untitled.cdx
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PDGFR, VEGFR

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Free Base

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796967-16-3

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

$$$$
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>  <Name> (2)
Bosutinib (SKI-606)

>  <Synonyms> (2)
N/A 

>  <Target> (2)
Src

>  <Form> (2)
Free Base

>  <CAS> (2)
380843-75-4

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

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (3)
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>  <Target> (3)
EGFR, HER2

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Ditosylat

>  <CAS> (3)
388082-77-7

>  <URL> (3)
http://www.selleckchem.com/products/Lapatinib-Ditosylate.html

$$$$
untitled.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (4)
22

>  <Formula> (4)
C21H24ClN7O2S

>  <MolWeight> (4)
473.97896

>  <Cat> (4)
S1035

>  <Name> (4)
Pazopanib HCl

>  <Synonyms> (4)
GW786034

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

>  <Form> (4)
Hydrochloride

>  <CAS> (4)
635702-64-6

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

$$$$
untitled.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (5)
42

>  <Formula> (5)
C22H16N4O3

>  <MolWeight> (5)
384.38744

>  <Cat> (5)
S1067

>  <Name> (5)
SB 431542

>  <Synonyms> (5)
N/A

>  <Target> (5)
TGF-beta/Smad

>  <Form> (5)
Free Base

>  <CAS> (5)
301836-41-9

>  <URL> (5)
http://www.selleckchem.com/products/SB-431542.html

$$$$
AG-490.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (6)
87

>  <Formula> (6)
C17H14N2O3

>  <MolWeight> (6)
294.30466

>  <Cat> (6)
S1143

>  <Name> (6)
AG-490 (Tyrphostin B42)

>  <Synonyms> (6)
N/A

>  <Target> (6)
JAK, EGFR

>  <Form> (6)
Free Base

>  <CAS> (6)
133550-30-8 

>  <URL> (6)
http://www.selleckchem.com/products/AG-490.html

$$$$
S31-201.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (7)
95

>  <Formula> (7)
C16H15NO7S

>  <MolWeight> (7)
365.3578

>  <Cat> (7)
S1155

>  <Name> (7)
NSC 74859 (S3I-201)

>  <Synonyms> (7)
N/A 

>  <Target> (7)
STAT

>  <Form> (7)
Free Base

>  <CAS> (7)
501919-59-1

>  <URL> (7)
http://www.selleckchem.com/products/S31-201.html

$$$$
CP-724,714.cdx
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M  END
>  <Mol_ID> (8)
98

>  <Formula> (8)
C27H27N5O3

>  <MolWeight> (8)
469.53498

>  <Cat> (8)
S1167

>  <Name> (8)
CP-724714

>  <Synonyms> (8)
N/A

>  <Target> (8)
EGFR, HER2

>  <Form> (8)
Free Base

>  <CAS> (8)
537705-08-1

>  <URL> (8)
http://www.selleckchem.com/products/CP-724714.html

$$$$
ENMD-2076.cdx
csChFnd80/06042111452D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (9)
110

>  <Formula> (9)
C21H25N7

>  <MolWeight> (9)
375.4701

>  <Cat> (9)
S1181

>  <Name> (9)
ENMD-2076

>  <Synonyms> (9)
N/A 

>  <Target> (9)
Flt, Aurora Kinase, VEGFR

>  <Form> (9)
Tartaric Acid 

>  <CAS> (9)
934353-76-1

>  <URL> (9)
http://www.selleckchem.com/products/ENMD-2076.html

$$$$
Aprepitant.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (10)
116

>  <Formula> (10)
C23H21F7N4O3

>  <MolWeight> (10)
534.4266624

>  <Cat> (10)
S1189

>  <Name> (10)
Aprepitant (MK-0869)

>  <Synonyms> (10)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (10)
Substance P

>  <Form> (10)
Free Base

>  <CAS> (10)
170729-80-3

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

$$$$
S119401 CUDC-101.cdx
csChFnd80/06042111452D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (11)
120

>  <Formula> (11)
C24H26N4O4

>  <MolWeight> (11)
434.48764

>  <Cat> (11)
S1194

>  <Name> (11)
CUDC-101

>  <Synonyms> (11)
N/A

>  <Target> (11)
HDAC, EGFR, HER2

>  <Form> (11)
Free Base

>  <CAS> (11)
1012054-59-9

>  <URL> (11)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
OSI-930.cdx
csChFnd80/06042111452D

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TGF-beta/Smad

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356559-20-1

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EGFR, Flt, VEGFR, HER2

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497839-62-0

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PDE

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479-18-5

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DMXAA.cdx
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VDA

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117570-53-3

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    9.1374    4.0667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9903    3.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9026    2.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7698    3.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2886    1.3985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.9778    2.1336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1873    0.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11  2  1  0  0  0  0
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 16  3  1  0  0  0  0
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  2 19  1  6  0  0  0
 18 19  1  0  0  0  0
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 11 21  1  1  0  0  0
 16 22  1  1  0  0  0
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 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (17)
391

>  <Formula> (17)
C19H28O8

>  <MolWeight> (17)
384.42082

>  <Cat> (17)
S2265

>  <Name> (17)
Artesunate

>  <Synonyms> (17)
N/A

>  <Target> (17)
STAT

>  <Form> (17)
Free Base

>  <CAS> (17)
88495-63-0

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

$$$$
AMINOPHYLLINE (aminophylline).cdx
csChFnd80/06042111452D

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.7540    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1747    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3829    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    7.3257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    9.4230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    7.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    6.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    9.1559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    8.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0102    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6805   -0.0971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2210   -1.7623    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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
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 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
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 13  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  2  0  0  0  0
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 10 17  2  0  0  0  0
 18 19  1  0  0  0  0
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M  END
>  <Mol_ID> (18)
406

>  <Formula> (18)
C16H24N10O4

>  <MolWeight> (18)
420.42636

>  <Cat> (18)
S1673

>  <Name> (18)
Aminophylline (Truphylline)

>  <Synonyms> (18)
Somopphyllin, Aminocadol, Phyllocontin 

>  <Target> (18)
PDE

>  <Form> (18)
Ethylenediamine

>  <CAS> (18)
317-34-0 

>  <URL> (18)
http://www.selleckchem.com/products/Aminophylline(Truphylline).html

$$$$
untitled.cdx
csChFnd80/06042111452D

 37 41  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249   11.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0625   12.8252    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0395    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4493    2.3900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   11.1774    3.0717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0454    1.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3583    3.8580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0454    4.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6001    5.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2324    5.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5224    6.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  7  1  0  0  0  0
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 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
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 19 13  1  0  0  0  0
 17 20  1  0  0  0  0
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 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (19)
497

>  <Formula> (19)
C29H41F2N5O

>  <MolWeight> (19)
513.6655464

>  <Cat> (19)
S2003

>  <Name> (19)
Maraviroc

>  <Synonyms> (19)
UK-427857, Celsentri 

>  <Target> (19)
CCR5 

>  <Form> (19)
Free Base

>  <CAS> (19)
376348-65-1

>  <URL> (19)
http://www.selleckchem.com/products/Maraviroc.html

$$$$
Arry-380.cdx
csChFnd80/06042111452D

 41 46  0  0  0  0  0  0  0  0999 V2000
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937265-83-3

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N/A

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TGF-beta/Smad

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Free Base

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452342-67-5

>  <URL> (21)
http://www.selleckchem.com/products/gw788388.html

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EGFR, HER2

>  <Form> (24)
Free Base

>  <CAS> (24)
871026-44-7

>  <URL> (24)
http://www.selleckchem.com/products/tak-285.html

$$$$
Istradefylline (KW-6002).cdx
csChFnd80/06042111452D

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>  <Mol_ID> (25)
591

>  <Formula> (25)
C20H24N4O4

>  <MolWeight> (25)
384.42896

>  <Cat> (25)
S2790

>  <Name> (25)
Istradefylline (KW-6002)

>  <Synonyms> (25)
N/A

>  <Target> (25)
Adenosine Receptor

>  <Form> (25)
Free Base

>  <CAS> (25)
155270-99-8

>  <URL> (25)
http://www.selleckchem.com/products/istradefylline-kw-6002.html

$$$$
WP1066.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (26)
593

>  <Formula> (26)
C17H14BrN3O

>  <MolWeight> (26)
356.21656

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S2796

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WP1066

>  <Synonyms> (26)
N/A

>  <Target> (26)
JAK 

>  <Form> (26)
Free Base

>  <CAS> (26)
857064-38-1

>  <URL> (26)
http://www.selleckchem.com/products/wp1066.html

$$$$
Bindarit.cdx
csChFnd80/06042111452D

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607

>  <Formula> (27)
C19H20N2O3

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324.3737

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Bindarit

>  <Synonyms> (27)
N/A 

>  <Target> (27)
Others

>  <Form> (27)
Free Base

>  <CAS> (27)
130641-38-2

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

$$$$
AG-879.cdx
csChFnd80/06042111452D

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616

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C18H24N2OS

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>  <Cat> (28)
S2816

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Tyrphostin AG 879 (AG 879)

>  <Synonyms> (28)
N/A 

>  <Target> (28)
HER2

>  <Form> (28)
Free Base

>  <CAS> (28)
148741-30-4

>  <URL> (28)
http://www.selleckchem.com/products/tyrphostin-ag-879-ag-879.html

$$$$
Palmatine hydrochloride.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (29)
630

>  <Formula> (29)
C21H22ClNO4

>  <MolWeight> (29)
387.85668

>  <Cat> (29)
S2397

>  <Name> (29)
Palmatine chloride

>  <Synonyms> (29)
Palmatine hydrochloride

>  <Target> (29)
Others

>  <Form> (29)
Chloride

>  <CAS> (29)
10605-02-4

>  <URL> (29)
http://www.selleckchem.com/products/Palmatine-chloride.html

$$$$
AZD8931.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (30)
672

>  <Formula> (30)
C23H25ClFN5O3

>  <MolWeight> (30)
473.9277032

>  <Cat> (30)
S2192

>  <Name> (30)
AZD8931

>  <Synonyms> (30)
N/A

>  <Target> (30)
EGFR, HER2

>  <Form> (30)
Free Base

>  <CAS> (30)
848942-61-0

>  <URL> (30)
http://www.selleckchem.com/products/AZD8931.html

$$$$
Mubritinib.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (31)
685

>  <Formula> (31)
C25H23F3N4O2

>  <MolWeight> (31)
468.4709296

>  <Cat> (31)
S2216

>  <Name> (31)
Mubritinib (TAK 165)

>  <Synonyms> (31)
TAK 165, TAK165

>  <Target> (31)
HER2

>  <Form> (31)
Free Base

>  <CAS> (31)
366017-09-6

>  <URL> (31)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (32)
690

>  <Formula> (32)
C22H18O11

>  <MolWeight> (32)
458.37172

>  <Cat> (32)
S2250

>  <Name> (32)
(-)-Epigallocatechin gallate

>  <Synonyms> (32)
EGCG

>  <Target> (32)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (32)
Free Base

