL> (589)
http://www.selleckchem.com/products/balixafortide-pol6326.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (590)
9059

>  <Formula> (590)
C32H36N8O2

>  <MolWeight> (590)
564.68064

>  <Cat> (590)
S3570

>  <Name> (590)
ARRY-382

>  <Synonyms> (590)
N/A

>  <Target> (590)
CSF-1R

>  <Form> (590)
Free base

>  <CAS> (590)
1313407-95-2

>  <URL> (590)
http://www.selleckchem.com/products/arry-382.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (591)
9063

>  <Formula> (591)
C21H21FN6O3

>  <MolWeight> (591)
424.4282432

>  <Cat> (591)
S9826

>  <Name> (591)
TPX-0046

>  <Synonyms> (591)
N/A

>  <Target> (591)
c-RET,Src

>  <Form> (591)
Free base

>  <CAS> (591)
2359650-19-2

>  <URL> (591)
http://www.selleckchem.com/products/tpx-0046.html

$$$$

csChFnd80/04092414142D

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M  END
>  <Mol_ID> (592)
9109

>  <Formula> (592)
C20H16N4

>  <MolWeight> (592)
312.36784

>  <Cat> (592)
E2807

>  <Name> (592)
WAY-641966

>  <Target> (592)
TGF-¦Â,p38-¦Á

>  <Form> (592)
Free base

>  <CAS> (592)
259870-32-1

>  <URL> (592)
https://www.selleckchem.com/products/way-641966.html

$$$$
