untitled.cdx
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Linifanib (ABT-869)

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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

$$$$
Bosutinib (SKI-606).cdx
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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

$$$$
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>  <Mol_ID> (3)
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Lapatinib (GW-572016) Ditosylate

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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
csChFnd80/10112110482D

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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
csChFnd80/10112110482D

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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
csChFnd80/10112110482D

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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
csChFnd80/10112110482D

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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
csChFnd80/10112110482D

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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
csChFnd80/10112110482D

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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
csChFnd80/10112110482D

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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
csChFnd80/10112110482D

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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
csChFnd80/10112110482D

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>  <Mol_ID> (12)
132

>  <Formula> (12)
C22H16F3N3O2S

>  <MolWeight> (12)
443.4415496

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S1220

>  <Name> (12)
OSI-930

>  <Synonyms> (12)
N/A

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

>  <Form> (12)
Free Base

>  <CAS> (12)
728033-96-3

>  <URL> (12)
http://www.selleckchem.com/products/OSI-930.html

$$$$
Fludara (Fludarabine Phosphate).cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (13)
138

>  <Formula> (13)
C10H13FN5O7P

>  <MolWeight> (13)
365.2116842

>  <Cat> (13)
S1229

>  <Name> (13)
Fludarabine Phosphate (Fludara)

>  <Synonyms> (13)
N/A 

>  <Target> (13)
DNA/RNA Synthesis

>  <Form> (13)
Phosphate

>  <CAS> (13)
75607-67-9

>  <URL> (13)
http://www.selleckchem.com/products/Fludara.html

$$$$
resveratrol.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (14)
251

>  <Formula> (14)
C14H12O3

>  <MolWeight> (14)
228.24328

>  <Cat> (14)
S1396

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Resveratrol

>  <Synonyms> (14)
N/A

>  <Target> (14)
Sirtuin

>  <Form> (14)
Free Base

>  <CAS> (14)
501-36-0

>  <URL> (14)
http://www.selleckchem.com/products/Resveratrol.html

$$$$
SB525334.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (15)
297

>  <Formula> (15)
C21H21N5

>  <MolWeight> (15)
343.42494

>  <Cat> (15)
S1476

>  <Name> (15)
SB 525334

>  <Synonyms> (15)
N/A

>  <Target> (15)
TGF-beta/Smad

>  <Form> (15)
Free Base

>  <CAS> (15)
356559-20-1

>  <URL> (15)
http://www.selleckchem.com/products/SB-525334.html

$$$$
AEE-788.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (16)
304

>  <Formula> (16)
C27H32N6

>  <MolWeight> (16)
440.58318

>  <Cat> (16)
S1486

>  <Name> (16)
AEE788 (NVP-AEE788)

>  <Synonyms> (16)
N/A 

>  <Target> (16)
EGFR, Flt, VEGFR, HER2

>  <Form> (16)
Free Base

>  <CAS> (16)
497839-62-0

>  <URL> (16)
http://www.selleckchem.com/products/AEE788.html

$$$$
Fludarabine.cdx
csChFnd80/10112110482D

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    5.3789    1.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (17)
309

>  <Formula> (17)
C10H12FN5O4

>  <MolWeight> (17)
285.2317832

>  <Cat> (17)
S1491

>  <Name> (17)
Fludarabine (Fludara)

>  <Synonyms> (17)
F-ara-A, NSC 118218 

>  <Target> (17)
STAT, DNA/RNA Synthesis

>  <Form> (17)
Free Base

>  <CAS> (17)
21679-14-1

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

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/10112110482D

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    1.2082    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6646    5.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0646    5.1402    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7622    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1573    6.3484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7622    3.9320    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  2  0  0  0  0
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  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  2  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (18)
312

>  <Formula> (18)
C10H14N4O4

>  <MolWeight> (18)
254.24256

>  <Cat> (18)
S1504

>  <Name> (18)
Dyphylline (Dilor)

>  <Synonyms> (18)
Neothylline, Lufyllin, diprophylline

>  <Target> (18)
PDE

>  <Form> (18)
Free Base

>  <CAS> (18)
479-18-5

>  <URL> (18)
http://www.selleckchem.com/products/Dyphylline(Dilor).html

$$$$
DMXAA.cdx
csChFnd80/10112110482D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0580    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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 10  2  1  0  0  0  0
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 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (19)
332

>  <Formula> (19)
C17H14O4

>  <MolWeight> (19)
282.29066

>  <Cat> (19)
S1537

>  <Name> (19)
DMXAA (Vadimezan)

>  <Synonyms> (19)
AS-1404, 5,6-MeXAA, NSC-640488, Vadimezan 

>  <Target> (19)
VDA

>  <Form> (19)
Free Base

>  <CAS> (19)
117570-53-3

>  <URL> (19)
http://www.selleckchem.com/products/DMXAA(ASA404).html

$$$$
Artesunate.cdx
csChFnd80/10112110482D

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.5918    3.4838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2242    3.1843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7998    1.8501    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7430    0.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1106    1.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5350    2.4491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2103    4.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6140    6.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2519    6.3299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1497    5.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   11.1951    5.2953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
  1 12  1  6  0  0  0
  6 13  1  6  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  3  1  0  0  0  0
  3 17  1  6  0  0  0
  9 18  1  0  0  0  0
  2 19  1  6  0  0  0
 18 19  1  0  0  0  0
  9 20  1  1  0  0  0
 11 21  1  1  0  0  0
 16 22  1  1  0  0  0
 15 23  1  1  0  0  0
 23 24  1  0  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> (20)
391

>  <Formula> (20)
C19H28O8

>  <MolWeight> (20)
384.42082

>  <Cat> (20)
S2265

>  <Name> (20)
Artesunate

>  <Synonyms> (20)
N/A

>  <Target> (20)
STAT

>  <Form> (20)
Free Base

>  <CAS> (20)
88495-63-0

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

$$$$
AMINOPHYLLINE (aminophylline).cdx
csChFnd80/10112110482D

 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
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 10  5  1  0  0  0  0
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 13  9  1  0  0  0  0
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 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (21)
406

>  <Formula> (21)
C16H24N10O4

>  <MolWeight> (21)
420.42636

>  <Cat> (21)
S1673

>  <Name> (21)
Aminophylline (Truphylline)

>  <Synonyms> (21)
Somopphyllin, Aminocadol, Phyllocontin 

>  <Target> (21)
PDE

>  <Form> (21)
Ethylenediamine

>  <CAS> (21)
317-34-0 

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

$$$$
untitled.cdx
csChFnd80/10112110482D

 37 41  0  0  0  0  0  0  0  0999 V2000
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Maraviroc

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UK-427857, Celsentri 

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CCR5 

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Free Base

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376348-65-1

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

$$$$
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544

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S2752

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HER2 Inhibitor 1

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N/A

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HER2, EGFR

>  <Form> (23)
Free Base

>  <CAS> (23)
937265-83-3

>  <URL> (23)
http://www.selleckchem.com/products/arry-380.html

$$$$
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552

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>  <Synonyms> (24)
N/A

>  <Target> (24)
TGF-beta/Smad

>  <Form> (24)
Free Base

>  <CAS> (24)
452342-67-5

>  <URL> (24)
http://www.selleckchem.com/products/gw788388.html

$$$$
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231277-92-2

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

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TGF-beta/Smad 

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Free Base

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694433-59-5

>  <URL> (26)
http://www.selleckchem.com/products/sb-505124.html

$$$$
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TAK-285

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N/A

>  <Target> (27)
EGFR, HER2

>  <Form> (27)
Free Base

>  <CAS> (27)
871026-44-7

>  <URL> (27)
http://www.selleckchem.com/products/tak-285.html

$$$$
Istradefylline (KW-6002).cdx
csChFnd80/10112110482D

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Istradefylline (KW-6002)

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>  <Target> (28)
Adenosine Receptor

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Free Base

>  <CAS> (28)
155270-99-8

>  <URL> (28)
http://www.selleckchem.com/products/istradefylline-kw-6002.html

$$$$
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857064-38-1

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http://www.selleckchem.com/products/wp1066.html

$$$$
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Bindarit

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Others

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Free Base

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130641-38-2

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

$$$$
AG-879.cdx
csChFnd80/10112110482D

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Tyrphostin AG 879 (AG 879)

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N/A 

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HER2

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Free Base

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148741-30-4

>  <URL> (31)
http://www.selleckchem.com/products/tyrphostin-ag-879-ag-879.html

$$$$
Palmatine hydrochloride.cdx
csChFnd80/10112110482D

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630

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C21H22ClNO4

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387.85668

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S2397

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Palmatine chloride

>  <Synonyms> (32)
Palmatine hydrochloride

>  <Target> (32)
Others

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Chloride

>  <CAS> (32)
10605-02-4

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

$$$$
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671

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C23H25ClFN5O3

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AZD8931

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N/A

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EGFR, HER2

>  <Form> (33)
Free Base

>  <CAS> (33)
848942-61-0

>  <URL> (33)
http://www.selleckchem.com/products/AZD8931.html

$$$$
Mubritinib.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (34)
684

>  <Formula> (34)
C25H23F3N4O2

>  <MolWeight> (34)
468.4709296

>  <Cat> (34)
S2216

>  <Name> (34)
Mubritinib (TAK 165)

>  <Synonyms> (34)
TAK 165, TAK165

>  <Target> (34)
HER2

>  <Form> (34)
Free Base

>  <CAS> (34)
366017-09-6

>  <URL> (34)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (35)
689

>  <Formula> (35)
C22H18O11

>  <MolWeight> (35)
458.37172

>  <Cat> (35)
S2250

>  <Name> (35)
(-)-Epigallocatechin gallate

>  <Synonyms> (35)
EGCG

>  <Target> (35)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (35)
Free Base

>  <CAS> (35)
989-51-5

>  <URL> (35)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Cryptotanshinone.cdx
csChFnd80/10112110482D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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M  END
>  <Mol_ID> (36)
713

>  <Formula> (36)
C19H20O3

>  <MolWeight> (36)
296.3603

>  <Cat> (36)
S2285

>  <Name> (36)
Cryptotanshinone

>  <Synonyms> (36)
N/A

>  <Target> (36)
STAT

>  <Form> (36)
Free Base

>  <CAS> (36)
35825-57-1

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

$$$$
Hesperetin.cdx
csChFnd80/10112110482D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (37)
730

>  <Formula> (37)
C16H14O6

>  <MolWeight> (37)
302.27876

>  <Cat> (37)
S2308

>  <Name> (37)
Hesperetin

>  <Synonyms> (37)
N/A

>  <Target> (37)
Histamine Receptor

>  <Form> (37)
Free Base

>  <CAS> (37)
520-33-2

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

$$$$
Nobiletin.cdx
csChFnd80/10112110482D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (38)
749

>  <Formula> (38)
C21H22O8

>  <MolWeight> (38)
402.39458

>  <Cat> (38)
S2333

>  <Name> (38)
Nobiletin (Hexamethoxyflavone)