>  <CAS> (32)
989-51-5

>  <URL> (32)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Cryptotanshinone.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (33)
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STAT

>  <Form> (33)
Free Base

>  <CAS> (33)
35825-57-1

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

$$$$
Hesperetin.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (34)
731

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C16H14O6

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Hesperetin

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N/A

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Histamine Receptor

>  <Form> (34)
Free Base

>  <CAS> (34)
520-33-2

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

$$$$
Nobiletin.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (35)
750

>  <Formula> (35)
C21H22O8

>  <MolWeight> (35)
402.39458

>  <Cat> (35)
S2333

>  <Name> (35)
Nobiletin (Hexamethoxyflavone)

>  <Synonyms> (35)
N/A 

>  <Target> (35)
MMP

>  <Form> (35)
Free Base

>  <CAS> (35)
478-01-3

>  <URL> (35)
http://www.selleckchem.com/products/Nobiletin(Hexamethoxyflavone).html

$$$$
LY2157299.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (36)
871

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C22H19N5O

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N/A 

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

>  <Form> (36)
Free Base

>  <CAS> (36)
700874-72-2

>  <URL> (36)
http://www.selleckchem.com/products/ly2157299.html

$$$$
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C21H27N7O3

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>  <Target> (37)
Akt

>  <Form> (37)
Free Base

>  <CAS> (37)
937174-76-0

>  <URL> (37)
http://www.selleckchem.com/products/GSK690693.html

$$$$
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>  <Mol_ID> (38)
946

>  <Formula> (38)
C24H25ClFN5O2

>  <MolWeight> (38)
469.9390032

>  <Cat> (38)
S2727

>  <Name> (38)
Dacomitinib (PF299804, PF-00299804)

>  <Synonyms> (38)
N/A

>  <Target> (38)
EGFR

>  <Form> (38)
Free Base

>  <CAS> (38)
1110813-31-4

>  <URL> (38)
http://www.selleckchem.com/products/pf299804.html

$$$$
TPCA-1.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (39)
1039

>  <Formula> (39)
C12H10FN3O2S

>  <MolWeight> (39)
279.2901032

>  <Cat> (39)
S2824

>  <Name> (39)
TPCA-1

>  <Synonyms> (39)
N/A 

>  <Target> (39)
IKK

>  <Form> (39)
Free Base

>  <CAS> (39)
507475-17-4

>  <URL> (39)
http://www.selleckchem.com/products/tpca-1.html

$$$$
WHI-P154.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (40)
1090

>  <Formula> (40)
C16H14BrN3O3

>  <MolWeight> (40)
376.20466

>  <Cat> (40)
S2867

>  <Name> (40)
WHI-P154

>  <Synonyms> (40)
N/A

>  <Target> (40)
JAK, EGFR

>  <Form> (40)
Free Base

>  <CAS> (40)
211555-04-3

>  <URL> (40)
http://www.selleckchem.com/products/whi-p154.html

$$$$
Inosine.cdx
csChFnd80/06042111452D

 19 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (41)
1099

>  <Formula> (41)
C10H12N4O5

>  <MolWeight> (41)
268.22608

>  <Cat> (41)
S2442

>  <Name> (41)
Inosine

>  <Synonyms> (41)
N/A

>  <Target> (41)
Others

>  <Form> (41)
Free Base

>  <CAS> (41)
58-63-9

>  <URL> (41)
http://www.selleckchem.com/products/inosine.html

$$$$
Pirfenidone.cdx
csChFnd80/06042111452D

 14 15  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (42)
1126

>  <Formula> (42)
C12H11NO

>  <MolWeight> (42)
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>  <Cat> (42)
S2907

>  <Name> (42)
Pirfenidone

>  <Synonyms> (42)
N/A

>  <Target> (42)
TGF-beta/Smad

>  <Form> (42)
Free Base

>  <CAS> (42)
53179-13-8

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

$$$$
PF477736.cdx
csChFnd80/06042111452D

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Chk

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952021-60-2

>  <URL> (43)
http://www.selleckchem.com/products/pf-477736.html

$$$$
WZ 811.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (44)
1161

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C18H18N4

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CXCR

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55778-02-4

>  <URL> (44)
http://www.selleckchem.com/products/wz-811.html

$$$$
MICROSUL (sulfamethizole).cdx
csChFnd80/06042111452D

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>  <Mol_ID> (45)
1184

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C9H10N4O2S2

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Sulfamethizole (Proklar)

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Proklar

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Antifection

>  <Form> (45)
Free Base

>  <CAS> (45)
144-82-1

>  <URL> (45)
http://www.selleckchem.com/products/Sulfamethizole(Proklar).html

$$$$
Pazopanib.cdx
csChFnd80/06042111452D

 31 34  0  0  0  0  0  0  0  0999 V2000
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1233

>  <Formula> (46)
C21H23N7O2S

>  <MolWeight> (46)
437.51802

>  <Cat> (46)
S3012

>  <Name> (46)
Pazopanib

>  <Synonyms> (46)
N/A

>  <Target> (46)
VEGFR

>  <Form> (46)
Free Base

>  <CAS> (46)
444731-52-6

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

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/06042111452D

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>  <Mol_ID> (47)
1240

>  <Formula> (47)
C18H14N4O5S

>  <MolWeight> (47)
398.39256

>  <Cat> (47)
S1576

>  <Name> (47)
Sulfasalazine (Azulfidine)

>  <Synonyms> (47)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (47)
COX,NF-¦ÊB

>  <Form> (47)
Free Base

>  <CAS> (47)
599-79-1

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

$$$$
CGS-21680 hydrochloride.cdx
csChFnd80/06042111452D

 37 39  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (48)
1247

>  <Formula> (48)
C23H30ClN7O6

>  <MolWeight> (48)
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S2153

>  <Name> (48)
CGS 21680 HCl

>  <Synonyms> (48)
N/A

>  <Target> (48)
5-alpha Reductase

>  <Form> (48)
Hydrochloride

>  <CAS> (48)
124431-80-7

>  <URL> (48)
http://www.selleckchem.com/products/CGS-21680-hydrochloride.html

$$$$
Doxofylline.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (49)
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C11H14N4O4

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Doxofylline

>  <Synonyms> (49)
N/A

>  <Target> (49)
PDE

>  <Form> (49)
Free Base

>  <CAS> (49)
69975-86-6

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

$$$$
nifuroxazide.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (50)
1368

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C12H9N3O5

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>  <Name> (50)
Nifuroxazide

>  <Synonyms> (50)
N/A

>  <Target> (50)
STAT

>  <Form> (50)
Free Base

>  <CAS> (50)
965-52-6

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

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/06042111452D

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1451

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C11H12N4O3S

>  <MolWeight> (51)
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>  <Cat> (51)
S4250

>  <Name> (51)
Sulfamethoxypyridazine

>  <Synonyms> (51)
N/A

>  <Target> (51)
Antifection

>  <Form> (51)
Free Base

>  <CAS> (51)
80-35-3

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

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/06042111452D

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>  <Mol_ID> (52)
1527

>  <Formula> (52)
C24H25ClFN5O3

>  <MolWeight> (52)
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>  <Cat> (52)
S1011

>  <Name> (52)
Afatinib (BIBW2992)

>  <Synonyms> (52)
N/A

>  <Target> (52)
EGFR

>  <Form> (52)
Free Base

>  <CAS> (52)
439081-18-2

>  <URL> (52)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
PF-2341066.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (53)
1549

>  <Formula> (53)
C21H22Cl2FN5O

>  <MolWeight> (53)
450.3366832

>  <Cat> (53)
S1068

>  <Name> (53)
Crizotinib (PF-02341066)

>  <Synonyms> (53)
N/A 

>  <Target> (53)
c-Met, ALK

>  <Form> (53)
Free Base

>  <CAS> (53)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (53)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
BMS-599626 (AC480).cdx
csChFnd80/06042111452D

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>  <Mol_ID> (54)
1559

>  <Formula> (54)
C27H27FN8O3

>  <MolWeight> (54)
530.5534832

>  <Cat> (54)
S1056

>  <Name> (54)
AC480 (BMS-599626)

>  <Synonyms> (54)
N/A

>  <Target> (54)
HER2

>  <Form> (54)
Free Base

>  <CAS> (54)
714971-09-2

>  <URL> (54)
http://www.selleckchem.com/products/BMS-599626.html

$$$$
S4719 Kynurenic acid.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (55)
1702

>  <Formula> (55)
C10H7NO3

>  <MolWeight> (55)
189.16748

>  <Cat> (55)
S4719

>  <Name> (55)
Kynurenic acid

>  <Synonyms> (55)
Quinurenic acid|Kynurenate

>  <Target> (55)
Others

>  <Form> (55)
Free Base

>  <CAS> (55)
492-27-3

>  <URL> (55)
http://www.selleckchem.com/products/kynurenic-acid.html

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (56)
1839

>  <Formula> (56)
C17H17N3Na2O8

>  <MolWeight> (56)
437.31172

>  <Cat> (56)
S3745

>  <Name> (56)
Balsalazide disodium

>  <Synonyms> (56)
N/A

>  <Target> (56)
Immunology & Inflammation related

>  <Form> (56)
disodium salt dihydrate

>  <CAS> (56)
150399-21-6

>  <URL> (56)
http://www.selleckchem.com/products/balsalazide-disodium.html

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (57)
1882

>  <Formula> (57)
C18H22O4

>  <MolWeight> (57)
302.36488

>  <Cat> (57)
S3984

>  <Name> (57)
Nordihydroguaiaretic acid

>  <Synonyms> (57)
N/A

>  <Target> (57)
lipoxygenase

>  <Form> (57)
free base

>  <CAS> (57)
500-38-9

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

$$$$
S3840 Baohuoside I.cdx
csChFnd80/06042111452D

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    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 37  1  6  0  0  0
M  END
>  <Mol_ID> (58)
1906

>  <Formula> (58)
C27H30O10

>  <MolWeight> (58)
514.5211

>  <Cat> (58)
S3840

>  <Name> (58)
Baohuoside I

>  <Synonyms> (58)
Icariside II

>  <Target> (58)
ROS

>  <CAS> (58)
113558-15-9

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

$$$$
S3888 3,4`,5-Trimethoxy-trans-stilbene.cdx
csChFnd80/06042111452D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8487    4.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3323    6.3086    0.0000 C   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
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
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  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 16 18  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
M  END
>  <Mol_ID> (59)
1956

