untitled.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (1)
5

>  <Formula> (1)
C27H32ClN5O5

>  <MolWeight> (1)
542.02648

>  <Cat> (1)
S1006

>  <Name> (1)
Saracatinib (AZD0530)

>  <Synonyms> (1)
N/A

>  <Target> (1)
Autophagy,EGFR,Src

>  <Form> (1)
free base

>  <CAS> (1)
379231-04-6

>  <URL> (1)
http://selleckchem.com/products/AZD0530.html

$$$$
untitled.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (2)
15

>  <Formula> (2)
C22H24ClFN4O3

>  <MolWeight> (2)
446.9023632

>  <Cat> (2)
S1025

>  <Name> (2)
Gefitinib (ZD1839)

>  <Synonyms> (2)
Iressa,ZD1839

>  <Target> (2)
Apoptosis related,Autophagy,EGFR

>  <Form> (2)
free base

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

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

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (3)
17

>  <Formula> (3)
C43H42ClFN4O10S3

>  <MolWeight> (3)
925.4607832

>  <Cat> (3)
S1028

>  <Name> (3)
Lapatinib (GW-572016) Ditosylate

>  <Synonyms> (3)
GW-572016

>  <Target> (3)
EGFR,HER2

>  <Form> (3)
Ditosylat

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

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

$$$$
AT9283.cdx
csChFnd80/04082409412D

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Aurora Kinase,Bcr-Abl,JAK

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896466-04-9

>  <URL> (4)
http://selleckchem.com/products/AT9283.html

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STAT

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free base

>  <CAS> (5)
501919-59-1

>  <URL> (5)
http://selleckchem.com/products/S31-201.html

$$$$
CP-724,714.cdx
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EGFR,HER2

>  <Form> (6)
free base

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537705-08-1

>  <URL> (6)
http://selleckchem.com/products/CP-724714.html

$$$$
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EGFR

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free base

>  <CAS> (7)
1214265-56-1

>  <URL> (7)
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$$$$

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M  END
>  <Mol_ID> (8)
102

>  <Formula> (8)
C25H27ClN6O3

>  <MolWeight> (8)
494.97328

>  <Cat> (8)
S1173

>  <Name> (8)
WZ4002

>  <Synonyms> (8)
N/A

>  <Target> (8)
EGFR

>  <Form> (8)
free base

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

>  <URL> (8)
http://selleckchem.com/products/WZ4002.html

$$$$
wz8040.cdx
csChFnd80/04082409412D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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 31 33  2  0  0  0  0
M  END
>  <Mol_ID> (9)
107

>  <Formula> (9)
C24H25ClN6OS

>  <MolWeight> (9)
481.0129

>  <Cat> (9)
S1179

>  <Name> (9)
WZ8040

>  <Synonyms> (9)
N/A

>  <Target> (9)
EGFR

>  <Form> (9)
free base

>  <CAS> (9)
1214265-57-2

>  <URL> (9)
http://selleckchem.com/products/WZ8040.html

$$$$
S119401 CUDC-101.cdx
csChFnd80/04082409412D

 32 34  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (10)
118

>  <Formula> (10)
C24H26N4O4

>  <MolWeight> (10)
434.48764

>  <Cat> (10)
S1194

>  <Name> (10)
CUDC-101

>  <Synonyms> (10)
N/A

>  <Target> (10)
EGFR,HDAC,HER2

>  <Form> (10)
free base

>  <CAS> (10)
1012054-59-9

>  <URL> (10)
http://selleckchem.com/products/CUDC-101.html

$$$$
Fludara (Fludarabine Phosphate).cdx
csChFnd80/04082409412D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  6  0  0  0
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 13 18  1  6  0  0  0
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 14 24  1  1  0  0  0
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M  END
>  <Mol_ID> (11)
136

>  <Formula> (11)
C10H13FN5O7P

>  <MolWeight> (11)
365.2116842

>  <Cat> (11)
S1229

>  <Name> (11)
Fludarabine Phosphate

>  <Synonyms> (11)
F-ara-A (NSC 312887) Phosphate

>  <Target> (11)
DNA/RNA Synthesis

>  <Form> (11)
Phosphate

>  <CAS> (11)
75607-67-9

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

$$$$
Genistein.cdx
csChFnd80/04082409412D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    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
  3  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  4  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
  5 20  1  0  0  0  0
M  END
>  <Mol_ID> (12)
221

>  <Formula> (12)
C15H10O5

>  <MolWeight> (12)
270.2369

>  <Cat> (12)
S1342

>  <Name> (12)
Genistein (NPI 031L)