>  <Synonyms> (38)
N/A 

>  <Target> (38)
MMP

>  <Form> (38)
Free Base

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478-01-3

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GSK690693

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N/A

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Akt

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Free Base

>  <CAS> (40)
937174-76-0

>  <URL> (40)
http://www.selleckchem.com/products/GSK690693.html

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EGFR

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1110813-31-4

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>  <Mol_ID> (43)
1087

>  <Formula> (43)
C16H14BrN3O3

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WHI-P154

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>  <Target> (43)
JAK, EGFR

>  <Form> (43)
Free Base

>  <CAS> (43)
211555-04-3

>  <URL> (43)
http://www.selleckchem.com/products/whi-p154.html

$$$$
Inosine.cdx
csChFnd80/10112110482D

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1096

>  <Formula> (44)
C10H12N4O5

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S2442

>  <Name> (44)
Inosine

>  <Synonyms> (44)
N/A

>  <Target> (44)
Others

>  <Form> (44)
Free Base

>  <CAS> (44)
58-63-9

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

$$$$
Pirfenidone.cdx
csChFnd80/10112110482D

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1123

>  <Formula> (45)
C12H11NO

>  <MolWeight> (45)
185.22184

>  <Cat> (45)
S2907

>  <Name> (45)
Pirfenidone

>  <Synonyms> (45)
N/A

>  <Target> (45)
TGF-beta/Smad

>  <Form> (45)
Free Base

>  <CAS> (45)
53179-13-8

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

$$$$
PF477736.cdx
csChFnd80/10112110482D

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1150

>  <Formula> (46)
C22H25N7O2

>  <MolWeight> (46)
419.4796

>  <Cat> (46)
S2904

>  <Name> (46)
PF 477736

>  <Synonyms> (46)
PF-00477736

>  <Target> (46)
Chk

>  <Form> (46)
Free Base

>  <CAS> (46)
952021-60-2

>  <URL> (46)
http://www.selleckchem.com/products/pf-477736.html

$$$$
WZ 811.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (47)
1158

>  <Formula> (47)
C18H18N4

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290.36232

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S2912

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WZ 811

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N/A

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CXCR

>  <Form> (47)
Free Base

>  <CAS> (47)
55778-02-4

>  <URL> (47)
http://www.selleckchem.com/products/wz-811.html

$$$$
MICROSUL (sulfamethizole).cdx
csChFnd80/10112110482D

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Sulfamethizole (Proklar)

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Proklar

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Antifection

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Free Base

>  <CAS> (48)
144-82-1

>  <URL> (48)
http://www.selleckchem.com/products/Sulfamethizole(Proklar).html

$$$$
Pazopanib.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (49)
1230

>  <Formula> (49)
C21H23N7O2S

>  <MolWeight> (49)
437.51802

>  <Cat> (49)
S3012

>  <Name> (49)
Pazopanib

>  <Synonyms> (49)
N/A

>  <Target> (49)
VEGFR

>  <Form> (49)
Free Base

>  <CAS> (49)
444731-52-6

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

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (50)
1237

>  <Formula> (50)
C18H14N4O5S

>  <MolWeight> (50)
398.39256

>  <Cat> (50)
S1576

>  <Name> (50)
Sulfasalazine (Azulfidine)

>  <Synonyms> (50)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (50)
COX,NF-¦ÊB

>  <Form> (50)
Free Base

>  <CAS> (50)
599-79-1

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

$$$$
CGS-21680 hydrochloride.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (51)
1244

>  <Formula> (51)
C23H30ClN7O6

>  <MolWeight> (51)
535.9806

>  <Cat> (51)
S2153

>  <Name> (51)
CGS 21680 HCl

>  <Synonyms> (51)
N/A

>  <Target> (51)
5-alpha Reductase

>  <Form> (51)
Hydrochloride

>  <CAS> (51)
124431-80-7

>  <URL> (51)
http://www.selleckchem.com/products/CGS-21680-hydrochloride.html

$$$$
Doxofylline.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (52)
1359

>  <Formula> (52)
C11H14N4O4

>  <MolWeight> (52)
266.25326

>  <Cat> (52)
S4164

>  <Name> (52)
Doxofylline

>  <Synonyms> (52)
N/A

>  <Target> (52)
PDE

>  <Form> (52)
Free Base

>  <CAS> (52)
69975-86-6

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

$$$$
nifuroxazide.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (53)
1364

>  <Formula> (53)
C12H9N3O5

>  <MolWeight> (53)
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>  <Name> (53)
Nifuroxazide

>  <Synonyms> (53)
N/A

>  <Target> (53)
STAT

>  <Form> (53)
Free Base

>  <CAS> (53)
965-52-6

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

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (54)
1446

>  <Formula> (54)
C11H12N4O3S

>  <MolWeight> (54)
280.30298

>  <Cat> (54)
S4250

>  <Name> (54)
Sulfamethoxypyridazine

>  <Synonyms> (54)
N/A

>  <Target> (54)
Antifection

>  <Form> (54)
Free Base

>  <CAS> (54)
80-35-3

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

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/10112110482D

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>  <Mol_ID> (55)
1521

>  <Formula> (55)
C24H25ClFN5O3

>  <MolWeight> (55)
485.9384032

>  <Cat> (55)
S1011

>  <Name> (55)
Afatinib (BIBW2992)

>  <Synonyms> (55)
N/A

>  <Target> (55)
EGFR

>  <Form> (55)
Free Base

>  <CAS> (55)
439081-18-2

>  <URL> (55)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (56)
1535

>  <Formula> (56)
C25H31N7O6

>  <MolWeight> (56)
525.55694

>  <Cat> (56)
S2018

>  <Name> (56)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (56)
N/A

>  <Target> (56)
FLT3

>  <Form> (56)
Free Base

>  <CAS> (56)
1291074-87-7

>  <URL> (56)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
PF-2341066.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (57)
1542

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C21H22Cl2FN5O

>  <MolWeight> (57)
450.3366832

>  <Cat> (57)
S1068

>  <Name> (57)
Crizotinib (PF-02341066)

>  <Synonyms> (57)
N/A 

>  <Target> (57)
c-Met, ALK

>  <Form> (57)
Free Base

>  <CAS> (57)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (57)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
BMS-599626 (AC480).cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (58)
1552

>  <Formula> (58)
C27H27FN8O3

>  <MolWeight> (58)
530.5534832

>  <Cat> (58)
S1056

>  <Name> (58)
AC480 (BMS-599626)

>  <Synonyms> (58)
N/A

>  <Target> (58)
HER2

>  <Form> (58)
Free Base

>  <CAS> (58)
714971-09-2

>  <URL> (58)
http://www.selleckchem.com/products/BMS-599626.html

$$$$
S4719 Kynurenic acid.cdx
csChFnd80/10112110482D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (59)
1691

>  <Formula> (59)
C10H7NO3

>  <MolWeight> (59)
189.16748

>  <Cat> (59)
S4719

>  <Name> (59)
Kynurenic acid

>  <Synonyms> (59)
Quinurenic acid|Kynurenate

>  <Target> (59)
Others

>  <Form> (59)
Free Base

>  <CAS> (59)
492-27-3

>  <URL> (59)
http://www.selleckchem.com/products/kynurenic-acid.html

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/10112110482D

 30 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (60)
1825

>  <Formula> (60)
C17H17N3Na2O8

>  <MolWeight> (60)
437.31172

>  <Cat> (60)
S3745

>  <Name> (60)
Balsalazide disodium

>  <Synonyms> (60)
N/A

>  <Target> (60)
Immunology & Inflammation related

>  <Form> (60)
disodium salt dihydrate

>  <CAS> (60)
150399-21-6

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

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/10112110482D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (61)
1868

>  <Formula> (61)
C18H22O4

>  <MolWeight> (61)
302.36488

>  <Cat> (61)
S3984

>  <Name> (61)
Nordihydroguaiaretic acid

>  <Synonyms> (61)
N/A

>  <Target> (61)
lipoxygenase

>  <Form> (61)
free base

>  <CAS> (61)
500-38-9

>  <URL> (61)
http://www.selleckchem.com/products/nordihydroguaiaretic-acid.html

$$$$
S3840 Baohuoside I.cdx
csChFnd80/10112110482D

 37 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (62)
1892

>  <Formula> (62)
C27H30O10

>  <MolWeight> (62)
514.5211

>  <Cat> (62)
S3840

>  <Name> (62)
Baohuoside I

>  <Synonyms> (62)
Icariside II

>  <Target> (62)
ROS

>  <CAS> (62)
113558-15-9

>  <URL> (62)
http://www.selleckchem.com/products/baohuoside-i.html

$$$$
S3769 Palmatine.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (63)
1899

>  <Formula> (63)
C21H22NO4+

>  <MolWeight> (63)
352.40368

>  <Cat> (63)
S3769

>  <Name> (63)
Palmatine

>  <Synonyms> (63)
Berbericinine, Burasaine

>  <Target> (63)
AChE,BChE 

>  <Form> (63)
free base

>  <CAS> (63)
3486-67-7

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

$$$$
S3888 3,4`,5-Trimethoxy-trans-stilbene.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (64)
1942

>  <Formula> (64)
C17H18O3

>  <MolWeight> (64)
270.32302

>  <Cat> (64)
S3888

>  <Name> (64)
3,4',5-Trimethoxy-trans-stilbene

>  <Synonyms> (64)
MR-3

>  <Target> (64)
Others

>  <Form> (64)
free base

>  <CAS> (64)
22255-22-7

>  <URL> (64)
http://www.selleckchem.com/products/3-4-5-trimethoxy-trans-stilbene.html

$$$$
S3804 Alpha-Mangostin.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (65)
1957

>  <Formula> (65)
C24H26O6

>  <MolWeight> (65)
410.45964

>  <Cat> (65)
S3804

>  <Name> (65)
Alpha-Mangostin

>  <Synonyms> (65)
N/A

>  <Target> (65)
Others

>  <Form> (65)
free base

>  <CAS> (65)
1551491

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

$$$$
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csChFnd80/10112110482D

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>  <Mol_ID> (66)
1987

>  <Formula> (66)
C26H27N5O2

>  <MolWeight> (66)
441.52488

>  <Cat> (66)
S2704

>  <Name> (66)
LY2109761

>  <Synonyms> (66)
N/A

>  <Target> (66)
TGF-beta/Smad

>  <Form> (66)
Free Base

>  <CAS> (66)
700874-71-1 

>  <URL> (66)
http://www.selleckchem.com/products/ly2109761.html

$$$$
Plerixafor 8HCl.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (67)
1989

>  <Formula> (67)
C28H62Cl8N8

>  <MolWeight> (67)
794.46948

>  <Cat> (67)
S3013

>  <Name> (67)
Plerixafor 8HCl (DB06809)

>  <Synonyms> (67)
AMD3100 

>  <Target> (67)
CXCR

>  <Form> (67)
Octahydrochloride 

>  <CAS> (67)
155148-31-5

>  <URL> (67)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

$$$$
LY364947.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (68)
1991

>  <Formula> (68)
C17H12N4

>  <MolWeight> (68)
272.30398

>  <Cat> (68)
S2805

>  <Name> (68)
LY364947

>  <Synonyms> (68)
N/A

>  <Target> (68)
TGF-beta/Smad

>  <Form> (68)
Free Base

>  <CAS> (68)
396129-53-6

>  <URL> (68)
http://www.selleckchem.com/products/ly364947.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (69)
2025

>  <Formula> (69)
C18H32ClN3O8P2

>  <MolWeight> (69)
515.862502

>  <Cat> (69)
S4157

>  <Name> (69)
Chloroquine Phosphate

>  <Synonyms> (69)
N/A

>  <Target> (69)
Others

>  <Form> (69)
Diphosphate

>  <CAS> (69)
50-63-5

>  <URL> (69)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (70)
2047

>  <Formula> (70)
C54H92O23

>  <MolWeight> (70)
1109.29448

>  <Cat> (70)
S3924

>  <Name> (70)
Ginsenoside Rb1

>  <Synonyms> (70)
Gypenoside ¢ó

>  <Target> (70)
Others

>  <Form> (70)
free base

>  <CAS> (70)
41753-43-9

>  <URL> (70)
http://www.selleckchem.com/products/ginsenoside-rb1.html

$$$$
S4785 Nicotinamide N-oxide.cdx
csChFnd80/10112110482D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (71)
2092

>  <Formula> (71)
C6H6N2O2

>  <MolWeight> (71)
138.12404

>  <Cat> (71)
S4785

>  <Name> (71)
Nicotinamide N-oxide

>  <Synonyms> (71)
Nicotinamide 1-oxide, 1-oxynicotinamide, 1-Oxy-nicotinamide

>  <Target> (71)
Others

>  <Form> (71)
free base

>  <CAS> (71)
1986-81-8

>  <URL> (71)
http://www.selleckchem.com/products/nicotinamide-n-oxide.html

$$$$
S3951 Tannic acid.cdx
csChFnd80/10112110482D

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   14.7438    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5352    2.4220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5534   23.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4642   21.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953   20.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9430    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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 63 73  1  0  0  0  0
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 66 77  1  0  0  0  0
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 91103  1  0  0  0  0
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 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> (72)
2121