>  <Formula> (59)
C17H18O3

>  <MolWeight> (59)
270.32302

>  <Cat> (59)
S3888

>  <Name> (59)
3,4',5-Trimethoxy-trans-stilbene

>  <Synonyms> (59)
MR-3

>  <Target> (59)
Others

>  <Form> (59)
free base

>  <CAS> (59)
22255-22-7

>  <URL> (59)
http://www.selleckchem.com/products/3-4-5-trimethoxy-trans-stilbene.html

$$$$
S3804 Alpha-Mangostin.cdx
csChFnd80/06042111452D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
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  6 12  1  0  0  0  0
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  8 14  1  0  0  0  0
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 11 16  1  0  0  0  0
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 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 21  1  0  0  0  0
 21 25  1  0  0  0  0
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 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END
>  <Mol_ID> (60)
1971

>  <Formula> (60)
C24H26O6

>  <MolWeight> (60)
410.45964

>  <Cat> (60)
S3804

>  <Name> (60)
Alpha-Mangostin

>  <Synonyms> (60)
N/A

>  <Target> (60)
Others

>  <Form> (60)
free base

>  <CAS> (60)
1551491

>  <URL> (60)
http://www.selleckchem.com/products/alpha-mangostin.html

$$$$
LY2109761.cdx
csChFnd80/06042111452D

 33 38  0  0  0  0  0  0  0  0999 V2000
    4.1777    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
M  END
>  <Mol_ID> (61)
2001

>  <Formula> (61)
C26H27N5O2

>  <MolWeight> (61)
441.52488

>  <Cat> (61)
S2704

>  <Name> (61)
LY2109761

>  <Synonyms> (61)
N/A

>  <Target> (61)
TGF-beta/Smad

>  <Form> (61)
Free Base

>  <CAS> (61)
700874-71-1 

>  <URL> (61)
http://www.selleckchem.com/products/ly2109761.html

$$$$
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>  <Mol_ID> (62)
2003

>  <Formula> (62)
C28H62Cl8N8

>  <MolWeight> (62)
794.46948

>  <Cat> (62)
S3013

>  <Name> (62)
Plerixafor 8HCl (DB06809)

>  <Synonyms> (62)
AMD3100 

>  <Target> (62)
CXCR

>  <Form> (62)
Octahydrochloride 

>  <CAS> (62)
155148-31-5

>  <URL> (62)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

$$$$
LY364947.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (63)
2005

>  <Formula> (63)
C17H12N4

>  <MolWeight> (63)
272.30398

>  <Cat> (63)
S2805

>  <Name> (63)
LY364947

>  <Synonyms> (63)
N/A

>  <Target> (63)
TGF-beta/Smad

>  <Form> (63)
Free Base

>  <CAS> (63)
396129-53-6

>  <URL> (63)
http://www.selleckchem.com/products/ly364947.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (64)
2039

>  <Formula> (64)
C18H32ClN3O8P2

>  <MolWeight> (64)
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>  <Cat> (64)
S4157

>  <Name> (64)
Chloroquine Phosphate

>  <Synonyms> (64)
N/A

>  <Target> (64)
Others

>  <Form> (64)
Diphosphate

>  <CAS> (64)
50-63-5

>  <URL> (64)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (65)
2061

>  <Formula> (65)
C54H92O23

>  <MolWeight> (65)
1109.29448

>  <Cat> (65)
S3924

>  <Name> (65)
Ginsenoside Rb1

>  <Synonyms> (65)
Gypenoside ¢ó

>  <Target> (65)
Others

>  <Form> (65)
free base

>  <CAS> (65)
41753-43-9

>  <URL> (65)
http://www.selleckchem.com/products/ginsenoside-rb1.html

$$$$
S4785 Nicotinamide N-oxide.cdx
csChFnd80/06042111452D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (66)
2106

>  <Formula> (66)
C6H6N2O2

>  <MolWeight> (66)
138.12404

>  <Cat> (66)
S4785

>  <Name> (66)
Nicotinamide N-oxide

>  <Synonyms> (66)
Nicotinamide 1-oxide, 1-oxynicotinamide, 1-Oxy-nicotinamide

>  <Target> (66)
Others

>  <Form> (66)
free base

>  <CAS> (66)
1986-81-8

>  <URL> (66)
http://www.selleckchem.com/products/nicotinamide-n-oxide.html

$$$$
S3951 Tannic acid.cdx
csChFnd80/06042111452D

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    6.2835   21.8071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.4639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5056    7.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4080    6.0985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6023    8.5370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9430    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  1  0  0  0
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 63 73  1  0  0  0  0
 65 75  1  0  0  0  0
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 66 77  1  0  0  0  0
 66 78  2  0  0  0  0
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 72 83  1  0  0  0  0
 73 84  1  0  0  0  0
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 77 87  2  0  0  0  0
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 89100  2  0  0  0  0
 90101  1  0  0  0  0
 91102  1  0  0  0  0
 91103  1  0  0  0  0
 92104  1  0  0  0  0
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 93106  2  0  0  0  0
 95107  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> (67)
2135

>  <Formula> (67)
C76H52O46

>  <MolWeight> (67)
1701.19848

>  <Cat> (67)
S3951

>  <Name> (67)
Tannic acid

>  <Synonyms> (67)
Gallotannic acid

>  <Target> (67)
CXCR4 

>  <Form> (67)
free base

>  <CAS> (67)
1401-55-4

>  <URL> (67)
http://www.selleckchem.com/products/tannic-acid.html

$$$$
S3988 Theophylline-7-acetic acid.cdx
csChFnd80/06042111452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6380    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6409    2.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9686    3.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9733    1.6727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7939    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985    5.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7672    5.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044    1.3962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7062    4.5258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1971    6.8966    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  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 11  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (68)
2150

>  <Formula> (68)
C9H10N4O4

>  <MolWeight> (68)
238.2001

>  <Cat> (68)
S3988

>  <Name> (68)
Theophylline-7-acetic acid

>  <Synonyms> (68)
Acefylline, acetyloxytheophylline, Carboxymethyltheophylline

>  <Target> (68)
adenosine receptor

>  <Form> (68)
free base

>  <CAS> (68)
652-37-9

>  <URL> (68)
http://www.selleckchem.com/products/theophylline-7-acetic.html

$$$$
S4932 Proxyphylline.cdx
csChFnd80/06042111452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6401    3.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    3.9565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455    1.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910    1.6915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7905    2.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3608    5.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    5.5933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    2.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7265    5.6013    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    4.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    1.3825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7164    4.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0888    6.9536    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  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 11  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (69)
2194

>  <Formula> (69)
C10H14N4O3

>  <MolWeight> (69)
238.24316

>  <Cat> (69)
S4932

>  <Name> (69)
Proxyphylline

>  <Synonyms> (69)
Monophylline, Spasmolysin

>  <Target> (69)
Adenosine Receptor

>  <Form> (69)
free base

>  <CAS> (69)
603-00-9

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

$$$$
S3810 Scutellarin.cdx
csChFnd80/06042111452D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.5054    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5054    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    2.0260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    2.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    6.2883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    6.2372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    2.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3538    2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6314    2.7969    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5771    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6314    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4211    4.8930    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.7749    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2423    4.2112    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4211    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0509    2.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6124    7.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2423    7.0273    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
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 18 15  1  1  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  6  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  1  0  0  0
 25 30  1  1  0  0  0
 25 28  1  0  0  0  0
 28 31  1  6  0  0  0
 29 32  1  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (70)
2288

>  <Formula> (70)
C21H18O12

>  <MolWeight> (70)
462.36042

>  <Cat> (70)
S3810

>  <Name> (70)
Scutellarin

>  <Synonyms> (70)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (70)
Others

>  <Form> (70)
free base

>  <CAS> (70)
27740-01-8

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

$$$$
untitled.cdx
csChFnd80/06042111452D

 34 37  0  0  0  0  0  0  0  0999 V2000
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.0976    0.0000 C   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
   10.8909    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (71)
2289

>  <Formula> (71)
C24H25ClFN5O3

>  <MolWeight> (71)
485.9384032

>  <Cat> (71)
S1019

>  <Name> (71)
CI-1033 (Canertinib)

>  <Synonyms> (71)
PD-183805 

>  <Target> (71)
EGFR, HER2

>  <Form> (71)
Free Base

>  <CAS> (71)
267243-28-7

>  <URL> (71)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$

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>  <Mol_ID> (72)
2325

>  <Formula> (72)
C24H22F3N5O5

>  <MolWeight> (72)
517.4571896

>  <Cat> (72)
S8015

>  <Name> (72)
CEP-32496

>  <Synonyms> (72)
N/A

>  <Target> (72)
Raf

>  <Form> (72)
Free Base

>  <CAS> (72)
1188910-76-0

>  <URL> (72)
http://www.selleckchem.com/products/cep-32496.html

$$$$
Plerixafor.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (73)
2336

>  <Formula> (73)
C28H54N8

>  <MolWeight> (73)
502.78196

>  <Cat> (73)
S8030

>  <Name> (73)
Plerixafor

>  <Synonyms> (73)
N/A

>  <Target> (73)
CXCR

>  <Form> (73)
Free Base

>  <CAS> (73)
110078-46-1

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

$$$$
Necrostatin-1.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (74)
2342

>  <Formula> (74)
C13H13N3OS

>  <MolWeight> (74)
259.32682

>  <Cat> (74)
S8037

>  <Name> (74)
Necrostatin-1

>  <Synonyms> (74)
N/A

>  <Target> (74)
TNF-alpha

>  <Form> (74)
Free Base

>  <CAS> (74)
4311-88-0

>  <URL> (74)
http://www.selleckchem.com/products/necrostatin-1.html

$$$$
STATTIC.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (75)
2354

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CSF-1R

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Free Base

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870483-87-7

>  <URL> (76)
http://www.selleckchem.com/products/gw2580.html

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Butein.cdx
csChFnd80/06042111452D

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Butein

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EGFR

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487-52-5

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Imiquimod.cdx
csChFnd80/06042111452D

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Imiquimod

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Aldara

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Free Base

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99011-02-6

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

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Neratinib.cdx
csChFnd80/06042111452D

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698387-09-6

>  <URL> (79)
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$$$$
Ticlopidine hydrochloride.cdx
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S1984

>  <Name> (80)
Ticlopidine hydrochloride

>  <Synonyms> (80)
N/A

>  <Target> (80)
P2 Receptor

>  <Form> (80)
Hydrochloride

>  <CAS> (80)
53885-35-1

>  <URL> (80)
http://www.selleckchem.com/products/ticlopidine-hydrochloride.html

$$$$
NLG-919.cdx
csChFnd80/06042111452D

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C18H22N2O

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NLG919

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N/A

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IDO

>  <Form> (81)
Free Base

>  <CAS> (81)
1402836-58-1

>  <URL> (81)
http://www.selleckchem.com/products/nlg919.html

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2513

>  <Formula> (82)
C33H44F2N2O3

>  <MolWeight> (82)
554.7108664

>  <Cat> (82)
S7672

>  <Name> (82)
Omaveloxolone (RTA-408)