>  <Synonyms> (12)
NPI 031L

>  <Target> (12)
EGFR,Topoisomerase

>  <Form> (12)
free base

>  <CAS> (12)
446-72-0

>  <URL> (12)
http://selleckchem.com/products/Genistein.html

$$$$
resveratrol.cdx
csChFnd80/04082409412D

 17 18  0  0  0  0  0  0  0  0999 V2000
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   11.0627    4.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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M  END
>  <Mol_ID> (13)
248

>  <Formula> (13)
C14H12O3

>  <MolWeight> (13)
228.24328

>  <Cat> (13)
S1396

>  <Name> (13)
Resveratrol (SRT501)

>  <Synonyms> (13)
trans-Resveratrol,SRT501

>  <Target> (13)
AMPK,Apoptosis related,Autophagy,COX,ERK,I¦ÊB/IKK,JNK,Lipoxygenase,Mitophagy,Sirtuin,Src,STAT

>  <Form> (13)
free base

>  <CAS> (13)
501-36-0

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

$$$$
AEE-788.cdx
csChFnd80/04082409412D

 33 37  0  0  0  0  0  0  0  0999 V2000
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 18 19  1  0  0  0  0
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 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
  3 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
 26 33  1  1  0  0  0
M  END
>  <Mol_ID> (14)
300

>  <Formula> (14)
C27H32N6

>  <MolWeight> (14)
440.58318

>  <Cat> (14)
S1486

>  <Name> (14)
AEE788 (NVP-AEE788)

>  <Synonyms> (14)
N/A

>  <Target> (14)
EGFR,HER2,VEGFR

>  <Form> (14)
free base

>  <CAS> (14)
497839-62-0

>  <URL> (14)
http://selleckchem.com/products/AEE788.html

$$$$
Fludarabine.cdx
csChFnd80/04082409412D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.6550    3.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4306    3.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1938    6.2217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5675    2.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3789    1.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  6  1  0  0  0  0
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 14  8  1  0  0  0  0
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  2 17  1  1  0  0  0
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  3 20  1  6  0  0  0
M  END
>  <Mol_ID> (15)
305

>  <Formula> (15)
C10H12FN5O4

>  <MolWeight> (15)
285.2317832

>  <Cat> (15)
S1491

>  <Name> (15)
Fludarabine (NSC 118218)

>  <Synonyms> (15)
FaraA, Fludarabinum, NSC 118218

>  <Target> (15)
Apoptosis related,DNA/RNA Synthesis,Nucleoside Analog/Antimetabolite,STAT

>  <Form> (15)
Free Base

>  <CAS> (15)
21679-14-1

>  <URL> (15)
http://selleckchem.com/products/Fludarabine(Fludara).html

$$$$

csChFnd80/04082409412D

 38 41  0  0  0  0  0  0  0  0999 V2000
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   10.0745  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (16)
356

>  <Formula> (16)
C27H30Cl2F2N6O

>  <MolWeight> (16)
563.4695064

>  <Cat> (16)
S2686

>  <Name> (16)
NVP-BSK805 2HCl

>  <Synonyms> (16)
BSK805

>  <Target> (16)
JAK

>  <Form> (16)
HCl

>  <CAS> (16)
1092499-93-8 (free base)

>  <URL> (16)
http://selleckchem.com/products/nvp-bsk805.html

$$$$
Artesunate.cdx
csChFnd80/04082409412D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (17)
387

>  <Formula> (17)
C19H28O8

>  <MolWeight> (17)
384.42082

>  <Cat> (17)
S2265

>  <Name> (17)
Artesunate (WR-256283)

>  <Synonyms> (17)
WR-256283

>  <Target> (17)
ADC Cytotoxin,STAT

>  <Form> (17)
free base

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

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

$$$$
Arry-380.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (18)
539

>  <Formula> (18)
C29H27N7O4S

>  <MolWeight> (18)
569.63418

>  <Cat> (18)
S2752

>  <Name> (18)
HER2-Inhibitor-1

>  <Synonyms> (18)
N/A

>  <Target> (18)
EGFR,HER2

>  <Form> (18)
free base

>  <CAS> (18)
937265-83-3

>  <URL> (18)
http://selleckchem.com/products/her2-inhibitor-1.html

$$$$
Lapatinib freebase.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (19)
548

>  <Formula> (19)
C29H26ClFN4O4S

>  <MolWeight> (19)
581.0575432

>  <Cat> (19)
S2111

>  <Name> (19)
Lapatinib (GW-572016)