>  <Formula> (72)
C76H52O46

>  <MolWeight> (72)
1701.19848

>  <Cat> (72)
S3951

>  <Name> (72)
Tannic acid

>  <Synonyms> (72)
Gallotannic acid

>  <Target> (72)
CXCR4 

>  <Form> (72)
free base

>  <CAS> (72)
1401-55-4

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

$$$$
S3988 Theophylline-7-acetic acid.cdx
csChFnd80/10112110482D

 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
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 13 16  1  0  0  0  0
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M  END
>  <Mol_ID> (73)
2136

>  <Formula> (73)
C9H10N4O4

>  <MolWeight> (73)
238.2001

>  <Cat> (73)
S3988

>  <Name> (73)
Theophylline-7-acetic acid

>  <Synonyms> (73)
Acefylline, acetyloxytheophylline, Carboxymethyltheophylline

>  <Target> (73)
adenosine receptor

>  <Form> (73)
free base

>  <CAS> (73)
652-37-9

>  <URL> (73)
http://www.selleckchem.com/products/theophylline-7-acetic.html

$$$$
S4932 Proxyphylline.cdx
csChFnd80/10112110482D

 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
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  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> (74)
2180

>  <Formula> (74)
C10H14N4O3

>  <MolWeight> (74)
238.24316

>  <Cat> (74)
S4932

>  <Name> (74)
Proxyphylline

>  <Synonyms> (74)
Monophylline, Spasmolysin

>  <Target> (74)
Adenosine Receptor

>  <Form> (74)
free base

>  <CAS> (74)
603-00-9

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

$$$$
S3810 Scutellarin.cdx
csChFnd80/10112110482D

 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
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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
  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> (75)
2274

>  <Formula> (75)
C21H18O12

>  <MolWeight> (75)
462.36042

>  <Cat> (75)
S3810

>  <Name> (75)
Scutellarin

>  <Synonyms> (75)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (75)
Others

>  <Form> (75)
free base

>  <CAS> (75)
27740-01-8

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

$$$$
untitled.cdx
csChFnd80/10112110482D

 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
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>  <Mol_ID> (76)
2275

>  <Formula> (76)
C24H25ClFN5O3

>  <MolWeight> (76)
485.9384032

>  <Cat> (76)
S1019

>  <Name> (76)
CI-1033 (Canertinib)

>  <Synonyms> (76)
PD-183805 

>  <Target> (76)
EGFR, HER2

>  <Form> (76)
Free Base

>  <CAS> (76)
267243-28-7

>  <URL> (76)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$

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>  <Mol_ID> (77)
2311

>  <Formula> (77)
C24H22F3N5O5

>  <MolWeight> (77)
517.4571896

>  <Cat> (77)
S8015

>  <Name> (77)
CEP-32496

>  <Synonyms> (77)
N/A

>  <Target> (77)
Raf

>  <Form> (77)
Free Base

>  <CAS> (77)
1188910-76-0

>  <URL> (77)
http://www.selleckchem.com/products/cep-32496.html

$$$$
Plerixafor.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (78)
2322

>  <Formula> (78)
C28H54N8

>  <MolWeight> (78)
502.78196

>  <Cat> (78)
S8030

>  <Name> (78)
Plerixafor

>  <Synonyms> (78)
N/A

>  <Target> (78)
CXCR

>  <Form> (78)
Free Base

>  <CAS> (78)
110078-46-1

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

$$$$
Necrostatin-1.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (79)
2328

>  <Formula> (79)
C13H13N3OS

>  <MolWeight> (79)
259.32682

>  <Cat> (79)
S8037

>  <Name> (79)
Necrostatin-1

>  <Synonyms> (79)
N/A

>  <Target> (79)
TNF-alpha

>  <Form> (79)
Free Base

>  <CAS> (79)
4311-88-0

>  <URL> (79)
http://www.selleckchem.com/products/necrostatin-1.html

$$$$
STATTIC.cdx
csChFnd80/10112110482D

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STAT

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19983-44-9

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

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GW2580

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N/A

>  <Target> (81)
CSF-1R

>  <Form> (81)
Free Base

>  <CAS> (81)
870483-87-7

>  <URL> (81)
http://www.selleckchem.com/products/gw2580.html

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Butein.cdx
csChFnd80/10112110482D

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C15H12O5

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Butein

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EGFR

>  <Form> (82)
Free Base

>  <CAS> (82)
487-52-5

>  <URL> (82)
https://www.selleckchem.com/products/butein.html

$$$$
Imiquimod.cdx
csChFnd80/10112110482D

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Imiquimod

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Aldara

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Immunology & Inflammation related

>  <Form> (83)
Free Base

>  <CAS> (83)
99011-02-6

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

$$$$
Neratinib.cdx
csChFnd80/10112110482D

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>  <Synonyms> (84)
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>  <Target> (84)
HER2, EGFR

>  <Form> (84)
Free Base

>  <CAS> (84)
698387-09-6

>  <URL> (84)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

$$$$
Ticlopidine hydrochloride.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (85)
2446

>  <Formula> (85)
C14H15Cl2NS

>  <MolWeight> (85)
300.2466

>  <Cat> (85)
S1984

>  <Name> (85)
Ticlopidine hydrochloride

>  <Synonyms> (85)
N/A

>  <Target> (85)
P2 Receptor

>  <Form> (85)
Hydrochloride

>  <CAS> (85)
53885-35-1

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

$$$$
NLG-919.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (86)
2465

>  <Formula> (86)
C18H22N2O

>  <MolWeight> (86)
282.38008

>  <Cat> (86)
S7111

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NLG919

>  <Synonyms> (86)
N/A

>  <Target> (86)
IDO

>  <Form> (86)
Free Base

>  <CAS> (86)
1402836-58-1

>  <URL> (86)
http://www.selleckchem.com/products/nlg919.html

$$$$
RTA 408.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (87)
2499

>  <Formula> (87)
C33H44F2N2O3

>  <MolWeight> (87)
554.7108664

>  <Cat> (87)
S7672

>  <Name> (87)
Omaveloxolone (RTA-408)

>  <Synonyms> (87)
N/A

>  <Target> (87)
NF-¦ÊB

>  <Form> (87)
Free Base

>  <CAS> (87)
1474034-05-3

>  <URL> (87)
http://www.selleckchem.com/products/omaveloxolone-rta-408.html

$$$$
Epacadostat (INCB024360).cdx
csChFnd80/10112110482D

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>  <Mol_ID> (88)
2501

>  <Formula> (88)
C11H13BrFN7O4S

>  <MolWeight> (88)
438.2328232

>  <Cat> (88)
S7910

>  <Name> (88)
Epacadostat (INCB024360)

>  <Synonyms> (88)
N/A

>  <Target> (88)
IDO

>  <Form> (88)
Free Base

>  <CAS> (88)
1204669-58-8

>  <URL> (88)
http://www.selleckchem.com/products/epacadostat-incb024360.html

$$$$
FLLL32.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (89)
2509

>  <Formula> (89)
C28H32O6

>  <MolWeight> (89)
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>  <Cat> (89)
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>  <Name> (89)
FLLL32

>  <Synonyms> (89)
N/A

>  <Target> (89)
JAK

>  <Form> (89)
Free Base

>  <CAS> (89)
1226895-15-3

>  <URL> (89)
http://www.selleckchem.com/products/flll32.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/10112110482D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (90)
2516

>  <Formula> (90)
C11H10N2O2S

>  <MolWeight> (90)
234.2743

>  <Cat> (90)
S7914

>  <Name> (90)
Isoxazole 9 (ISX-9)

>  <Synonyms> (90)
N/A

>  <Target> (90)
Others

>  <Form> (90)
Free Base

>  <CAS> (90)
832115-62-5

>  <URL> (90)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
PD-L1 inhibitor 2.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (91)
2522

>  <Formula> (91)
C25H29N3O3

>  <MolWeight> (91)
419.51606

>  <Cat> (91)
S7912

>  <Name> (91)
BMS202 (PD-1/PD-L1 inhibitor 2)

>  <Synonyms> (91)
N/A

>  <Target> (91)
PD-1/PD-L1

>  <Form> (91)
Free Base

>  <CAS> (91)
1675203-84-5

>  <URL> (91)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-2.html

$$$$
T0901317.cdx
csChFnd80/10112110482D

 31 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (92)
2603

>  <Formula> (92)
C17H12F9NO3S

>  <MolWeight> (92)
481.3327088

>  <Cat> (92)
S7076

>  <Name> (92)
T0901317

>  <Synonyms> (92)
N/A

>  <Target> (92)
Liver X Receptor

>  <Form> (92)
Free Base

>  <CAS> (92)
293754-55-9

>  <URL> (92)
http://www.selleckchem.com/products/t0901317.html

$$$$
SC144.cdx
csChFnd80/10112110482D

 24 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (93)
2605

>  <Formula> (93)
C16H11FN6O

>  <MolWeight> (93)
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>  <Cat> (93)
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>  <Name> (93)
SC144

>  <Synonyms> (93)
N/A

>  <Target> (93)
P-gp

>  <Form> (93)
Free Base

>  <CAS> (93)
895158-95-9

>  <URL> (93)
http://www.selleckchem.com/products/sc144.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/10112110482D

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>  <Formula> (94)
C17H13N5

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S7223

>  <Name> (94)
RepSox

>  <Synonyms> (94)
E-616452, SJN 2511

>  <Target> (94)
TGF-beta/Smad

>  <Form> (94)
Free Base

>  <CAS> (94)
446859-33-2

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

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/10112110482D

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>  <Mol_ID> (95)
2633

>  <Formula> (95)
C24H27Cl2N5O

>  <MolWeight> (95)
472.41008

>  <Cat> (95)
S7306

>  <Name> (95)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (95)
BML-275,Compound C

>  <Target> (95)
AMPK

>  <Form> (95)
Dihydrochloride

>  <CAS> (95)
1219168-18-9

>  <URL> (95)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
pimozide.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (96)
2677

>  <Formula> (96)
C28H29F2N3O

>  <MolWeight> (96)
461.5461664

>  <Cat> (96)
S4358

>  <Name> (96)
pimozide

>  <Synonyms> (96)
N/A

>  <Target> (96)
Others

>  <Form> (96)
Free Base

>  <CAS> (96)
2062-78-4

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

$$$$
LM-3151 K 02288.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (97)
2733

>  <Formula> (97)
C20H20N2O4

>  <MolWeight> (97)
352.3838

>  <Cat> (97)
S7359

>  <Name> (97)
K02288

>  <Synonyms> (97)
N/A

>  <Target> (97)
TGF-beta/Smad

>  <Form> (97)
Free Base

>  <CAS> (97)
1431985-92-0

>  <URL> (97)
http://www.selleckchem.com/products/k02288.html

$$$$
LDN193189 HCl.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (98)
2754

>  <Formula> (98)
C25H23ClN6

>  <MolWeight> (98)
442.94332

>  <Cat> (98)
S7507

>  <Name> (98)
LDN193189 HCl

>  <Synonyms> (98)
N/A

>  <Target> (98)
TGF-beta/Smad

>  <Form> (98)
Hydrochloride

>  <CAS> (98)
1062368-62-0

>  <URL> (98)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
ML347.cdx
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IDO

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http://www.selleckchem.com/products/incb024360.html

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1352608-82-2

>  <URL> (105)
http://www.selleckchem.com/products/ew-7197.html

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Kartogenin.cdx
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4727-31-5

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

$$$$
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>  <Name> (107)
Hydroxychloroquine Sulfate

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N/A

>  <Target> (107)
Autophagy

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Sulfate

>  <CAS> (107)
747-36-4

>  <URL> (107)
http://www.selleckchem.com/products/hydroxychloroquine-sulfate.html

$$$$
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csChFnd80/10112110482D

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SB225002

>  <Synonyms> (108)
N/A

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CXCR

>  <Form> (108)
Free Base

>  <CAS> (108)
182498-32-4

>  <URL> (108)
http://www.selleckchem.com/products/sb225002.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/10112110482D