>  <Synonyms> (82)
N/A

>  <Target> (82)
NF-¦ÊB

>  <Form> (82)
Free Base

>  <CAS> (82)
1474034-05-3

>  <URL> (82)
http://www.selleckchem.com/products/omaveloxolone-rta-408.html

$$$$
Epacadostat (INCB024360).cdx
csChFnd80/06042111452D

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2515

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C11H13BrFN7O4S

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>  <Name> (83)
Epacadostat (INCB024360)

>  <Synonyms> (83)
N/A

>  <Target> (83)
IDO

>  <Form> (83)
Free Base

>  <CAS> (83)
1204669-58-8

>  <URL> (83)
http://www.selleckchem.com/products/epacadostat-incb024360.html

$$$$
FLLL32.cdx
csChFnd80/06042111452D

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>  <Name> (84)
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>  <Synonyms> (84)
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>  <Target> (84)
JAK

>  <Form> (84)
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>  <CAS> (84)
1226895-15-3

>  <URL> (84)
http://www.selleckchem.com/products/flll32.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/06042111452D

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>  <Mol_ID> (85)
2530

>  <Formula> (85)
C11H10N2O2S

>  <MolWeight> (85)
234.2743

>  <Cat> (85)
S7914

>  <Name> (85)
Isoxazole 9 (ISX-9)

>  <Synonyms> (85)
N/A

>  <Target> (85)
Others

>  <Form> (85)
Free Base

>  <CAS> (85)
832115-62-5

>  <URL> (85)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
PD-L1 inhibitor 2.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (86)
2536

>  <Formula> (86)
C25H29N3O3

>  <MolWeight> (86)
419.51606

>  <Cat> (86)
S7912

>  <Name> (86)
BMS202 (PD-1/PD-L1 inhibitor 2)

>  <Synonyms> (86)
N/A

>  <Target> (86)
PD-1/PD-L1

>  <Form> (86)
Free Base

>  <CAS> (86)
1675203-84-5

>  <URL> (86)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-2.html

$$$$
T0901317.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (87)
2619

>  <Formula> (87)
C17H12F9NO3S

>  <MolWeight> (87)
481.3327088

>  <Cat> (87)
S7076

>  <Name> (87)
T0901317

>  <Synonyms> (87)
N/A

>  <Target> (87)
Liver X Receptor

>  <Form> (87)
Free Base

>  <CAS> (87)
293754-55-9

>  <URL> (87)
http://www.selleckchem.com/products/t0901317.html

$$$$
SC144.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (88)
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>  <Formula> (88)
C16H11FN6O

>  <MolWeight> (88)
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>  <Cat> (88)
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>  <Name> (88)
SC144

>  <Synonyms> (88)
N/A

>  <Target> (88)
P-gp

>  <Form> (88)
Free Base

>  <CAS> (88)
895158-95-9

>  <URL> (88)
http://www.selleckchem.com/products/sc144.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/06042111452D

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TGF-beta/Smad

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>  <CAS> (89)
446859-33-2

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

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/06042111452D

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>  <Mol_ID> (90)
2649

>  <Formula> (90)
C24H27Cl2N5O

>  <MolWeight> (90)
472.41008

>  <Cat> (90)
S7306

>  <Name> (90)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (90)
BML-275,Compound C

>  <Target> (90)
AMPK

>  <Form> (90)
Dihydrochloride

>  <CAS> (90)
1219168-18-9

>  <URL> (90)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
pimozide.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (91)
2695

>  <Formula> (91)
C28H29F2N3O

>  <MolWeight> (91)
461.5461664

>  <Cat> (91)
S4358

>  <Name> (91)
pimozide

>  <Synonyms> (91)
N/A

>  <Target> (91)
Others

>  <Form> (91)
Free Base

>  <CAS> (91)
2062-78-4

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

$$$$
LM-3151 K 02288.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (92)
2751

>  <Formula> (92)
C20H20N2O4

>  <MolWeight> (92)
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>  <Cat> (92)
S7359

>  <Name> (92)
K02288

>  <Synonyms> (92)
N/A

>  <Target> (92)
TGF-beta/Smad

>  <Form> (92)
Free Base

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

>  <URL> (92)
http://www.selleckchem.com/products/k02288.html

$$$$
LDN193189 HCl.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (93)
2772

>  <Formula> (93)
C25H23ClN6

>  <MolWeight> (93)
442.94332

>  <Cat> (93)
S7507

>  <Name> (93)
LDN193189 HCl

>  <Synonyms> (93)
N/A

>  <Target> (93)
TGF-beta/Smad

>  <Form> (93)
Hydrochloride

>  <CAS> (93)
1062368-62-0

>  <URL> (93)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
ML347.cdx
csChFnd80/06042111452D

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1432597-26-6

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1352608-82-2

>  <URL> (100)
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4727-31-5

>  <URL> (101)
http://www.selleckchem.com/products/kartogenin.html

$$$$
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Hydroxychloroquine Sulfate

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>  <Target> (102)
Autophagy

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Sulfate

>  <CAS> (102)
747-36-4

>  <URL> (102)
http://www.selleckchem.com/products/hydroxychloroquine-sulfate.html

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csChFnd80/06042111452D

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SB225002

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N/A

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CXCR

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Free Base

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182498-32-4

>  <URL> (103)
http://www.selleckchem.com/products/sb225002.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/06042111452D

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>  <Name> (104)
Poziotinib (HM781-36B)

>  <Synonyms> (104)
NOV120101

>  <Target> (104)
EGFR

>  <Form> (104)
Free Base

>  <CAS> (104)
1092364-38-9

>  <URL> (104)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
SD208.cdx
csChFnd80/06042111452D

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TGF-beta/Smad

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627536-09-8

>  <URL> (105)
http://www.selleckchem.com/products/sd-208.html

$$$$
Indoximod.cdx
csChFnd80/06042111452D

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1-Methyl-D-tryptophan

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IDO

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110117-83-4

>  <URL> (106)
http://www.selleckchem.com/products/indoximod-nlg-8189.html

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CSF-1R

>  <Form> (107)
Free Base

>  <CAS> (107)
953769-46-5

>  <URL> (107)
http://www.selleckchem.com/products/blz945.html

$$$$
Afatinib dimaleate.cdx
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>  <Mol_ID> (108)
3023

>  <Formula> (108)
C32H33ClFN5O11

>  <MolWeight> (108)
718.0827232

>  <Cat> (108)
S7810

>  <Name> (108)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (108)
N/A

>  <Target> (108)
EGFR

>  <Form> (108)
Dimaleate

>  <CAS> (108)
850140-73-7

>  <URL> (108)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
LDN-214117.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (109)
3029

>  <Formula> (109)
C25H29N3O3

>  <MolWeight> (109)
419.51606

>  <Cat> (109)
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>  <Name> (109)
LDN-214117

>  <Synonyms> (109)
N/A

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

>  <Form> (109)
Free Base

>  <CAS> (109)
1627503-67-6

>  <URL> (109)
http://www.selleckchem.com/products/ldn-214117.html

$$$$
PLX3397.cdx
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>  <Mol_ID> (110)
3053

>  <Formula> (110)
C20H15ClF3N5

>  <MolWeight> (110)
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>  <Cat> (110)
S7818

>  <Name> (110)
Pexidartinib (PLX3397)

>  <Synonyms> (110)
N/A

>  <Target> (110)
CSF-1R

>  <Form> (110)
Free Base

>  <CAS> (110)
1029044-16-3

>  <URL> (110)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

$$$$
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csChFnd80/06042111452D

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    9.6995    0.7000    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    2.8000    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
    4.8497    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
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 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
   14.6683    2.3674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4912    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6683    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0994    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4688    6.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9014    7.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9646    8.6224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5952    8.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1626    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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 10  1  0  0  0  0
  5 16  1  0  0  0  0
 16 17  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
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (111)
3058

>  <Formula> (111)
C24H25N5O

>  <MolWeight> (111)
399.4882

>  <Cat> (111)
S7840

>  <Name> (111)
Dorsomorphin (Compound C)

>  <Synonyms> (111)
Compound C, BML-275

>  <Target> (111)
AMPK

>  <Form> (111)
Free Base

>  <CAS> (111)
866405-64-3

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

$$$$
BBI608(Napabucasin.cdx
csChFnd80/06042111452D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    1.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    3.9326    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
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1041    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1041    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 10 14  2  0  0  0  0
  7 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (112)
3066

>  <Formula> (112)
C14H8O4

>  <MolWeight> (112)
240.21092

>  <Cat> (112)
S7977

>  <Name> (112)
Napabucasin

>  <Synonyms> (112)
N/A

>  <Target> (112)
STAT

>  <Form> (112)
Free Base

>  <CAS> (112)
83280-65-3

>  <URL> (112)
http://www.selleckchem.com/products/napabucasin-bbi608.html

$$$$
VTX-2337.cdx
csChFnd80/06042111452D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.6322    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    3.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2689    8.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6485    7.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5183    9.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2883    5.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7980    4.2291    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
  5 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  1  0  0  0  0
 23 24  2  0  0  0  0
 24 17  1  0  0  0  0
 21 25  1  0  0  0  0
 23 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
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (113)
3087

>  <Formula> (113)
C28H34N4O2

>  <MolWeight> (113)
458.59516

>  <Cat> (113)
S7161

>  <Name> (113)
Motolimod (VTX-2337)

>  <Synonyms> (113)
N/A

>  <Target> (113)
TLR

>  <Form> (113)
Free Base

>  <CAS> (113)
926927-61-9

>  <URL> (113)
http://www.selleckchem.com/products/motolimod-vtx-2337.html

$$$$
Resiquimod.cdx
csChFnd80/06042111452D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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 10  6  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 14  8  1  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
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (114)
3100

>  <Formula> (114)
C17H22N4O2

>  <MolWeight> (114)
314.38218

>  <Cat> (114)
S8133

>  <Name> (114)
Resiquimod

>  <Synonyms> (114)
R-848

>  <Target> (114)
TLR

>  <Form> (114)
Free Base

>  <CAS> (114)
144875-48-9

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

$$$$
SCH58261.cdx
csChFnd80/06042111452D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (115)
3124

>  <Formula> (115)
C18H15N7O

>  <MolWeight> (115)
345.358

>  <Cat> (115)
S8104

>  <Name> (115)
SCH58261

>  <Synonyms> (115)
N/A

>  <Target> (115)
Adenosine Receptor

>  <Form> (115)
Free Base

>  <CAS> (115)
160098-96-4

>  <URL> (115)
http://www.selleckchem.com/products/sch58261.html

$$$$
STA-21.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (116)
3126

>  <Formula> (116)
C19H14O4

>  <MolWeight> (116)
306.31206

>  <Cat> (116)
S7951

>  <Name> (116)
STA-21

>  <Synonyms> (116)
N/A

>  <Target> (116)
STAT

>  <Form> (116)
Free Base

>  <CAS> (116)
111540-00-2

>  <URL> (116)
http://www.selleckchem.com/products/sta-21.html

$$$$
BEC Hydrochloride.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (117)
3133