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2947

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C23H21Cl2FN4O3

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S7358

>  <Name> (109)
Poziotinib (HM781-36B)

>  <Synonyms> (109)
NOV120101

>  <Target> (109)
EGFR

>  <Form> (109)
Free Base

>  <CAS> (109)
1092364-38-9

>  <URL> (109)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
SD208.cdx
csChFnd80/10112110482D

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N/A

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TGF-beta/Smad

>  <Form> (110)
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>  <CAS> (110)
627536-09-8

>  <URL> (110)
http://www.selleckchem.com/products/sd-208.html

$$$$
Indoximod.cdx
csChFnd80/10112110482D

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C12H14N2O2

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Indoximod (NLG-8189)

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1-Methyl-D-tryptophan

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IDO

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>  <CAS> (111)
110117-83-4

>  <URL> (111)
http://www.selleckchem.com/products/indoximod-nlg-8189.html

$$$$
BLZ945.cdx
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>  <Mol_ID> (112)
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>  <Synonyms> (112)
N/A

>  <Target> (112)
CSF-1R

>  <Form> (112)
Free Base

>  <CAS> (112)
953769-46-5

>  <URL> (112)
http://www.selleckchem.com/products/blz945.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (113)
3005

>  <Formula> (113)
C32H33ClFN5O11

>  <MolWeight> (113)
718.0827232

>  <Cat> (113)
S7810

>  <Name> (113)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (113)
N/A

>  <Target> (113)
EGFR

>  <Form> (113)
Dimaleate

>  <CAS> (113)
850140-73-7

>  <URL> (113)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
LDN-214117.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (114)
3011

>  <Formula> (114)
C25H29N3O3

>  <MolWeight> (114)
419.51606

>  <Cat> (114)
S7627

>  <Name> (114)
LDN-214117

>  <Synonyms> (114)
N/A

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

>  <Form> (114)
Free Base

>  <CAS> (114)
1627503-67-6

>  <URL> (114)
http://www.selleckchem.com/products/ldn-214117.html

$$$$
PLX3397.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (115)
3035

>  <Formula> (115)
C20H15ClF3N5

>  <MolWeight> (115)
417.8148096

>  <Cat> (115)
S7818

>  <Name> (115)
Pexidartinib (PLX3397)

>  <Synonyms> (115)
N/A

>  <Target> (115)
CSF-1R

>  <Form> (115)
Free Base

>  <CAS> (115)
1029044-16-3

>  <URL> (115)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

$$$$
Dorsomorphin.cdx
csChFnd80/10112110482D

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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
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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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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (116)
3040

>  <Formula> (116)
C24H25N5O

>  <MolWeight> (116)
399.4882

>  <Cat> (116)
S7840

>  <Name> (116)
Dorsomorphin (Compound C)

>  <Synonyms> (116)
Compound C, BML-275

>  <Target> (116)
AMPK

>  <Form> (116)
Free Base

>  <CAS> (116)
866405-64-3

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

$$$$
BBI608(Napabucasin.cdx
csChFnd80/10112110482D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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    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> (117)
3048

>  <Formula> (117)
C14H8O4

>  <MolWeight> (117)
240.21092

>  <Cat> (117)
S7977

>  <Name> (117)
Napabucasin

>  <Synonyms> (117)
N/A

>  <Target> (117)
STAT

>  <Form> (117)
Free Base

>  <CAS> (117)
83280-65-3

>  <URL> (117)
http://www.selleckchem.com/products/napabucasin-bbi608.html

$$$$
VTX-2337.cdx
csChFnd80/10112110482D

 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
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    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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   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
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  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
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 29 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (118)
3069

>  <Formula> (118)
C28H34N4O2

>  <MolWeight> (118)
458.59516

>  <Cat> (118)
S7161

>  <Name> (118)
Motolimod (VTX-2337)

>  <Synonyms> (118)
N/A

>  <Target> (118)
TLR

>  <Form> (118)
Free Base

>  <CAS> (118)
926927-61-9

>  <URL> (118)
http://www.selleckchem.com/products/motolimod-vtx-2337.html

$$$$
Resiquimod.cdx
csChFnd80/10112110482D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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 10  6  1  0  0  0  0
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  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
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 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> (119)
3082

>  <Formula> (119)
C17H22N4O2

>  <MolWeight> (119)
314.38218

>  <Cat> (119)
S8133

>  <Name> (119)
Resiquimod

>  <Synonyms> (119)
R-848

>  <Target> (119)
TLR

>  <Form> (119)
Free Base

>  <CAS> (119)
144875-48-9

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

$$$$
SCH58261.cdx
csChFnd80/10112110482D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 25 26  2  0  0  0  0
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M  END
>  <Mol_ID> (120)
3105

>  <Formula> (120)
C18H15N7O

>  <MolWeight> (120)
345.358

>  <Cat> (120)
S8104

>  <Name> (120)
SCH58261

>  <Synonyms> (120)
N/A

>  <Target> (120)
Adenosine Receptor

>  <Form> (120)
Free Base

>  <CAS> (120)
160098-96-4

>  <URL> (120)
http://www.selleckchem.com/products/sch58261.html

$$$$
STA-21.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (121)
3107

>  <Formula> (121)
C19H14O4

>  <MolWeight> (121)
306.31206

>  <Cat> (121)
S7951

>  <Name> (121)
STA-21

>  <Synonyms> (121)
N/A

>  <Target> (121)
STAT

>  <Form> (121)
Free Base

>  <CAS> (121)
111540-00-2

>  <URL> (121)
http://www.selleckchem.com/products/sta-21.html

$$$$
BEC Hydrochloride.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (122)
3114

>  <Formula> (122)
C5H13BClNO4S

>  <MolWeight> (122)
229.49002

>  <Cat> (122)
S7929

>  <Name> (122)
BEC Hydrochloride

>  <Synonyms> (122)
N/A

>  <Target> (122)
Others

>  <Form> (122)
hydrochloride salt

>  <CAS> (122)
222638-67-7

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

$$$$
PD-1PD-L1 inhibitor 1.cdx
csChFnd80/10112110482D

 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> (123)
3116

>  <Formula> (123)
C29H33NO5

>  <MolWeight> (123)
475.57602

>  <Cat> (123)
S7911

>  <Name> (123)
PD-1/PD-L1 inhibitor 1

>  <Synonyms> (123)
N/A

>  <Target> (123)
PD-1/PD-L1

>  <Form> (123)
Free Base

>  <CAS> (123)
1675201-83-8

>  <URL> (123)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-1.html

$$$$
Halofuginone.cdx
csChFnd80/10112110482D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (124)
3138

>  <Formula> (124)
C16H17BrClN3O3

>  <MolWeight> (124)
414.68148

>  <Cat> (124)
S8144

>  <Name> (124)
Halofuginone

>  <Synonyms> (124)
N/A

>  <Target> (124)
Others

>  <Form> (124)
Free Base

>  <CAS> (124)
55837-20-2

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

$$$$
ZM241385.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (125)
3184

>  <Formula> (125)
C16H15N7O2

>  <MolWeight> (125)
337.336

>  <Cat> (125)
S8105

>  <Name> (125)
ZM241385

>  <Synonyms> (125)
N/A
N/A

>  <Target> (125)
Adenosine Receptor

>  <Form> (125)
Free Base

>  <CAS> (125)
139180-30-6

>  <URL> (125)
http://www.selleckchem.com/products/zm241385.html

$$$$
SIS3.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (126)
3236

>  <Formula> (126)
C28H28ClN3O3

>  <MolWeight> (126)
489.99322

>  <Cat> (126)
S7959

>  <Name> (126)
SIS3 HCl

>  <Synonyms> (126)
N/A

>  <Target> (126)
TGF-beta/Smad

>  <Form> (126)
hydrochloride

>  <CAS> (126)
521984-48-5

>  <URL> (126)
http://www.selleckchem.com/products/sis3.html

$$$$
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1337878-62-2

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http://www.selleckchem.com/products/ati-2341.html

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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> (129)
http://www.selleckchem.com/products/zk756326.html

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C15H20O2

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Alantolactone

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helenin, helenine, Eupatal

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Free Base

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546-43-0

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

$$$$
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csChFnd80/10112110482D

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C16H14BrNO5S

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NT157

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N/A

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IGF-1R

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Free Base

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1384426-12-3

>  <URL> (131)
http://www.selleckchem.com/products/nt157.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
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C26H24N8O2

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ARRY-380 (ONT-380)

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HER2

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937263-43-9

>  <URL> (132)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
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1316695-35-8

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http://www.selleckchem.com/products/lm10.html

$$$$
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csChFnd80/10112110482D

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FGFR

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1346242-81-6

>  <URL> (134)
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M  END
>  <Mol_ID> (138)
3352

>  <Formula> (138)
C24H44Br6N6

>  <MolWeight> (138)
896.07036

>  <Cat> (138)
S2879

>  <Name> (138)
AMD3465 hexahydrobromide

>  <Synonyms> (138)
N/A

>  <Target> (138)
CXCR

>  <Form> (138)
HBr

>  <CAS> (138)
185991-07-5, 185991-24-6 (free base)

>  <URL> (138)
http://www.selleckchem.com/products/amd3465.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (139)
3367

>  <Formula> (139)
C15H18O2

>  <MolWeight> (139)
230.30222

>  <Cat> (139)
S8291

>  <Name> (139)
Atractylenolide I

>  <Synonyms> (139)
N/A

>  <Target> (139)
Immunology & Inflammation related

>  <Form> (139)
Free Base

>  <CAS> (139)
73069-13-3
73069-13-3

>  <URL> (139)
http://www.selleckchem.com/products/atractylenolide-i.html

$$$$
DAPTA.cdx
csChFnd80/10112110482D

 64 64  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (140)
3399

>  <Formula> (140)
C35H56N10O15

>  <MolWeight> (140)
856.87714

>  <Cat> (140)
S8501

>  <Name> (140)
DAPTA

>  <Synonyms> (140)
D-Ala-peptide T-amide, peptide T

>  <Target> (140)
gp120 Bal-CCR5,CM235-CCR5

>  <Form> (140)
free base

>  <CAS> (140)
106362-34-9

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

$$$$
AUNP-12.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (141)
3412

>  <Formula> (141)
C142H226N40O48

>  <MolWeight> (141)
3261.55304

>  <Cat> (141)
S8549

>  <Name> (141)
AUNP-12

>  <Synonyms> (141)
Aur-012, Aurigene-012, Aurigene NP-12

>  <Target> (141)
PD-1

>  <CAS> (141)
1353563-85-5

>  <URL> (141)
http://www.selleckchem.com/products/aunp-12.html

$$$$
HJC0152.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (142)
3444

>  <Formula> (142)
C15H14Cl3N3O4

>  <MolWeight> (142)
406.64836

>  <Cat> (142)
S8561

>  <Name> (142)
HJC0152

>  <Synonyms> (142)
N/A

>  <Target> (142)
STAT3

>  <Form> (142)
hydrochloride

>  <CAS> (142)
1420290-99-8

>  <URL> (142)
http://www.selleckchem.com/products/hjc0152.html

$$$$
PRN1371.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (143)
3448

>  <Formula> (143)
C26H30Cl2N6O4

>  <MolWeight> (143)
561.4602

>  <Cat> (143)
S8578

>  <Name> (143)
PRN1371

>  <Synonyms> (143)
N/A

>  <Target> (143)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (143)
free base

>  <CAS> (143)
1802929-43-6

>  <URL> (143)
http://www.selleckchem.com/products/prn1371.html

$$$$
CPI-444.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (144)
3465

>  <Formula> (144)
C16H12FN5O

>  <MolWeight> (144)
309.2977832

>  <Cat> (144)
S8575

>  <Name> (144)
A2AR antagonist 1

>  <Synonyms> (144)
N/A

>  <Target> (144)
A2AR,A1R

>  <Form> (144)
free base

>  <CAS> (144)
443103-97-7

>  <URL> (144)
http://www.selleckchem.com/products/a2ar-antagonist-1.html

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/10112110482D

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266359-83-5

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>  <URL> (146)
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free base

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198474-05-4

>  <URL> (147)
http://www.selleckchem.com/products/pf-06840003.html

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432001-19-9

>  <URL> (148)
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 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (149)
3531

>  <Formula> (149)
C29H35N7O

>  <MolWeight> (149)
497.6345

>  <Cat> (149)
S8557

>  <Name> (149)
IDO inhibitor 1

>  <Synonyms> (149)
N/A

>  <Target> (149)
IDO

>  <Form> (149)
free base

>  <CAS> (149)
1668565-74-9

>  <URL> (149)
http://www.selleckchem.com/products/mucic-acid.html

$$$$
GO-203.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (150)
3569

>  <Formula> (150)
C89H171F3N52O21S2

>  <MolWeight> (150)
2426.7710496

>  <Cat> (150)
S8674

>  <Name> (150)
GO-203

>  <Synonyms> (150)
N/A

>  <Target> (150)
MUC-1C

>  <Form> (150)
trifluoroacetate

>  <CAS> (150)
1222186-26-6

>  <URL> (150)
http://www.selleckchem.com/products/go-203.html

$$$$
S5249 Coptisine chloride.cdx
csChFnd80/10112110482D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (151)
3633

>  <Formula> (151)
C19H14ClNO4

>  <MolWeight> (151)
355.77176

>  <Cat> (151)
S5249

>  <Name> (151)
Coptisine chloride

>  <Synonyms> (151)
Q-100696, NSC-119754

>  <Target> (151)
Others

>  <Form> (151)
chloride 

>  <CAS> (151)
6020-18-4

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

$$$$
AS1517499.cdx
csChFnd80/10112110482D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (152)
3659

>  <Formula> (152)
C20H20ClN5O2

>  <MolWeight> (152)
397.8581

>  <Cat> (152)
S8685

>  <Name> (152)
AS1517499

>  <Synonyms> (152)
N/A

>  <Target> (152)
STAT

>  <Form> (152)
free base

>  <CAS> (152)
919486-40-1

>  <URL> (152)
http://selleckchem.com/products/as1517499.html

$$$$
Cu-CPT22.cdx
csChFnd80/10112110482D

 26 27  0  0  0  0  0  0  0  0999 V2000
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 10 11  2  0  0  0  0
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M  END
>  <Mol_ID> (153)
3687

>  <Formula> (153)
C19H22O7

>  <MolWeight> (153)
362.37378

>  <Cat> (153)
S8677

>  <Name> (153)
Cu-CPT22

>  <Synonyms> (153)
N/A

>  <Target> (153)
TLR

>  <Form> (153)
free base

>  <CAS> (153)
1416324-85-0

>  <URL> (153)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/10112110482D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (154)
3714

>  <Formula> (154)
C10H16N5O8P

>  <MolWeight> (154)
365.236501

>  <Cat> (154)
S5284

>  <Name> (154)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (154)
5'-Adenylic acid, 5'-AMP

>  <Target> (154)
AMPK

>  <Form> (154)
hydrate 

>  <CAS> (154)
18422-05-4

>  <URL> (154)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
DCC-2618.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (155)
3796

>  <Formula> (155)
C26H21F2N5O3

>  <MolWeight> (155)
489.4734464

>  <Cat> (155)
S8721

>  <Name> (155)
DCC-2618

>  <Synonyms> (155)
N/A

>  <Target> (155)
c-Kit

>  <CAS> (155)
 1225278-16-9

>  <URL> (155)
http://selleckchem.com/products/dcc-2618.html

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/10112110482D

 60 67  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
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 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (156)
3888

>  <Formula> (156)
C42H68O13

>  <MolWeight> (156)
780.98152

>  <Cat> (156)
S5454

>  <Name> (156)
Saikosaponin D

>  <Synonyms> (156)
N/A

>  <Target> (156)
ATPase

>  <Form> (156)
free base

>  <CAS> (156)
20874-52-6

>  <URL> (156)
http://selleckchem.com/products/saikosaponin-d.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/10112110482D

 72 80  0  0  0  0  0  0  0  0999 V2000
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C49H76O20

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S5554

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Lanatoside C

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N/A

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ATPase

>  <Form> (157)
free base

>  <CAS> (157)
17575-22-3

>  <URL> (157)
http://selleckchem.com/products/lanatoside-c.html

$$$$
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>  <Mol_ID> (158)
3979

>  <Formula> (158)
C20H18O6

>  <MolWeight> (158)
354.35332

>  <Cat> (158)
S3934

>  <Name> (158)
Acetyl Resveratrol

>  <Synonyms> (158)
N/A

>  <Target> (158)
Sirt12

>  <Form> (158)
free base

>  <CAS> (158)
42206-94-0

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

$$$$
S5358 Regadenoson.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (159)
4001

>  <Formula> (159)
C15H18N8O5

>  <MolWeight> (159)
390.35402

>  <Cat> (159)
S5358

>  <Name> (159)
Regadenoson

>  <Synonyms> (159)
CVT-3146, Lexiscan

>  <Target> (159)
Adenosine Receptor

>  <Form> (159)
free base

>  <CAS> (159)
313348-27-5  

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

$$$$
BMS-986205.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (160)
4014

>  <Formula> (160)
C24H24ClFN2O

>  <MolWeight> (160)
410.9115632

>  <Cat> (160)
S8629

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>  <Target> (160)
IDO1

>  <Form> (160)
free base

>  <CAS> (160)
1923833-60-6

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

$$$$

csChFnd80/10112110482D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (161)
4218

>  <Formula> (161)
C14H11ClN4S2

>  <MolWeight> (161)
334.84694

>  <Cat> (161)
S8700

>  <Name> (161)
TP0427736 HCl

>  <Synonyms> (161)
N/A

>  <Target> (161)
ALK

>  <Form> (161)
hydrochloride

>  <CAS> (161)
864374-00-5

>  <URL> (161)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (162)
4246

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C29H39NO9

>  <MolWeight> (162)
545.62126

>  <Cat> (162)
S9015

>  <Name> (162)
Homoharringtonine

>  <CAS> (162)
26833-87-4

$$$$
S9100 Fraxinellone.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (163)
4308

>  <Formula> (163)
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>  <MolWeight> (163)
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free base

>  <CAS> (163)
28808-62-0

$$$$
S9137 Erianin.cdx
csChFnd80/10112110482D

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4338

>  <Formula> (164)
C18H22O5

>  <MolWeight> (164)
318.36428

>  <Cat> (164)
S9137

>  <Name> (164)
Erianin

>  <Form> (164)
free base

>  <CAS> (164)
95041-90-0

$$$$
S9234 Schaftoside.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (165)
4409

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C26H28O14

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564.49212

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S9234

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Schaftoside

>  <CAS> (165)
51938-32-0

$$$$
S9240 Isofraxidin.cdx
csChFnd80/10112110482D

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>  <Mol_ID> (166)
4413

>  <Formula> (166)
C11H10O5

>  <MolWeight> (166)
222.1941

>  <Cat> (166)
S9240

>  <Name> (166)
Isofraxidin

>  <Form> (166)
free base

>  <CAS> (166)
486-21-5

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/10112110482D

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M  END
>  <Mol_ID> (167)
4627

>  <Formula> (167)
C43H44ClFN4O11S3

>  <MolWeight> (167)
943.4760632

>  <Cat> (167)
S5241

>  <Name> (167)
Lapatinib ditosylate monohydrate

>  <Synonyms> (167)
Tykerb Ditosylate

>  <Target> (167)
Others

>  <Form> (167)
ditosylate monohydrate

>  <CAS> (167)
388082-78-8

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

$$$$

csChFnd80/10112110482D

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M  END
>  <Mol_ID> (168)
4773

>  <Formula> (168)
C17H10F9NO2

>  <MolWeight> (168)
431.2524288

>  <Cat> (168)
S5775

>  <Name> (168)
SR1078

>  <Synonyms> (168)
N/A

>  <Target> (168)
Others

>  <Form> (168)
Free Base

>  <CAS> (168)
1246525-60-9

>  <URL> (168)
http://www.selleckchem.com/products/sr1078.html

$$$$

csChFnd80/10112110482D

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   10.9404    5.0547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1528    4.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2992    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3686    3.8837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4318    4.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2380    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7229    6.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0544    6.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3454    8.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3050    9.0324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9736    8.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6825    7.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3706    0.5694    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
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
 24 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 24  1  0  0  0  0
M  END
>  <Mol_ID> (169)
4818

>  <Formula> (169)
C24H29N5O3

>  <MolWeight> (169)
435.51876

>  <Cat> (169)
S8772

>  <Name> (169)
LY 3200882 

>  <Synonyms> (169)
N/A

>  <Target> (169)
TGF-beta/Smad

>  <Form> (169)
Free Base

>  <CAS> (169)
1898283-02-7

>  <URL> (169)
http://www.selleckchem.com/products/ly3200882.html

$$$$

csChFnd80/10112110482D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 12 22  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (170)
4827

>  <Formula> (170)
C17H13ClN2O3

>  <MolWeight> (170)
328.74972

>  <Cat> (170)
S8813

>  <Name> (170)
LIT-927

>  <Synonyms> (170)
N/A

>  <Target> (170)
CXCR

>  <Form> (170)
Free Base

>  <CAS> (170)
2172879-52-4

>  <URL> (170)
http://www.selleckchem.com/products/lit-927.html

$$$$

csChFnd80/10112110482D

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    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
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 20 25  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 21  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
 33 34  3  0  0  0  0
M  END
>  <Mol_ID> (171)
5125

>  <Formula> (171)
C27H25N5O2

>  <MolWeight> (171)
451.5197

>  <Cat> (171)
S8755

>  <Name> (171)
AZ304

>  <Synonyms> (171)
N/A

>  <Target> (171)
Raf

>  <Form> (171)
free base

>  <CAS> (171)
942507-42-8

>  <URL> (171)
http://www.selleck.cn/products/az304.html

$$$$

csChFnd80/10112110482D

  8  7  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.4000    0.0000 C   0  0  3  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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <Mol_ID> (172)
5176

>  <Formula> (172)
C5H11NO2

>  <MolWeight> (172)
117.14634

>  <Cat> (172)
S6334

>  <Name> (172)
DL-Norvaline

>  <Synonyms> (172)
2-Aminopentanoic acid, H-DL-Nva-OH, 2-Aminovaleric acid, ¦Á-Aminopentanoic acid

>  <Target> (172)
Others

>  <Form> (172)
free base

>  <CAS> (172)
760-78-1

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

$$$$

csChFnd80/10112110482D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4744    0.7049    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 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> (173)
5204

>  <Formula> (173)
C13H8Cl2N2O4

>  <MolWeight> (173)
327.11962

>  <Cat> (173)
S3030

>  <Name> (173)
Niclosamide

>  <Synonyms> (173)
Niclocide

>  <Target> (173)
STAT

>  <Form> (173)
Free Base

>  <CAS> (173)
50-65-7

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

$$$$

csChFnd80/10112110482D

 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
    7.2746    5.6000    0.0000 N   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
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  3  0  0  0  0
 12 14  3  0  0  0  0
M  END
>  <Mol_ID> (174)
6584

>  <Formula> (174)
C9H5ClN4

>  <MolWeight> (174)
204.6158

>  <Cat> (174)
S6494

>  <Name> (174)
CCCP

>  <Synonyms> (174)
Carbonyl cyanide m-chlorophenyl hydrazone

>  <Target> (174)
Others

>  <Form> (174)
free base

>  <CAS> (174)
555-60-2

>  <URL> (174)
http://www.selleck.cn/products/cccp.html

$$$$

csChFnd80/10112110482D

 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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 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
 10 12  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> (175)
6626

>  <Formula> (175)
C11H9Cl2N3O3S

>  <MolWeight> (175)
334.17846

>  <Cat> (175)
S6555

>  <Name> (175)
AZD2098

>  <Synonyms> (175)
N/A

>  <Target> (175)
CCR

>  <Form> (175)
free base

>  <CAS> (175)
566203-88-1

>  <URL> (175)
http://www.selleck.cn/products/azd2098.html

$$$$

csChFnd80/10112110482D

 26 27  0  0  0  0  0  0  0  0999 V2000
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   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
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
  5 26  1  0  0  0  0
  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> (176)
6635