>  <Formula> (117)
C5H13BClNO4S

>  <MolWeight> (117)
229.49002

>  <Cat> (117)
S7929

>  <Name> (117)
BEC Hydrochloride

>  <Synonyms> (117)
N/A

>  <Target> (117)
Others

>  <Form> (117)
hydrochloride salt

>  <CAS> (117)
222638-67-7

>  <URL> (117)
http://www.selleckchem.com/products/bec-hydrochloride.html

$$$$
PD-1PD-L1 inhibitor 1.cdx
csChFnd80/06042111452D

 35 38  0  0  0  0  0  0  0  0999 V2000
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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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M  END
>  <Mol_ID> (118)
3135

>  <Formula> (118)
C29H33NO5

>  <MolWeight> (118)
475.57602

>  <Cat> (118)
S7911

>  <Name> (118)
PD-1/PD-L1 inhibitor 1

>  <Synonyms> (118)
N/A

>  <Target> (118)
PD-1/PD-L1

>  <Form> (118)
Free Base

>  <CAS> (118)
1675201-83-8

>  <URL> (118)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-1.html

$$$$
Halofuginone.cdx
csChFnd80/06042111452D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (119)
3157

>  <Formula> (119)
C16H17BrClN3O3

>  <MolWeight> (119)
414.68148

>  <Cat> (119)
S8144

>  <Name> (119)
Halofuginone

>  <Synonyms> (119)
N/A

>  <Target> (119)
Others

>  <Form> (119)
Free Base

>  <CAS> (119)
55837-20-2

>  <URL> (119)
http://www.selleckchem.com/products/halofuginone.html

$$$$
ZM241385.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (120)
3205

>  <Formula> (120)
C16H15N7O2

>  <MolWeight> (120)
337.336

>  <Cat> (120)
S8105

>  <Name> (120)
ZM241385

>  <Synonyms> (120)
N/A
N/A

>  <Target> (120)
Adenosine Receptor

>  <Form> (120)
Free Base

>  <CAS> (120)
139180-30-6

>  <URL> (120)
http://www.selleckchem.com/products/zm241385.html

$$$$
SIS3.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (121)
3259

>  <Formula> (121)
C28H28ClN3O3

>  <MolWeight> (121)
489.99322

>  <Cat> (121)
S7959

>  <Name> (121)
SIS3 HCl

>  <Synonyms> (121)
N/A

>  <Target> (121)
TGF-beta/Smad

>  <Form> (121)
hydrochloride

>  <CAS> (121)
521984-48-5

>  <URL> (121)
http://www.selleckchem.com/products/sis3.html

$$$$
ATI-2341.cdx
csChFnd80/06042111452D

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1337878-62-2

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1228585-88-3

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http://www.selleckchem.com/products/gs-9620.html

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874911-96-3

>  <URL> (124)
http://www.selleckchem.com/products/zk756326.html

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>  <Mol_ID> (125)
3298

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C15H20O2

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S8318

>  <Name> (125)
Alantolactone

>  <Synonyms> (125)
helenin, helenine, Eupatal

>  <Target> (125)
Others

>  <Form> (125)
Free Base

>  <CAS> (125)
546-43-0

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

$$$$
NT157.cdx
csChFnd80/06042111452D

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3311

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C16H14BrNO5S

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S8228

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NT157

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N/A

>  <Target> (126)
IGF-1R

>  <Form> (126)
Free Base

>  <CAS> (126)
1384426-12-3

>  <URL> (126)
http://www.selleckchem.com/products/nt157.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/06042111452D

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>  <Mol_ID> (127)
3319

>  <Formula> (127)
C26H24N8O2

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S8362

>  <Name> (127)
ARRY-380 (ONT-380)

>  <Synonyms> (127)
Tucatinib

>  <Target> (127)
HER2

>  <Form> (127)
Free Base

>  <CAS> (127)
937263-43-9

>  <URL> (127)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
LM10.cdx
csChFnd80/06042111452D

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LM10

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N/A

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Others

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Free Base

>  <CAS> (128)
1316695-35-8

>  <URL> (128)
http://www.selleckchem.com/products/lm10.html

$$$$
JNJ-42756493 (Erdafitinib).cdx
csChFnd80/06042111452D

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>  <Synonyms> (129)
N/A

>  <Target> (129)
FGFR

>  <Form> (129)
Free Base

>  <CAS> (129)
1346242-81-6

>  <URL> (129)
http://www.selleckchem.com/products/jnj-42756493-erdafitinib.html

$$$$
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M  END
>  <Mol_ID> (133)
3375

>  <Formula> (133)
C24H44Br6N6

>  <MolWeight> (133)
896.07036

>  <Cat> (133)
S2879

>  <Name> (133)
AMD3465 hexahydrobromide

>  <Synonyms> (133)
N/A

>  <Target> (133)
CXCR

>  <Form> (133)
HBr

>  <CAS> (133)
185991-07-5, 185991-24-6 (free base)

>  <URL> (133)
http://www.selleckchem.com/products/amd3465.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (134)
3390

>  <Formula> (134)
C15H18O2

>  <MolWeight> (134)
230.30222

>  <Cat> (134)
S8291

>  <Name> (134)
Atractylenolide I

>  <Synonyms> (134)
N/A

>  <Target> (134)
Immunology & Inflammation related

>  <Form> (134)
Free Base

>  <CAS> (134)
73069-13-3
73069-13-3

>  <URL> (134)
http://www.selleckchem.com/products/atractylenolide-i.html

$$$$
DAPTA.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (135)
3422

>  <Formula> (135)
C35H56N10O15

>  <MolWeight> (135)
856.87714

>  <Cat> (135)
S8501

>  <Name> (135)
DAPTA

>  <Synonyms> (135)
D-Ala-peptide T-amide, peptide T

>  <Target> (135)
gp120 Bal-CCR5,CM235-CCR5

>  <Form> (135)
free base

>  <CAS> (135)
106362-34-9

>  <URL> (135)
http://www.selleckchem.com/products/dapta.html

$$$$
AUNP-12.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (136)
3435

>  <Formula> (136)
C142H226N40O48

>  <MolWeight> (136)
3261.55304

>  <Cat> (136)
S8549

>  <Name> (136)
AUNP-12

>  <Synonyms> (136)
Aur-012, Aurigene-012, Aurigene NP-12

>  <Target> (136)
PD-1

>  <CAS> (136)
1353563-85-5

>  <URL> (136)
http://www.selleckchem.com/products/aunp-12.html

$$$$
HJC0152.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (137)
3467

>  <Formula> (137)
C15H14Cl3N3O4

>  <MolWeight> (137)
406.64836

>  <Cat> (137)
S8561

>  <Name> (137)
HJC0152

>  <Synonyms> (137)
N/A

>  <Target> (137)
STAT3

>  <Form> (137)
hydrochloride

>  <CAS> (137)
1420290-99-8

>  <URL> (137)
http://www.selleckchem.com/products/hjc0152.html

$$$$
PRN1371.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (138)
3471

>  <Formula> (138)
C26H30Cl2N6O4

>  <MolWeight> (138)
561.4602

>  <Cat> (138)
S8578

>  <Name> (138)
PRN1371

>  <Synonyms> (138)
N/A

>  <Target> (138)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (138)
free base

>  <CAS> (138)
1802929-43-6

>  <URL> (138)
http://www.selleckchem.com/products/prn1371.html

$$$$
CPI-444.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (139)
3488

>  <Formula> (139)
C16H12FN5O

>  <MolWeight> (139)
309.2977832

>  <Cat> (139)
S8575

>  <Name> (139)
A2AR antagonist 1

>  <Synonyms> (139)
N/A

>  <Target> (139)
A2AR,A1R

>  <Form> (139)
free base

>  <CAS> (139)
443103-97-7

>  <URL> (139)
http://www.selleckchem.com/products/a2ar-antagonist-1.html

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/06042111452D

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266359-83-5

>  <URL> (140)
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>  <URL> (141)
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free base

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198474-05-4

>  <URL> (142)
http://www.selleckchem.com/products/pf-06840003.html

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>  <Formula> (143)
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STAT3

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>  <CAS> (143)
432001-19-9

>  <URL> (143)
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M  END
>  <Mol_ID> (144)
3554

>  <Formula> (144)
C29H35N7O

>  <MolWeight> (144)
497.6345

>  <Cat> (144)
S8557

>  <Name> (144)
IDO inhibitor 1

>  <Synonyms> (144)
N/A

>  <Target> (144)
IDO

>  <Form> (144)
free base

>  <CAS> (144)
1668565-74-9

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

$$$$
GO-203.cdx
csChFnd80/06042111452D

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165166  1  0  0  0  0
165167  2  0  0  0  0
M  END
>  <Mol_ID> (145)
3592

>  <Formula> (145)
C89H171F3N52O21S2

>  <MolWeight> (145)
2426.7710496

>  <Cat> (145)
S8674

>  <Name> (145)
GO-203

>  <Synonyms> (145)
N/A

>  <Target> (145)
MUC-1C

>  <Form> (145)
trifluoroacetate

>  <CAS> (145)
1222186-26-6

>  <URL> (145)
http://www.selleckchem.com/products/go-203.html

$$$$
S5249 Coptisine chloride.cdx
csChFnd80/06042111452D

 25 29  0  0  0  0  0  0  0  0999 V2000
    5.7918    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7918    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3669    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0043    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0043    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3669    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0043    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    2.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  2  0  0  0  0
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 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (146)
3657

>  <Formula> (146)
C19H14ClNO4

>  <MolWeight> (146)
355.77176

>  <Cat> (146)
S5249

>  <Name> (146)
Coptisine chloride

>  <Synonyms> (146)
Q-100696, NSC-119754

>  <Target> (146)
Others

>  <Form> (146)
chloride 

>  <CAS> (146)
6020-18-4

>  <URL> (146)
http://selleckchem.com/products/coptisine-chloride.html

$$$$
Cu-CPT22.cdx
csChFnd80/06042111452D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8355    7.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8355    5.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    4.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    5.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    7.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6183    7.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9399    7.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    7.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9690    1.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8593    0.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2402    1.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1305    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5113    0.2308    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 11  2  0  0  0  0
 11  2  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
  6 15  1  0  0  0  0
  5 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (147)
3712

>  <Formula> (147)
C19H22O7

>  <MolWeight> (147)
362.37378

>  <Cat> (147)
S8677

>  <Name> (147)
Cu-CPT22

>  <Synonyms> (147)
N/A

>  <Target> (147)
TLR

>  <Form> (147)
free base

>  <CAS> (147)
1416324-85-0

>  <URL> (147)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/06042111452D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4674    0.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545    1.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273    1.1273    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    5.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  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  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (148)
3739

>  <Formula> (148)
C10H16N5O8P

>  <MolWeight> (148)
365.236501

>  <Cat> (148)
S5284

>  <Name> (148)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (148)
5'-Adenylic acid, 5'-AMP