>  <Formula> (176)
C20H22O6

>  <MolWeight> (176)
358.38508

>  <Cat> (176)
S6573

>  <Name> (176)
MD2-IN-1

>  <Synonyms> (176)
N/A

>  <Target> (176)
Others

>  <Form> (176)
free base

>  <CAS> (176)
111797-22-9

>  <URL> (176)
http://www.selleck.cn/products/md2-in-1.html

$$$$

csChFnd80/10112110482D

 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
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   10.8827    3.1246    0.0000 N   0  3  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
  9 11  1  0  0  0  0
  5  9  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  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> (177)
6637

>  <Formula> (177)
C11H7IN2O4

>  <MolWeight> (177)
358.08875

>  <Cat> (177)
S6575

>  <Name> (177)
C-176 STING inhibitor

>  <Synonyms> (177)
N/A

>  <Target> (177)
Others

>  <Form> (177)
free base

>  <CAS> (177)
314054-00-7

>  <URL> (177)
http://www.selleck.cn/products/c-176-sting-inhibitor.html

$$$$

csChFnd80/10112110482D

 32 34  0  0  0  0  0  0  0  0999 V2000
    8.4813    4.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6959    4.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9089    4.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9089    2.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    2.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5721    3.6829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1212    2.1028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3325    2.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
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  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
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 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 12 15  1  0  0  0  0
  4 11  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
 10 19  1  0  0  0  0
 23 24  1  0  0  0  0
  3 23  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
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 29 30  1  0  0  0  0
 25 30  2  0  0  0  0
 31 32  1  0  0  0  0
 28 31  1  0  0  0  0
 10 25  1  0  0  0  0
M  END
>  <Mol_ID> (178)
6650

>  <Formula> (178)
C25H35NO5S

>  <MolWeight> (178)
461.6141

>  <Cat> (178)
S6610

>  <Name> (178)
GSK2981278

>  <Synonyms> (178)
N/A

>  <Target> (178)
Others

>  <Form> (178)
free base

>  <CAS> (178)
1474110-21-8

>  <URL> (178)
http://www.selleck.cn/products/gsk2981278.html

$$$$

csChFnd80/10112110482D

 46 51  0  0  0  0  0  0  0  0999 V2000
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   21.8224    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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free base

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1818314-88-3

>  <URL> (179)
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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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897657-95-3

>  <URL> (180)
http://www.selleck.cn/products/msx-122.html

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N/A

>  <Target> (181)
CXCR

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954126-98-8

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

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CXCR

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>  <CAS> (182)
878385-84-3

>  <URL> (182)
http://www.selleck.cn/products/azd-5069.html

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N/A

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1099644-42-4

>  <URL> (184)
http://www.selleck.cn/products/itd-1.html

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N/A

>  <Target> (185)
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>  <URL> (185)
http://www.selleck.cn/products/sr1001.html

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N/A

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IDO/TDO

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Free Base

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914638-30-5

>  <URL> (186)
http://www.selleck.cn/products/ido-in-1.html

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csChFnd80/10112110482D

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473727-83-2

>  <URL> (187)
http://www.selleck.cn/products/sch-527123.html

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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> (188)
http://www.selleck.cn/products/plx5622.html

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>  <Formula> (189)
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S6719

>  <Name> (189)
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>  <Synonyms> (189)
N/A

>  <Target> (189)
TLR

>  <Form> (189)
Dihydrochloride

>  <CAS> (189)
1345675-25-3

>  <URL> (189)
http://www.selleck.cn/products/e6446.html

$$$$

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6807

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S2234

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>  <Synonyms> (190)
N/A

>  <Target> (190)
TGF-beta/Smad

>  <Form> (190)
Free Base

>  <CAS> (190)
334951-90-5

>  <URL> (190)
http://www.selleck.cn/products/bibf-0775.html

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>  <Mol_ID> (191)
6818

>  <Formula> (191)
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>  <MolWeight> (191)
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>  <Synonyms> (191)
N/A

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STING

>  <Form> (191)
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>  <CAS> (191)
941987-60-6

>  <URL> (191)
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1629138-41-5

>  <URL> (192)
http://www.selleck.cn/products/sri-011381.html

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6829

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C17H10N2O5

>  <MolWeight> (193)
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>  <Synonyms> (193)
N/A

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STING

>  <Form> (193)
Free Base

>  <CAS> (193)
329198-87-0

>  <URL> (193)
http://www.selleck.cn/products/c-178.html

$$$$

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 32 34  0  0  0  0  0  0  0  0999 V2000
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6901

>  <Formula> (194)
C19H14BF4N3O4S

>  <MolWeight> (194)
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S8947

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SX-682

>  <Synonyms> (194)
N/A

>  <Target> (194)
CXCR

>  <Form> (194)
Free Base

>  <CAS> (194)
1648843-04-2

>  <URL> (194)
http://www.selleckchem.com/products/sx-682.html

$$$$

csChFnd80/10112110482D

 27 30  0  0  0  0  0  0  0  0999 V2000
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6914

>  <Formula> (195)
C20H13FN4O2

>  <MolWeight> (195)
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>  <Cat> (195)
S5183

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>  <Synonyms> (195)
N/A

>  <Target> (195)
p38 MAPK

>  <Form> (195)
Free Base

>  <CAS> (195)
152121-53-4

>  <URL> (195)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/10112110482D

 22 24  0  0  0  0  0  0  0  0999 V2000
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6928

>  <Formula> (196)
C16H11N3O3

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>  <Cat> (196)
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STAT5-IN-1

>  <Synonyms> (196)
N/A

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STAT

>  <Form> (196)
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>  <CAS> (196)
285986-31-4

>  <URL> (196)
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 10 14  2  0  0  0  0
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 11 16  1  0  0  0  0
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M  END
>  <Mol_ID> (197)
6941

>  <Formula> (197)
C20H13F2N3

>  <MolWeight> (197)
333.3341264

>  <Cat> (197)
S6807

>  <Name> (197)
TA-02

>  <Synonyms> (197)
N/A

>  <Target> (197)
p38 MAPK

>  <Form> (197)
Free Base

>  <CAS> (197)
1784751-19-4

>  <URL> (197)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/10112110482D

 29 32  0  0  0  0  0  0  0  0999 V2000
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   10.4812    3.7821    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> (198)
6960

>  <Formula> (198)
C21H16ClFN2O3S

>  <MolWeight> (198)
430.8797432

>  <Cat> (198)
S8954

>  <Name> (198)
STING agonist-1 (G10)

>  <Synonyms> (198)
N/A

>  <Target> (198)
STING

>  <Form> (198)
Free Base

>  <CAS> (198)
702662-50-8

>  <URL> (198)
http://www.selleckchem.com/products/sting-agonist-1-g10.html

$$$$

csChFnd80/10112110482D

 25 26  0  0  0  0  0  0  0  0999 V2000
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    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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    2.4249    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 18 20  2  0  0  0  0
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M  END
>  <Mol_ID> (199)
6968

>  <Formula> (199)
C18H18N2O5

>  <MolWeight> (199)
342.34592

>  <Cat> (199)
S0129

>  <Name> (199)
SB-297006

>  <Synonyms> (199)
N/A

>  <Target> (199)
CCR

>  <Form> (199)
Free Base

>  <CAS> (199)
58816-69-6

>  <URL> (199)
http://www.selleckchem.com/products/sb297006.html

$$$$

csChFnd80/10112110482D

 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
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   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
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    7.2748   14.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  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
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  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
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M  END
>  <Mol_ID> (200)
6991

>  <Formula> (200)
C24H28N6O3S

>  <MolWeight> (200)
480.58252

>  <Cat> (200)
S0487

>  <Name> (200)
Sulfatinib

>  <Synonyms> (200)
HMPL-012, Sufatinib, Surfatinib

>  <Target> (200)
CSF-1R

>  <Form> (200)
Free Base

>  <CAS> (200)
1308672-74-3

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

$$$$

csChFnd80/10112110482D

 18 20  0  0  0  0  0  0  0  0999 V2000
   12.2792    1.2124    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    4.5792    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
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 10 16  1  0  0  0  0
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M  END
>  <Mol_ID> (201)
6993

>  <Formula> (201)
C14H10BrNOS

>  <MolWeight> (201)
320.2043

>  <Cat> (201)
S0523

>  <Name> (201)
SB?4

>  <Synonyms> (201)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (201)
TGF-beta/Smad

>  <Form> (201)
Free Base

>  <CAS> (201)
100874-08-6

>  <URL> (201)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/10112110482D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4469    5.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6380    3.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
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7009

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C18H14N2O3

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306.31536

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>  <Synonyms> (202)
Tyrphostin B66, AG 528

>  <Target> (202)
EGFR

>  <Form> (202)
Free Base

>  <CAS> (202)
133550-49-9

>  <URL> (202)
http://www.selleckchem.com/products/tyrphostin-ag-528.html

$$$$

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M  END
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7023

>  <Formula> (203)
C24H24N4O5S

>  <MolWeight> (203)
480.53616

>  <Cat> (203)
S7688

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Ki20227

>  <Synonyms> (203)
KI-20227

>  <Target> (203)
CSF-1R

>  <Form> (203)
Free Base

>  <CAS> (203)
623142-96-1

>  <URL> (203)
http://www.selleckchem.com/products/ki20227.html

$$$$

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7024

>  <Formula> (204)
C25H19N5S

>  <MolWeight> (204)
421.51686

>  <Cat> (204)
S7692

>  <Name> (204)
A-83-01

>  <Synonyms> (204)
N/A

>  <Target> (204)
ALK

>  <Form> (204)
Free Base

>  <CAS> (204)
909910-43-6

>  <URL> (204)
http://www.selleckchem.com/products/a-83-01.html

$$$$

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7046

>  <Formula> (205)
C25H40N8O2

>  <MolWeight> (205)
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>  <Cat> (205)
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>  <Name> (205)
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>  <Target> (205)
CCR

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>  <CAS> (205)
1286279-29-5

>  <URL> (205)
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$$$$

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M  END
>  <Mol_ID> (206)
7048

>  <Formula> (206)
C16H10ClF6NO2

>  <MolWeight> (206)
397.6995192

>  <Cat> (206)
S0094

>  <Name> (206)
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>  <Target> (206)
ROR

>  <Form> (206)
free base

>  <CAS> (206)
303126-97-8

>  <URL> (206)
http://www.selleckchem.com/products/sr0987.html

$$$$

csChFnd80/10112110482D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  2  9  1  0  0  0  0
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 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> (207)
7088

>  <Formula> (207)
C21H13ClF3N3O2

>  <MolWeight> (207)
431.7950296

>  <Cat> (207)
S0445

>  <Name> (207)
SC-43

>  <Target> (207)
phosphatase

>  <Form> (207)
free base

>  <CAS> (207)
1400989-25-4

>  <URL> (207)
http://www.selleckchem.com/products/sc-43.html

$$$$

csChFnd80/10112110482D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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  8 10  1  0  0  0  0
 10  1  1  0  0  0  0
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 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (208)
7102

>  <Formula> (208)
C23H40N2O3

>  <MolWeight> (208)
392.5753

>  <Cat> (208)
S0752

>  <Name> (208)
AUDA

>  <Target> (208)
Epoxide Hydrolase

>  <Form> (208)
free base

>  <CAS> (208)
479413-70-2

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

$$$$

csChFnd80/10112110482D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (209)
7104

>  <Formula> (209)
C17H17N3O

>  <MolWeight> (209)
279.33638

>  <Cat> (209)
S0777

>  <Name> (209)
APX-115 free base

>  <Target> (209)
NADPH-oxidase

>  <Form> (209)
free base

>  <CAS> (209)
1270084-92-8

>  <URL> (209)
http://www.selleckchem.com/products/apx-115-free-base.html

$$$$

csChFnd80/10112110482D

 35 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (210)
7108

>  <Formula> (210)
C28H29NO6

>  <MolWeight> (210)
475.53296

>  <Cat> (210)
S0818

>  <Name> (210)
STAT3-IN-1

>  <Target> (210)
STAT

>  <Form> (210)
free base

>  <CAS> (210)
2059952-75-7

>  <URL> (210)
http://www.selleckchem.com/products/stat3-in-1.html

$$$$

csChFnd80/10112110482D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    0.0000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6988    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9112    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9112    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6988    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1236    6.5834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.4863    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
  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  7  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 20 15  1  0  0  0  0
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 18 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (211)
7110

>  <Formula> (211)
C15H8F2LiN5O3

>  <MolWeight> (211)
351.1935264

>  <Cat> (211)
S0853

>  <Name> (211)
SR-717?lithium

>  <Target> (211)
STING

>  <Form> (211)
free base

>  <CAS> (211)
2375421-09-1

>  <URL> (211)
http://www.selleckchem.com/products/sr-717.html

$$$$

csChFnd80/10112110482D

 40 43  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  1  0  0  0  0
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  4  7  2  0  0  0  0
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  8  9  1  0  0  0  0
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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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 11 15  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
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 24  2  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
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 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> (212)
7114

>  <Formula> (212)
C30H48O7

>  <MolWeight> (212)
520.69792

>  <Cat> (212)
S0949

>  <Name> (212)
Cucurbitacin IIb

>  <Target> (212)
STAT

>  <Form> (212)
free base

>  <CAS> (212)
50298-90-3

>  <URL> (212)
http://www.selleckchem.com/products/curcubitacin-iib.html

$$$$

csChFnd80/10112110482D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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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> (213)
7124

>  <Formula> (213)
C10H14O

>  <MolWeight> (213)
150.21756

>  <Cat> (213)
S3205

>  <Name> (213)
Perillaldehyde

>  <Target> (213)
AhR

>  <Form> (213)
free base

>  <CAS> (213)
18031-40-8

>  <URL> (213)
http://www.selleckchem.com/products/perillaldehyde.html

$$$$

csChFnd80/10112110482D

 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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 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (214)
7134

>  <Formula> (214)
C7H14O6

>  <MolWeight> (214)
194.18246

>  <Cat> (214)
S3223

>  <Name> (214)
L-Quebrachitol

>  <Target> (214)
TGF-beta/Smad

>  <Form> (214)
free base

>  <CAS> (214)
642-38-6

>  <URL> (214)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/10112110482D

 42 46  0  0  0  0  0  0  0  0999 V2000
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 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> (215)
7166

>  <Formula> (215)
C27H30O15

>  <MolWeight> (215)
594.5181

>  <Cat> (215)
S3267

>  <Name> (215)
Kaempferol-3-O-rutinoside

>  <Target> (215)
Apoptosis related

>  <Form> (215)
free base

>  <CAS> (215)
17650-84-9

>  <URL> (215)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/10112110482D

 19 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   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> (216)
7187

>  <Formula> (216)
C17H24O2

>  <MolWeight> (216)
260.37126

>  <Cat> (216)
S3292

>  <Name> (216)
Falcarindiol

>  <Target> (216)
NOS

>  <Form> (216)
free base

>  <CAS> (216)
225110-25-8

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

$$$$

csChFnd80/10112110482D

 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
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 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> (217)
7208

>  <Formula> (217)
C16H15NO4

>  <MolWeight> (217)
285.2946

>  <Cat> (217)
S6597

>  <Name> (217)
TLR2-IN-C29

>  <Target> (217)
TLR

>  <Form> (217)
free base

>  <CAS> (217)
363600-92-4

>  <URL> (217)
http://www.selleckchem.com/products/tlr2-in-c29.html

$$$$

csChFnd80/10112110482D

 27 30  0  0  0  0  0  0  0  0999 V2000
    5.8638    1.6944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4289    6.7052    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8642    0.2815    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280    3.8225    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4636    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2824    1.6789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6775    5.1989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3074    4.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4980    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5095    3.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0940    3.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0721    2.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3074    5.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7063    1.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520    2.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1630    6.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9831    2.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4636    1.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5869    8.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2270    2.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9869    8.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9271    1.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2356    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8857    4.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9806    1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6473    4.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2 13  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  1  0  0  0  0
  3 23  1  0  0  0  0
  4 20  1  0  0  0  0
  4 27  1  0  0  0  0
  5 18  2  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 24  3  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 22  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 25  2  0  0  0  0
 22 23  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (218)
7241

>  <Formula> (218)
C20H12N2OS4

>  <MolWeight> (218)
424.58208

>  <Cat> (218)
S6898

>  <Name> (218)
RCM-1

>  <Target> (218)
Interleukins

>  <Form> (218)
free base

>  <CAS> (218)
339163-65-4

>  <URL> (218)
http://www.selleckchem.com/products/rcm-1.html

$$$$

csChFnd80/10112110482D

 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
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    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
    1.3315    4.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3315    2.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5338    4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5203    5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8679    5.5889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2303    4.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5826    3.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5725    4.8642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2102    6.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8579    6.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9201    4.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2825    3.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6348    2.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   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> (219)
7244

>  <Formula> (219)
C25H29N9O3

>  <MolWeight> (219)
503.55626

>  <Cat> (219)
S6910

>  <Name> (219)
Preladenant

>  <Target> (219)
Adenosine Receptor

>  <Form> (219)
free base

>  <CAS> (219)
377727-87-2

>  <URL> (219)
http://www.selleckchem.com/products/preladenant.html

$$$$

csChFnd80/10112110482D

 50 54  0  0  0  0  0  0  0  0999 V2000
    0.0000    9.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119   11.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617   12.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   11.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 14  9  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 19  1  0  0  0  0
 21 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 25 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
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 35 36  1  0  0  0  0
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 39 34  1  0  0  0  0
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M  END
>  <Mol_ID> (220)
7251

>  <Formula> (220)
C41H52N4O4S

>  <MolWeight> (220)
696.94098

>  <Cat> (220)
S8512

>  <Name> (220)
Cenicriviroc

>  <Target> (220)
CCR

>  <Form> (220)
free base

>  <CAS> (220)
497223-25-3

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

$$$$

csChFnd80/10112110482D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  1  9  1  0  0  0  0
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 10 11  2  0  0  0  0
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M  END
>  <Mol_ID> (221)
7277

>  <Formula> (221)
C15H11FN2

>  <MolWeight> (221)
238.2596432

>  <Cat> (221)
S8997

>  <Name> (221)
680C91

>  <Target> (221)
IDO/TDO

>  <Form> (221)
free base

>  <CAS> (221)
163239-22-3

>  <URL> (221)
http://www.selleckchem.com/products/680c91.html

$$$$

csChFnd80/10112110482D

 44 48  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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>  <Mol_ID> (222)
7282

>  <Formula> (222)
C35H34N2O7

>  <MolWeight> (222)
594.65366

>  <Cat> (222)
S9610

>  <Name> (222)
BMS-1001

>  <Target> (222)
PD-1/PD-L1

>  <Form> (222)
free base

>  <CAS> (222)
2113650-03-4

>  <URL> (222)
http://www.selleckchem.com/products/bms-1001.html

$$$$

csChFnd80/10112110482D

152158  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (223)
7294

>  <Formula> (223)
C97H144FN33O19S2

>  <MolWeight> (223)
2159.5193632

>  <Cat> (223)
S9665

>  <Name> (223)
Motixafortide (BL-8040)

>  <Target> (223)
CXCR

>  <Form> (223)
free base

>  <CAS> (223)
664334-36-5

>  <URL> (223)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/10112110482D

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M  END
>  <Mol_ID> (224)
7318

>  <Formula> (224)
C14H14ClNS

>  <MolWeight> (224)
263.78566

>  <Cat> (224)
S0721

>  <Name> (224)
Ticlopidine

>  <Synonyms> (224)
Yuclid, Ticlopidinum, Ticlopidina

>  <Target> (224)
P450 (e.g. CYP17). Adenosine Receptor

>  <Form> (224)
Free Base

>  <CAS> (224)
55142-85-3

>  <URL> (224)
https://www.selleckchem.com/products/ticlopidine.html

$$$$

csChFnd80/10112110482D

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   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 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  2  7  1  0  0  0  0
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 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (225)
7399

>  <Formula> (225)
C16H15FN2O4

>  <MolWeight> (225)
318.2997032

>  <Cat> (225)
S0153

>  <Name> (225)
SJ000291942

>  <Synonyms> (225)
N/A

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

>  <Form> (225)
Free Base

>  <CAS> (225)
425613-09-8

>  <URL> (225)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/10112110482D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1 19  1  0  0  0  0
  2  7  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  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> (226)
7416

>  <Formula> (226)
C17H15NO2

>  <MolWeight> (226)
265.3065

>  <Cat> (226)
S0290

>  <Name> (226)
SU5204

>  <Synonyms> (226)
N/A

>  <Target> (226)
VEGFR. HER2

>  <Form> (226)
Free Base

>  <CAS> (226)
186611-11-0

>  <URL> (226)
https://www.selleckchem.com/products/su5204.html

$$$$

csChFnd80/10112110482D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   16.1613    2.6614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  1 21  1  0  0  0  0
  2 14  2  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 27  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
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  7 19  1  0  0  0  0
  8 16  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
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 17 24  1  0  0  0  0
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 20 21  1  0  0  0  0
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 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (227)
7437

>  <Formula> (227)
C19H23N5O4

>  <MolWeight> (227)
385.41702

>  <Cat> (227)
S0494

>  <Name> (227)
SM 324405

>  <Synonyms> (227)
N/A

>  <Target> (227)
TLR

>  <Form> (227)
Free Base

>  <CAS> (227)
677773-91-0

>  <URL> (227)
https://www.selleckchem.com/products/sm-324405.html

$$$$

csChFnd80/10112110482D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082   14.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  1  7  1  0  0  0  0
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 18 15  1  0  0  0  0
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 20 16  1  6  0  0  0
 20 21  1  0  0  0  0
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 24 20  1  0  0  0  0
 22 25  1  1  0  0  0
 21 26  1  1  0  0  0
 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> (228)
7441

>  <Formula> (228)
C18H18ClIN6O4

>  <MolWeight> (228)
544.73079

>  <Cat> (228)
S0498

>  <Name> (228)
Namodenoson (CF-102)

>  <Synonyms> (228)
2-Cl-IB-MECA

>  <Target> (228)
Adenosine Receptor

>  <Form> (228)
Free Base

>  <CAS> (228)
163042-96-4

>  <URL> (228)
https://www.selleckchem.com/products/namodenoson-cf-102.html

$$$$

csChFnd80/10112110482D

 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
 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (229)
7622

>  <Formula> (229)
C21H23NO3

>  <MolWeight> (229)
337.41222

>  <Cat> (229)
S6934

>  <Name> (229)
AMG-9810

>  <Synonyms> (229)
N/A

>  <Target> (229)
TRP Channel. TLR

>  <Form> (229)
Free Base

>  <CAS> (229)
545395-94-6

>  <URL> (229)
https://www.selleckchem.com/products/amg-9810.html

$$$$

csChFnd80/10112110482D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2743    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.4646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    5.0695    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4660    4.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    5.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0453    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2224    4.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6535    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0535    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7535    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1535    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8535    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1535    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7535    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8334    0.0837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 21 28  2  0  0  0  0
 11 29  1  6  0  0  0
M  END
>  <Mol_ID> (230)
7635

>  <Formula> (230)
C23H25FN2O3

>  <MolWeight> (230)
396.4546032

>  <Cat> (230)
S8919

>  <Name> (230)
LY-3381916

>  <Synonyms> (230)
IDO1-IN-5

>  <Target> (230)
IDO/TDO

>  <Form> (230)
Free Base

>  <CAS> (230)
2166616-75-5

>  <URL> (230)
https://www.selleckchem.com/products/ly-3381916.html

$$$$

csChFnd80/10112110482D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.5743    6.6096    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0219    1.7763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6805    7.2712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5443    2.1821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9821    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5805    3.6339    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2650    3.1551    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9807    3.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8806    4.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1925    4.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8913    3.5384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6806    4.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5805    6.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9805    6.0588    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7085    4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1472    2.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6305    3.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0544    0.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862    5.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8058    0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2556    3.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1228    6.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8236    2.2552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  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> (231)
7638

>  <Formula> (231)
C18H21FN2O2

>  <MolWeight> (231)
316.3699432

>  <Cat> (231)
S8957

>  <Name> (231)
Navoximod

>  <Synonyms> (231)
GDC-0919, NLG-919

>  <Target> (231)
IDO/TDO

>  <Form> (231)
Free Base

>  <CAS> (231)
1402837-78-8

>  <URL> (231)
https://www.selleckchem.com/products/navoximod.html

$$$$

csChFnd80/10112110482D

186188  0  0  0  0  0  0  0  0999 V2000
   13.3368   20.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8796   21.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7097   25.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2525   26.7214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   18.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   71.3188   26.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   69.4968   22.5109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1023   28.1214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   71.1195   24.3130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   27.7395   24.6214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   65.2565   32.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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7646

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STAT. Beta Amyloid.