>  <Target> (148)
AMPK

>  <Form> (148)
hydrate 

>  <CAS> (148)
18422-05-4

>  <URL> (148)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
DCC-2618.cdx
csChFnd80/06042111452D

 36 40  0  0  0  0  0  0  0  0999 V2000
    4.8205    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6703    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    4.4834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    1.6834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5200    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7324    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5200    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9449    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1573    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9449    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3697    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3697    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5822    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7946    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7946    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5822    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4324    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0324    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (149)
3822

>  <Formula> (149)
C26H21F2N5O3

>  <MolWeight> (149)
489.4734464

>  <Cat> (149)
S8721

>  <Name> (149)
DCC-2618

>  <Synonyms> (149)
N/A

>  <Target> (149)
c-Kit

>  <CAS> (149)
 1225278-16-9

>  <URL> (149)
http://selleckchem.com/products/dcc-2618.html

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (150)
3917

>  <Formula> (150)
C42H68O13

>  <MolWeight> (150)
780.98152

>  <Cat> (150)
S5454

>  <Name> (150)
Saikosaponin D

>  <Synonyms> (150)
N/A

>  <Target> (150)
ATPase

>  <Form> (150)
free base

>  <CAS> (150)
20874-52-6

>  <URL> (150)
http://selleckchem.com/products/saikosaponin-d.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/06042111452D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (151)
4013

>  <Formula> (151)
C20H18O6

>  <MolWeight> (151)
354.35332

>  <Cat> (151)
S3934

>  <Name> (151)
Acetyl Resveratrol

>  <Synonyms> (151)
N/A

>  <Target> (151)
Sirt12

>  <Form> (151)
free base

>  <CAS> (151)
42206-94-0

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

$$$$
S5358 Regadenoson.cdx
csChFnd80/06042111452D

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M  END
>  <Mol_ID> (152)
4035

>  <Formula> (152)
C15H18N8O5

>  <MolWeight> (152)
390.35402

>  <Cat> (152)
S5358

>  <Name> (152)
Regadenoson

>  <Synonyms> (152)
CVT-3146, Lexiscan

>  <Target> (152)
Adenosine Receptor

>  <Form> (152)
free base

>  <CAS> (152)
313348-27-5  

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

$$$$
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>  <Mol_ID> (153)
4048

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N/A

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IDO1

>  <Form> (153)
free base

>  <CAS> (153)
1923833-60-6

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

$$$$

csChFnd80/06042111452D

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>  <Mol_ID> (154)
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C14H11ClN4S2

>  <MolWeight> (154)
334.84694

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S8700

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TP0427736 HCl

>  <Synonyms> (154)
N/A

>  <Target> (154)
ALK

>  <Form> (154)
hydrochloride

>  <CAS> (154)
864374-00-5

>  <URL> (154)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (155)
4280

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C29H39NO9

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S9015

>  <Name> (155)
Homoharringtonine

>  <CAS> (155)
26833-87-4

$$$$
S9100 Fraxinellone.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (156)
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Fraxinellone

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free base

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28808-62-0

$$$$
S9137 Erianin.cdx
csChFnd80/06042111452D

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free base

>  <CAS> (157)
95041-90-0

$$$$
S9234 Schaftoside.cdx
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Schaftoside

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51938-32-0

$$$$
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csChFnd80/06042111452D

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Isofraxidin

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free base

>  <CAS> (159)
486-21-5

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/06042111452D

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>  <Mol_ID> (160)
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>  <Formula> (160)
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>  <MolWeight> (160)
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>  <Cat> (160)
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>  <Name> (160)
Lapatinib ditosylate monohydrate

>  <Synonyms> (160)
Tykerb Ditosylate

>  <Target> (160)
Others

>  <Form> (160)
ditosylate monohydrate

>  <CAS> (160)
388082-78-8

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

$$$$

csChFnd80/06042111452D

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M  END
>  <Mol_ID> (161)
4810

>  <Formula> (161)
C17H10F9NO2

>  <MolWeight> (161)
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>  <Cat> (161)
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SR1078

>  <Synonyms> (161)
N/A

>  <Target> (161)
Others

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Free Base

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1246525-60-9

>  <URL> (161)
http://www.selleckchem.com/products/sr1078.html

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4856

>  <Formula> (162)
C24H29N5O3

>  <MolWeight> (162)
435.51876

>  <Cat> (162)
S8772

>  <Name> (162)
LY 3200882 

>  <Synonyms> (162)
N/A

>  <Target> (162)
TGF-beta/Smad

>  <Form> (162)
Free Base

>  <CAS> (162)
1898283-02-7

>  <URL> (162)
http://www.selleckchem.com/products/ly3200882.html

$$$$

csChFnd80/06042111452D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
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 15 16  1  0  0  0  0
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 19 14  1  0  0  0  0
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M  END
>  <Mol_ID> (163)
4865

>  <Formula> (163)
C17H13ClN2O3

>  <MolWeight> (163)
328.74972

>  <Cat> (163)
S8813

>  <Name> (163)
LIT-927

>  <Synonyms> (163)
N/A

>  <Target> (163)
CXCR

>  <Form> (163)
Free Base

>  <CAS> (163)
2172879-52-4

>  <URL> (163)
http://www.selleckchem.com/products/lit-927.html

$$$$

csChFnd80/06042111452D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 28 21  1  0  0  0  0
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 29 30  1  0  0  0  0
  7 31  1  0  0  0  0
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>  <Mol_ID> (164)
5190

>  <Formula> (164)
C27H25N5O2

>  <MolWeight> (164)
451.5197

>  <Cat> (164)
S8755

>  <Name> (164)
AZ304

>  <Synonyms> (164)
N/A

>  <Target> (164)
Raf

>  <Form> (164)
free base

>  <CAS> (164)
942507-42-8

>  <URL> (164)
http://www.selleck.cn/products/az304.html

$$$$

csChFnd80/06042111452D

  8  7  0  0  0  0  0  0  0  0999 V2000
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.4000    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  4  1  0  0  0  0
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>  <Mol_ID> (165)
5241

>  <Formula> (165)
C5H11NO2

>  <MolWeight> (165)
117.14634

>  <Cat> (165)
S6334

>  <Name> (165)
DL-Norvaline

>  <Synonyms> (165)
2-Aminopentanoic acid, H-DL-Nva-OH, 2-Aminovaleric acid, ¦Á-Aminopentanoic acid

>  <Target> (165)
Others

>  <Form> (165)
free base

>  <CAS> (165)
760-78-1

>  <URL> (165)
http://www.selleck.cn/products/dl-norvaline.html

$$$$

csChFnd80/06042111452D

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    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    4.8976    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.8951    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.1976    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
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 12  1  0  0  0  0
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 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (166)
5269

>  <Formula> (166)
C13H8Cl2N2O4

>  <MolWeight> (166)
327.11962

>  <Cat> (166)
S3030

>  <Name> (166)
Niclosamide

>  <Synonyms> (166)
Niclocide

>  <Target> (166)
STAT

>  <Form> (166)
Free Base

>  <CAS> (166)
50-65-7

>  <URL> (166)
http://www.selleck.cn/products/niclosamide-niclocide.html

$$$$

csChFnd80/06042111452D

 14 14  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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    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
    9.6995    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
  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
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  5  8  2  0  0  0  0
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  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 13  3  0  0  0  0
 12 14  3  0  0  0  0
M  END
>  <Mol_ID> (167)
6651

>  <Formula> (167)
C9H5ClN4

>  <MolWeight> (167)
204.6158

>  <Cat> (167)
S6494

>  <Name> (167)
CCCP

>  <Synonyms> (167)
Carbonyl cyanide m-chlorophenyl hydrazone

>  <Target> (167)
Others

>  <Form> (167)
free base

>  <CAS> (167)
555-60-2

>  <URL> (167)
http://www.selleck.cn/products/cccp.html

$$$$

csChFnd80/06042111452D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    9.6995    2.8000    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
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    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  6 17  1  0  0  0  0
  6 20  1  0  0  0  0
  7 13  1  0  0  0  0
  8 13  2  0  0  0  0
  8 18  1  0  0  0  0
  9 17  2  0  0  0  0
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 10 11  2  0  0  0  0
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 11 14  1  0  0  0  0
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 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (168)
6693

>  <Formula> (168)
C11H9Cl2N3O3S

>  <MolWeight> (168)
334.17846

>  <Cat> (168)
S6555

>  <Name> (168)
AZD2098

>  <Synonyms> (168)
N/A

>  <Target> (168)
CCR

>  <Form> (168)
free base

>  <CAS> (168)
566203-88-1

>  <URL> (168)
http://www.selleck.cn/products/azd2098.html

$$$$

csChFnd80/06042111452D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    3.6373    0.7000    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
   13.3368    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 O   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
    2.4249    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
    2.4249    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
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    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
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   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 22  1  0  0  0  0
  2  9  1  0  0  0  0
  2 23  1  0  0  0  0
  3 10  1  0  0  0  0
  3 24  1  0  0  0  0
  4 17  1  0  0  0  0
  4 25  1  0  0  0  0
  5 20  1  0  0  0  0
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  6 16  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (169)
6702

>  <Formula> (169)
C20H22O6

>  <MolWeight> (169)
358.38508

>  <Cat> (169)
S6573

>  <Name> (169)
MD2-IN-1

>  <Synonyms> (169)
N/A

>  <Target> (169)
Others

>  <Form> (169)
free base

>  <CAS> (169)
111797-22-9

>  <URL> (169)
http://www.selleck.cn/products/md2-in-1.html

$$$$

csChFnd80/06042111452D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    3.2710    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
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
  9 10  2  0  0  0  0
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  5  9  1  0  0  0  0
 12 13  1  0  0  0  0
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 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 15 18  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (170)
6704

>  <Formula> (170)
C11H7IN2O4

>  <MolWeight> (170)
358.08875

>  <Cat> (170)
S6575

>  <Name> (170)
C-176 STING inhibitor

>  <Synonyms> (170)
N/A

>  <Target> (170)
Others

>  <Form> (170)
free base

>  <CAS> (170)
314054-00-7

>  <URL> (170)
http://www.selleck.cn/products/c-176-sting-inhibitor.html

$$$$

csChFnd80/06042111452D

 32 34  0  0  0  0  0  0  0  0999 V2000
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   10.9089    4.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9718    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7573    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1818314-88-3

>  <URL> (172)
http://www.selleck.cn/products/bms-1166.html

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 22 24  0  0  0  0  0  0  0  0999 V2000
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N/A

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CXCR

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>  <URL> (173)
http://www.selleck.cn/products/msx-122.html

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>  <URL> (174)
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>  <URL> (177)
http://www.selleck.cn/products/itd-1.html

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473727-83-2

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N/A

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CSF-1R

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Free Base

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1303420-67-8

>  <URL> (181)
http://www.selleck.cn/products/plx5622.html

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TLR

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Dihydrochloride

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1345675-25-3

>  <URL> (182)
http://www.selleck.cn/products/e6446.html

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941987-60-6

>  <URL> (184)
http://www.selleck.cn/products/h-151.html

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csChFnd80/06042111452D

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M  END
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6886