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867021-83-8

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129425-81-6

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

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  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 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  7  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 18 11  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (234)
7667

>  <Formula> (234)
C17H15NO2

>  <MolWeight> (234)
265.3065

>  <Cat> (234)
S9730

>  <Name> (234)
CU-CPT9a

>  <Synonyms> (234)
N/A

>  <Target> (234)
TLR

>  <Form> (234)
Free Base

>  <CAS> (234)
2165340-32-7

>  <URL> (234)
https://www.selleckchem.com/products/cu-cpt9a.html

$$$$

csChFnd80/10112110482D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.9652    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.2189    2.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1887    2.8496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5072    0.7244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0099    2.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
  2  8  1  0  0  0  0
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  5  6  1  0  0  0  0
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  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 14  1  0  0  0  0
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 13 17  1  0  0  0  0
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 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (235)
7670

>  <Formula> (235)
C18H26ClN3

>  <MolWeight> (235)
319.87214

>  <Cat> (235)
S6999

>  <Name> (235)
Chloroquine

>  <Synonyms> (235)
Aralen, CHQ, CQ

>  <Target> (235)
Autophagy

>  <Form> (235)
Free Base

>  <CAS> (235)
54-05-7

>  <URL> (235)
http://www.selleckchem.com/products/chloroquine.html

$$$$

csChFnd80/10112110482D

 40 44  0  0  0  0  0  0  0  0999 V2000
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    9.6826    8.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702   10.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   12.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   13.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0453    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7280   14.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17  2  1  0  0  0  0
 15 18  1  0  0  0  0
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 31 26  1  0  0  0  0
 10 32  1  0  0  0  0
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 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
M  END
>  <Mol_ID> (236)
7698

>  <Formula> (236)
C29H29ClN6O4

>  <MolWeight> (236)
561.03136

>  <Cat> (236)
S9786

>  <Name> (236)
BDTX-189

>  <Synonyms> (236)
N/A

>  <Target> (236)
EGFR

>  <Form> (236)
Free Base

>  <CAS> (236)
2414572-47-5

>  <URL> (236)
http://www.selleckchem.com/products/bdtx-189.html

$$$$

csChFnd80/10112110482D

 36 37  0  0  0  0  0  0  0  0999 V2000
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    2.4250    9.8784    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5515    1.3976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9947    6.3072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
  4 35  1  0  0  0  0
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  5 18  1  0  0  0  0
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  6 20  1  0  0  0  0
  7 29  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 21  1  0  0  0  0
  9 29  1  0  0  0  0
 10 24  1  0  0  0  0
 10 27  2  0  0  0  0
 11 26  1  0  0  0  0
 11 28  1  0  0  0  0
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 12 27  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
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 28 30  2  0  0  0  0
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 29 34  1  0  0  0  0
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M  END
>  <Mol_ID> (237)
7704

>  <Formula> (237)
C24H27Cl3FN5O3

>  <MolWeight> (237)
558.8602832

>  <Cat> (237)
S0711

>  <Name> (237)
Canertinib dihydrochloride

>  <Synonyms> (237)
CI-1033 dihydrochloride, PD-183805 dihydrochloride

>  <Target> (237)
EGFR

>  <Form> (237)
Dihydrochloride

>  <CAS> (237)
289499-45-2

>  <URL> (237)
http://www.selleckchem.com/products/canertinib-dihydrochloride.html

$$$$

csChFnd80/10112110482D

 44 48  0  0  0  0  0  0  0  0999 V2000
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   13.3364    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
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 31 28  2  0  0  0  0
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 30 36  1  0  0  0  0
 23 25  1  0  0  0  0
 10 23  1  0  0  0  0
M  END
>  <Mol_ID> (238)
7732

>  <Formula> (238)
C32H28F3N5O4

>  <MolWeight> (238)
603.5910296

>  <Cat> (238)
S8682

>  <Name> (238)
AMG 487

>  <Synonyms> (238)
N/A

>  <Target> (238)
CXCR

>  <Form> (238)
Free Base

>  <CAS> (238)
473719-41-4

>  <URL> (238)
http://www.selleckchem.com/products/amg-487.html

$$$$

csChFnd80/10112110482D

 31 33  0  0  0  0  0  0  0  0999 V2000
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   11.2425    8.8874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9587    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   14.8798    6.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6674    8.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8798    8.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 22  1  0  0  0  0
 23  5  1  6  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  7 14  1  0  0  0  0
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  8 18  2  0  0  0  0
  9 21  2  0  0  0  0
  9 24  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
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 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (239)
7834

>  <Formula> (239)
C21H23Cl3FN5O

>  <MolWeight> (239)
486.7976232

>  <Cat> (239)
S5190

>  <Name> (239)
Crizotinib hydrochloride

>  <Synonyms> (239)
Xalkori, PF-02341066 hydrochloride

>  <Target> (239)
c-Met

>  <Form> (239)
Hydrochloride

>  <CAS> (239)
1415560-69-8

>  <URL> (239)
http://www.selleckchem.com/products/crizotinib-hydrochloride.html

$$$$

csChFnd80/10112110482D

 26 31  0  0  0  0  0  0  0  0999 V2000
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  1 16  1  0  0  0  0
  2 19  1  0  0  0  0
  2 21  1  0  0  0  0
  3 24  1  0  0  0  0
  3 26  1  0  0  0  0
  4 25  1  0  0  0  0
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  5 17  1  0  0  0  0
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  7 10  1  0  0  0  0
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  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
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 16 17  1  0  0  0  0
 18 20  1  0  0  0  0
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 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (240)
7891

>  <Formula> (240)
C21H27NO4

>  <MolWeight> (240)
357.44338

>  <Cat> (240)
S3479

>  <Name> (240)
R243

>  <Synonyms> (240)
N/A

>  <Target> (240)
CCR

>  <Form> (240)
Free Base

>  <CAS> (240)
688352-84-3

>  <URL> (240)
http://www.selleckchem.com/products/r243.html

$$$$

csChFnd80/10112110482D

 26 27  0  0  0  0  0  0  0  0999 V2000
   12.1435    6.2852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2036    4.1751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 22  1  0  0  0  0
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  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 24  1  0  0  0  0
 14 17  1  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 21  2  0  0  0  0
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 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (241)
7902

>  <Formula> (241)
C17H15N3O6

>  <MolWeight> (241)
357.3175

>  <Cat> (241)
S4842

>  <Name> (241)
Balsalazide

>  <Synonyms> (241)
Colazal, Giazo

>  <Target> (241)
Immunology & Inflammation related

>  <Form> (241)
Free Base

>  <CAS> (241)
80573-04-2

>  <URL> (241)
http://www.selleckchem.com/products/balsalazide.html

$$$$

csChFnd80/10112110482D

 19 22  0  0  0  0  0  0  0  0999 V2000
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  1 14  1  0  0  0  0
  2 12  1  0  0  0  0
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  3  6  2  0  0  0  0
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  6  7  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 19  1  0  0  0  0
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M  END
>  <Mol_ID> (242)
7913

>  <Formula> (242)
C14H13N3OS

>  <MolWeight> (242)
271.33752

>  <Cat> (242)
S0981

>  <Name> (242)
BD750

>  <Synonyms> (242)
N/A

>  <Target> (242)
JAK

>  <Form> (242)
Free Base

>  <CAS> (242)
892686-59-8

>  <URL> (242)
http://www.selleckchem.com/products/bd750.html

$$$$

csChFnd80/10112110482D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0  0  0  0
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 13  3  1  0  0  0  0
 12  4  1  0  0  0  0
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 13 18  1  0  0  0  0
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M  END
>  <Mol_ID> (243)
7963

>  <Formula> (243)
C15H16O3

>  <MolWeight> (243)
244.28574

>  <Cat> (243)
E0011

>  <Name> (243)
Linderalactone

>  <Synonyms> (243)
N/A

>  <Target> (243)
Bcl-2

>  <Form> (243)
Free Base

>  <CAS> (243)
728-61-0

>  <URL> (243)
http://www.selleckchem.com/products/linderalactone.html

$$$$

csChFnd80/10112110482D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  8 14  1  0  0  0  0
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 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
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 14 20  1  0  0  0  0
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 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (244)
7984

>  <Formula> (244)
C16H24N2O4

>  <MolWeight> (244)
308.37276

>  <Cat> (244)
S0292

>  <Name> (244)
MSX-127

>  <Synonyms> (244)
NSC23026

>  <Target> (244)
CXCR

>  <Form> (244)
Free Base

>  <CAS> (244)
6616-56-4

>  <URL> (244)
http://www.selleckchem.com/products/msx-127.html

$$$$

csChFnd80/10112110482D

 40 46  0  0  0  0  0  0  0  0999 V2000
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   11.2987    3.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4530    3.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (245)
7985

>  <Formula> (245)
C36H26N4

>  <MolWeight> (245)
514.61844

>  <Cat> (245)
S0293

>  <Name> (245)
MSX-130

>  <Synonyms> (245)
N/A

>  <Target> (245)
CXCR

>  <Form> (245)
Free Base

>  <CAS> (245)
4051-59-6

>  <URL> (245)
http://www.selleckchem.com/products/msx-130.html

$$$$

csChFnd80/10112110482D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (246)
8008

>  <Formula> (246)
C13H9F6NO3S2

>  <MolWeight> (246)
405.3358792

>  <Cat> (246)
S2969

>  <Name> (246)
SR3335

>  <Synonyms> (246)
ML-176

>  <Target> (246)
ROR

>  <Form> (246)
Free Base

>  <CAS> (246)
293753-05-6

>  <URL> (246)
http://www.selleckchem.com/products/sr3335.html

$$$$

csChFnd80/10112110482D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (247)
8021

>  <Formula> (247)
C14H12N4O

>  <MolWeight> (247)
252.27128

>  <Cat> (247)
S4461

>  <Name> (247)
CU-CPT-8m

>  <Synonyms> (247)
CPD1578

>  <Target> (247)
TLR

>  <Form> (247)
Free Base

>  <CAS> (247)
125079-83-6

>  <URL> (247)
http://www.selleckchem.com/products/cu-cpt-8m.html

$$$$

csChFnd80/10112110482D

 29 31  0  0  0  0  0  0  0  0999 V2000
    8.4932    4.8087    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9449   14.7486    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3449   13.3486    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5449   13.3486    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    2.1486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    0.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    5.6486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    0.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    2.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    3.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    3.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    4.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    4.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    2.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    7.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    7.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    2.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    9.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    9.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    9.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573   11.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325   11.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449   11.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449   13.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
  4 29  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  6 19  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (248)
8068

>  <Formula> (248)
C21H22ClF3N2O2

>  <MolWeight> (248)
426.8597896

>  <Cat> (248)
S7538

>  <Name> (248)
RS-102895 Hydrochloride

>  <Synonyms> (248)
RS-102895 HCl

>  <Target> (248)
CCR

>  <Form> (248)
Hydrochloride

>  <CAS> (248)
1173022-16-6

>  <URL> (248)
http://www.selleckchem.com/products/rs-102895-hydrochloride.html

$$$$