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C20H31N3O

>  <MolWeight> (185)
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>  <Synonyms> (185)
N/A

>  <Target> (185)
TGF-beta/Smad

>  <Form> (185)
Free Base

>  <CAS> (185)
1629138-41-5

>  <URL> (185)
http://www.selleck.cn/products/sri-011381.html

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csChFnd80/06042111452D

 24 27  0  0  0  0  0  0  0  0999 V2000
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6896

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C17H10N2O5

>  <MolWeight> (186)
322.2717

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S6667

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C-178

>  <Synonyms> (186)
N/A

>  <Target> (186)
STING

>  <Form> (186)
Free Base

>  <CAS> (186)
329198-87-0

>  <URL> (186)
http://www.selleck.cn/products/c-178.html

$$$$

csChFnd80/06042111452D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (187)
6972

>  <Formula> (187)
C19H14BF4N3O4S

>  <MolWeight> (187)
467.2017728

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S8947

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SX-682

>  <Synonyms> (187)
N/A

>  <Target> (187)
CXCR

>  <Form> (187)
Free Base

>  <CAS> (187)
1648843-04-2

>  <URL> (187)
http://www.selleckchem.com/products/sx-682.html

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csChFnd80/06042111452D

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C20H13FN4O2

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p38 MAPK

>  <Form> (188)
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>  <CAS> (188)
152121-53-4

>  <URL> (188)
http://www.selleckchem.com/products/pd-169316.html

$$$$

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   10.1782    8.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  2  0  0  0  0
 16 20  2  0  0  0  0
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 18 22  2  0  0  0  0
 19 22  1  0  0  0  0
 20 25  1  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (189)
7013

>  <Formula> (189)
C20H13F2N3

>  <MolWeight> (189)
333.3341264

>  <Cat> (189)
S6807

>  <Name> (189)
TA-02

>  <Synonyms> (189)
N/A

>  <Target> (189)
p38 MAPK

>  <Form> (189)
Free Base

>  <CAS> (189)
1784751-19-4

>  <URL> (189)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/06042111452D

 29 32  0  0  0  0  0  0  0  0999 V2000
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   13.5086    3.9468    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7972    5.5744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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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    0.0000    6.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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> (190)
7032

>  <Formula> (190)
C21H16ClFN2O3S

>  <MolWeight> (190)
430.8797432

>  <Cat> (190)
S8954

>  <Name> (190)
STING agonist-1 (G10)

>  <Synonyms> (190)
N/A

>  <Target> (190)
STING

>  <Form> (190)
Free Base

>  <CAS> (190)
702662-50-8

>  <URL> (190)
http://www.selleckchem.com/products/sting-agonist-1-g10.html

$$$$

csChFnd80/06042111452D

 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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   10.9120    7.0002    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8001    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
   10.9119    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2 11  2  0  0  0  0
  3 14  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  8  6  1  0  0  0  0
  6 14  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  1  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
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 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> (191)
7040

>  <Formula> (191)
C18H18N2O5

>  <MolWeight> (191)
342.34592

>  <Cat> (191)
S0129

>  <Name> (191)
SB-297006

>  <Synonyms> (191)
N/A

>  <Target> (191)
CCR

>  <Form> (191)
Free Base

>  <CAS> (191)
58816-69-6

>  <URL> (191)
http://www.selleckchem.com/products/sb297006.html

$$$$

csChFnd80/06042111452D

 34 37  0  0  0  0  0  0  0  0999 V2000
    3.6374    4.9001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    3.6877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374    6.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997   14.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6618   11.4737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    9.8002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873   11.9002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.9002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371   11.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4789   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6618   13.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247   14.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1247   11.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121   11.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8789   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748   11.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748   14.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  4 28  1  0  0  0  0
  4 32  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 17  1  0  0  0  0
  7 20  1  0  0  0  0
  8 19  1  0  0  0  0
  8 31  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  2  0  0  0  0
 10 31  2  0  0  0  0
 10 34  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 27  1  0  0  0  0
 18 25  2  0  0  0  0
 19 26  2  0  0  0  0
 20 21  2  0  0  0  0
 20 30  1  0  0  0  0
 22 28  2  0  0  0  0
 25 26  1  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <Mol_ID> (192)
7063

>  <Formula> (192)
C24H28N6O3S

>  <MolWeight> (192)
480.58252

>  <Cat> (192)
S0487

>  <Name> (192)
Sulfatinib

>  <Synonyms> (192)
HMPL-012, Sufatinib, Surfatinib

>  <Target> (192)
CSF-1R

>  <Form> (192)
Free Base

>  <CAS> (192)
1308672-74-3

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

$$$$

csChFnd80/06042111452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   12.2792    1.2124    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    3.5575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    1.2922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
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 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (193)
7065

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100874-08-6

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http://www.selleckchem.com/products/sb-4.html

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C18H14N2O3

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>  <Target> (194)
EGFR

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Free Base

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133550-49-9

>  <URL> (194)
http://www.selleckchem.com/products/tyrphostin-ag-528.html

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7096

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CSF-1R

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Free Base

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623142-96-1

>  <URL> (195)
http://www.selleckchem.com/products/ki20227.html

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N/A

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ALK

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Free Base

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909910-43-6

>  <URL> (196)
http://www.selleckchem.com/products/a-83-01.html

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>  <Cat> (197)
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1286279-29-5

>  <URL> (197)
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 26 27  0  0  0  0  0  0  0  0999 V2000
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   10.9119    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7995    3.6876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
  3 14  2  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
>  <Mol_ID> (198)
7121

>  <Formula> (198)
C16H10ClF6NO2

>  <MolWeight> (198)
397.6995192

>  <Cat> (198)
S0094

>  <Name> (198)
SR 0987

>  <Target> (198)
ROR

>  <Form> (198)
free base

>  <CAS> (198)
303126-97-8

>  <URL> (198)
http://www.selleckchem.com/products/sr0987.html

$$$$

csChFnd80/06042111452D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 17 30  2  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Mol_ID> (199)
7161

>  <Formula> (199)
C21H13ClF3N3O2

>  <MolWeight> (199)
431.7950296

>  <Cat> (199)
S0445

>  <Name> (199)
SC-43

>  <Target> (199)
phosphatase

>  <Form> (199)
free base

>  <CAS> (199)
1400989-25-4

>  <URL> (199)
http://www.selleckchem.com/products/sc-43.html

$$$$

csChFnd80/06042111452D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   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
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 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> (200)
7175

>  <Formula> (200)
C23H40N2O3

>  <MolWeight> (200)
392.5753

>  <Cat> (200)
S0752

>  <Name> (200)
AUDA

>  <Target> (200)
Epoxide Hydrolase

>  <Form> (200)
free base

>  <CAS> (200)
479413-70-2

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

$$$$

csChFnd80/06042111452D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (201)
7177

>  <Formula> (201)
C17H17N3O

>  <MolWeight> (201)
279.33638

>  <Cat> (201)
S0777

>  <Name> (201)
APX-115 free base

>  <Target> (201)
NADPH-oxidase

>  <Form> (201)
free base

>  <CAS> (201)
1270084-92-8

>  <URL> (201)
http://www.selleckchem.com/products/apx-115-free-base.html

$$$$

csChFnd80/06042111452D

 35 37  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
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  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 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
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 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 29 24  1  0  0  0  0
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 30 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (202)
7181

>  <Formula> (202)
C28H29NO6

>  <MolWeight> (202)
475.53296

>  <Cat> (202)
S0818

>  <Name> (202)
STAT3-IN-1

>  <Target> (202)
STAT

>  <Form> (202)
free base

>  <CAS> (202)
2059952-75-7

>  <URL> (202)
http://www.selleckchem.com/products/stat3-in-1.html

$$$$

csChFnd80/06042111452D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2157    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 N   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
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   11.9112    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6988    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6988    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9112    1.6834    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
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  5 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
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 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (203)
7183

>  <Formula> (203)
C15H8F2LiN5O3

>  <MolWeight> (203)
351.1935264

>  <Cat> (203)
S0853

>  <Name> (203)
SR-717?lithium

>  <Target> (203)
STING

>  <Form> (203)
free base

>  <CAS> (203)
2375421-09-1

>  <URL> (203)
http://www.selleckchem.com/products/sr-717.html

$$$$

csChFnd80/06042111452D

 40 43  0  0  0  0  0  0  0  0999 V2000
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 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
  3 18  1  0  0  0  0
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 14 20  2  0  0  0  0
 17 21  1  0  0  0  0
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 25 26  1  0  0  0  0
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 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> (204)
7187

>  <Formula> (204)
C30H48O7

>  <MolWeight> (204)
520.69792

>  <Cat> (204)
S0949

>  <Name> (204)
Cucurbitacin IIb

>  <Target> (204)
STAT

>  <Form> (204)
free base

>  <CAS> (204)
50298-90-3

>  <URL> (204)
http://www.selleckchem.com/products/curcubitacin-iib.html

$$$$

csChFnd80/06042111452D

 12 12  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (205)
7197

>  <Formula> (205)
C10H14O

>  <MolWeight> (205)
150.21756

>  <Cat> (205)
S3205

>  <Name> (205)
Perillaldehyde

>  <Target> (205)
AhR

>  <Form> (205)
free base

>  <CAS> (205)
18031-40-8

>  <URL> (205)
http://www.selleckchem.com/products/perillaldehyde.html

$$$$

csChFnd80/06042111452D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  8  2  1  1  0  0  0
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 11  5  1  6  0  0  0
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  8 11  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (206)
7207

>  <Formula> (206)
C7H14O6

>  <MolWeight> (206)
194.18246

>  <Cat> (206)
S3223

>  <Name> (206)
L-Quebrachitol

>  <Target> (206)
TGF-beta/Smad

>  <Form> (206)
free base

>  <CAS> (206)
642-38-6

>  <URL> (206)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/06042111452D

 42 46  0  0  0  0  0  0  0  0999 V2000
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    8.4786   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786   13.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8993   13.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   14.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580   13.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  1  0  0  0
  1  8  1  1  0  0  0
  3  9  1  1  0  0  0
  6 10  1  6  0  0  0
  2 11  1  6  0  0  0
  9 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  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 15 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 16  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
  7 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  1  0  0  0
 33 32  1  1  0  0  0
 35 40  1  6  0  0  0
 37 41  1  6  0  0  0
 38 42  1  6  0  0  0
M  END
>  <Mol_ID> (207)
7240

>  <Formula> (207)
C27H30O15

>  <MolWeight> (207)
594.5181

>  <Cat> (207)
S3267

>  <Name> (207)
Kaempferol-3-O-rutinoside

>  <Target> (207)
Apoptosis related

>  <Form> (207)
free base

>  <CAS> (207)
17650-84-9

>  <URL> (207)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/06042111452D

 19 18  0  0  0  0  0  0  0  0999 V2000
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    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> (208)
7261

>  <Formula> (208)
C17H24O2

>  <MolWeight> (208)
260.37126

>  <Cat> (208)
S3292

>  <Name> (208)
Falcarindiol

>  <Target> (208)
NOS

>  <Form> (208)
free base

>  <CAS> (208)
225110-25-8

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

$$$$

csChFnd80/06042111452D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 O   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
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 21  1  0  0  0  0
  2 13  1  0  0  0  0
  3 20  1  0  0  0  0
  4 20  2  0  0  0  0
  5  7  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  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
  8 20  1  0  0  0  0
  9 13  2  0  0  0  0
  9 15  1  0  0  0  0
  9 17  1  0  0  0  0
 10 14  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  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> (209)
7282

>  <Formula> (209)
C16H15NO4

>  <MolWeight> (209)
285.2946

>  <Cat> (209)
S6597

>  <Name> (209)
TLR2-IN-C29

>  <Target> (209)
TLR

>  <Form> (209)
free base

>  <CAS> (209)
363600-92-4

>  <URL> (209)
http://www.selleckchem.com/products/tlr2-in-c29.html

$$$$

csChFnd80/06042111452D

 37 42  0  0  0  0  0  0  0  0999 V2000
    5.7039    4.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7039    2.9168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    2.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1288    2.9168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1288    4.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    5.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3724    4.7494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    3.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3724    2.4842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1692    5.2536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997    6.5325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2074    6.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    3.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2825    3.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.6247    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2624    5.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9101    5.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9723    3.4174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3334    2.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6810    1.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0421    0.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3897    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    0.8217    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  1  1  0  0  0  0
  1  7  2  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
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  6  1  0  0  0  0
  8 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
 10 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 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
  3 37  1  0  0  0  0
M  END
>  <Mol_ID> (210)
7318

>  <Formula> (210)
C25H29N9O3

>  <MolWeight> (210)
503.55626

>  <Cat> (210)
S6910

>  <Name> (210)
Preladenant

>  <Target> (210)
Adenosine Receptor

>  <Form> (210)
free base

>  <CAS> (210)
377727-87-2

>  <URL> (210)
http://www.selleckchem.com/products/preladenant.html

$$$$

csChFnd80/06042111452D

 50 54  0  0  0  0  0  0  0  0999 V2000
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    2.4249    9.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    8.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995   10.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (211)
7325

>  <Formula> (211)
C41H52N4O4S

>  <MolWeight> (211)
696.94098

>  <Cat> (211)
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>  <Name> (211)
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>  <Target> (211)
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>  <Form> (211)
free base

>  <CAS> (211)
497223-25-3

>  <URL> (211)
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$$$$

csChFnd80/06042111452D

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>  <Formula> (212)
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>  <MolWeight> (212)
238.2596432

>  <Cat> (212)
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>  <Name> (212)
680C91

>  <Target> (212)
IDO/TDO

>  <Form> (212)
free base

>  <CAS> (212)
163239-22-3

>  <URL> (212)
http://www.selleckchem.com/products/680c91.html

$$$$

csChFnd80/06042111452D

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7356

>  <Formula> (213)
C35H34N2O7

>  <MolWeight> (213)
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>  <Cat> (213)
S9610

>  <Name> (213)
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>  <Target> (213)
PD-1/PD-L1

>  <Form> (213)
free base

>  <CAS> (213)
2113650-03-4

>  <URL> (213)
http://www.selleckchem.com/products/bms-1001.html

$$$$

csChFnd80/06042111452D

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M  END
>  <Mol_ID> (214)
7368

>  <Formula> (214)
C97H144FN33O19S2

>  <MolWeight> (214)
2159.5193632

>  <Cat> (214)
S9665

>  <Name> (214)
Motixafortide (BL-8040)

>  <Target> (214)
CXCR

>  <Form> (214)
free base

>  <CAS> (214)
664334-36-5

>  <URL> (214)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/06042111452D

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M  END
>  <Mol_ID> (215)
7475

>  <Formula> (215)
C16H15FN2O4

>  <MolWeight> (215)
318.2997032

>  <Cat> (215)
S0153

>  <Name> (215)
SJ000291942

>  <Synonyms> (215)
N/A

>  <Target> (215)
TGF-beta/Smad

>  <Form> (215)
Free Base

>  <CAS> (215)
425613-09-8

>  <URL> (215)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/06042111452D

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  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
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 10 13  1  0  0  0  0
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 19 20  1  0  0  0  0
  8  5  2  0  0  0  0
M  END
>  <Mol_ID> (216)
7492

>  <Formula> (216)
C17H15NO2

>  <MolWeight> (216)
265.3065

>  <Cat> (216)
S0290

>  <Name> (216)
SU5204

>  <Synonyms> (216)
N/A

>  <Target> (216)
VEGFR. HER2

>  <Form> (216)
Free Base

>  <CAS> (216)
186611-11-0

>  <URL> (216)
https://www.selleckchem.com/products/su5204.html

$$$$

csChFnd80/06042111452D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 17 24  1  0  0  0  0
 18 23  1  0  0  0  0
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 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (217)
7513

>  <Formula> (217)
C19H23N5O4

>  <MolWeight> (217)
385.41702

>  <Cat> (217)
S0494

>  <Name> (217)
SM 324405

>  <Synonyms> (217)
N/A

>  <Target> (217)
TLR

>  <Form> (217)
Free Base

>  <CAS> (217)
677773-91-0

>  <URL> (217)
https://www.selleckchem.com/products/sm-324405.html

$$$$

csChFnd80/06042111452D

 30 33  0  0  0  0  0  0  0  0999 V2000
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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
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 18 15  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
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 27 28  2  0  0  0  0
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 29 30  1  0  0  0  0
 23 27  1  6  0  0  0
M  END
>  <Mol_ID> (218)
7517

>  <Formula> (218)
C18H18ClIN6O4

>  <MolWeight> (218)
544.73079

>  <Cat> (218)
S0498

>  <Name> (218)
Namodenoson (CF-102)

>  <Synonyms> (218)
2-Cl-IB-MECA

>  <Target> (218)
Adenosine Receptor

>  <Form> (218)
Free Base

>  <CAS> (218)
163042-96-4

>  <URL> (218)
https://www.selleckchem.com/products/namodenoson-cf-102.html

$$$$

csChFnd80/06042111452D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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  3  6  1  0  0  0  0
 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (219)
7698

>  <Formula> (219)
C21H23NO3

>  <MolWeight> (219)
337.41222

>  <Cat> (219)
S6934

>  <Name> (219)
AMG-9810

>  <Synonyms> (219)
N/A

>  <Target> (219)
TRP Channel. TLR

>  <Form> (219)
Free Base

>  <CAS> (219)
545395-94-6

>  <URL> (219)
https://www.selleckchem.com/products/amg-9810.html

$$$$

csChFnd80/06042111452D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (220)
7711

>  <Formula> (220)
C23H25FN2O3

>  <MolWeight> (220)
396.4546032

>  <Cat> (220)
S8919

>  <Name> (220)
LY-3381916

>  <Synonyms> (220)
IDO1-IN-5

>  <Target> (220)
IDO/TDO

>  <Form> (220)
Free Base

>  <CAS> (220)
2166616-75-5

>  <URL> (220)
https://www.selleckchem.com/products/ly-3381916.html

$$$$

csChFnd80/06042111452D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  1 19  1  0  0  0  0
  7  2  1  6  0  0  0
 14  3  1  1  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  4 18  1  0  0  0  0
  5 18  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 10  1  6  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
  6 24  1  1  0  0  0
M  END
>  <Mol_ID> (221)
7714

>  <Formula> (221)
C18H21FN2O2

>  <MolWeight> (221)
316.3699432

>  <Cat> (221)
S8957

>  <Name> (221)
Navoximod

>  <Synonyms> (221)
GDC-0919, NLG-919

>  <Target> (221)
IDO/TDO

>  <Form> (221)
Free Base

>  <CAS> (221)
1402837-78-8

>  <URL> (221)
https://www.selleckchem.com/products/navoximod.html

$$$$

csChFnd80/06042111452D

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CLN

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STAT. Beta Amyloid.

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867021-83-8

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STING

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129425-81-6

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https://www.selleckchem.com/products/msa-2.html

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TLR

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2165340-32-7

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Autophagy

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54-05-7

>  <URL> (225)
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 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (226)
7774

>  <Formula> (226)
C29H29ClN6O4

>  <MolWeight> (226)
561.03136

>  <Cat> (226)
S9786

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BDTX-189

>  <Synonyms> (226)
N/A

>  <Target> (226)
EGFR

>  <Form> (226)
Free Base

>  <CAS> (226)
2414572-47-5

>  <URL> (226)
http://www.selleckchem.com/products/bdtx-189.html

$$$$

csChFnd80/06042111452D

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M  END
>  <Mol_ID> (227)
7808

>  <Formula> (227)
C32H28F3N5O4

>  <MolWeight> (227)
603.5910296

>  <Cat> (227)
S8682

>  <Name> (227)
AMG 487

>  <Synonyms> (227)
N/A

>  <Target> (227)
CXCR

>  <Form> (227)
Free Base

>  <CAS> (227)
473719-41-4

>  <URL> (227)
http://www.selleckchem.com/products/amg-487.html

$$$$

csChFnd80/06042111452D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (228)
7910

>  <Formula> (228)
C21H23Cl3FN5O

>  <MolWeight> (228)
486.7976232

>  <Cat> (228)
S5190

>  <Name> (228)
Crizotinib hydrochloride

>  <Synonyms> (228)
Xalkori, PF-02341066 hydrochloride

>  <Target> (228)
c-Met

>  <Form> (228)
Hydrochloride

>  <CAS> (228)
1415560-69-8

>  <URL> (228)
http://www.selleckchem.com/products/crizotinib-hydrochloride.html

$$$$

csChFnd80/06042111452D

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 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (229)
7967

>  <Formula> (229)
C21H27NO4

>  <MolWeight> (229)
357.44338

>  <Cat> (229)
S3479

>  <Name> (229)
R243

>  <Synonyms> (229)
N/A

>  <Target> (229)
CCR

>  <Form> (229)
Free Base

>  <CAS> (229)
688352-84-3

>  <URL> (229)
http://www.selleckchem.com/products/r243.html

$$$$

csChFnd80/06042111452D

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   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
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   12.1435    4.8857    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
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 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (230)
7978

>  <Formula> (230)
C17H15N3O6

>  <MolWeight> (230)
357.3175

>  <Cat> (230)
S4842

>  <Name> (230)
Balsalazide

>  <Synonyms> (230)
Colazal, Giazo

>  <Target> (230)
Immunology & Inflammation related

>  <Form> (230)
Free Base

>  <CAS> (230)
80573-04-2

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

$$$$