>  <Synonyms> (19)
GSK572016, GW2016

>  <Target> (19)
Autophagy,EGFR,Ferroptosis,HER2

>  <Form> (19)
free base

>  <CAS> (19)
231277-92-2

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

$$$$
AST-1306.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (20)
570

>  <Formula> (20)
C31H26ClFN4O5S

>  <MolWeight> (20)
621.0783432

>  <Cat> (20)
S2185

>  <Name> (20)
Allitinib tosylate

>  <Synonyms> (20)
AST-1306 TsOH, AST-6

>  <Target> (20)
EGFR

>  <Form> (20)
Mesylate

>  <CAS> (20)
1050500-29-2

>  <URL> (20)
https://www.selleckchem.com/products/allitinib-tosylate.html

$$$$
TAK-285.cdx
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>  <Mol_ID> (21)
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>  <Name> (21)
TAK-285

>  <Synonyms> (21)
N/A

>  <Target> (21)
EGFR,HER2

>  <Form> (21)
free base

>  <CAS> (21)
871026-44-7

>  <URL> (21)
http://selleckchem.com/products/tak-285.html

$$$$
CEP33779.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (22)
614

>  <Formula> (22)
C24H26N6O2S

>  <MolWeight> (22)
462.56724

>  <Cat> (22)
S2806

>  <Name> (22)
CEP-33779

>  <Synonyms> (22)
N/A

>  <Target> (22)
JAK

>  <Form> (22)
free base

>  <CAS> (22)
1257704-57-6

>  <URL> (22)
http://selleckchem.com/products/cep33779.html

$$$$
Daphnetin.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (23)
652

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C9H6O4

>  <MolWeight> (23)
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Daphnetin

>  <Synonyms> (23)
N/A

>  <Target> (23)
EGFR,PKA,PKC

>  <Form> (23)
free base

>  <CAS> (23)
486-35-1

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

$$$$
LY2784544.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (24)
655

>  <Formula> (24)
C23H25ClFN7O

>  <MolWeight> (24)
469.9423032

>  <Cat> (24)
S2179

>  <Name> (24)
Gandotinib (LY2784544)

>  <Synonyms> (24)
N/A

>  <Target> (24)
JAK

>  <Form> (24)
free base

>  <CAS> (24)
1229236-86-5

>  <URL> (24)
http://selleckchem.com/products/LY2784544.html

$$$$
AZD8931.cdx
csChFnd80/04082409412D

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 14  2  1  0  0  0  0
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M  END
>  <Mol_ID> (25)
665

>  <Formula> (25)
C23H25ClFN5O3

>  <MolWeight> (25)
473.9277032

>  <Cat> (25)
S2192

>  <Name> (25)
Sapitinib (AZD8931)

>  <Synonyms> (25)
N/A

>  <Target> (25)
EGFR,HER2

>  <Form> (25)
free base

>  <CAS> (25)
848942-61-0

>  <URL> (25)
http://selleckchem.com/products/AZD8931.html

$$$$
SGI 1776 free base.cdx
csChFnd80/04082409412D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  4  9  1  0  0  0  0
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M  END
>  <Mol_ID> (26)
669

>  <Formula> (26)
C20H22F3N5O

>  <MolWeight> (26)
405.4167896

>  <Cat> (26)
S2198

>  <Name> (26)
SGI-1776 free base

>  <Synonyms> (26)
N/A

>  <Target> (26)
Apoptosis related,Autophagy,FLT3,Haspin Kinase,Pim

>  <Form> (26)
free base

>  <CAS> (26)
1025065-69-3

>  <URL> (26)
http://selleckchem.com/products/SGI-1776.html

$$$$
OSI 420.cdx
csChFnd80/04082409412D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (27)
672

>  <Formula> (27)
C21H22ClN3O4

>  <MolWeight> (27)
415.87008

>  <Cat> (27)
S2205

>  <Name> (27)
OSI-420

>  <Synonyms> (27)
DesMethyl Erlotinib (CP-473420) HCl

>  <Target> (27)
EGFR

>  <Form> (27)
Hydrochloride

>  <CAS> (27)
183320-51-6

>  <URL> (27)
http://selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

$$$$
Mubritinib.cdx
csChFnd80/04082409412D

 34 37  0  0  0  0  0  0  0  0999 V2000
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   11.6897    9.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2189   12.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6064   12.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1738   13.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5613   13.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1288   15.2442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4982   15.5352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6445   16.9276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3656   17.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4288   16.4566    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
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 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
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 30  1  0  0  0  0
M  END
>  <Mol_ID> (28)
677

>  <Formula> (28)
C25H23F3N4O2

>  <MolWeight> (28)
468.4709296

>  <Cat> (28)
S2216

>  <Name> (28)
Mubritinib (TAK 165)

>  <Synonyms> (28)
N/A

>  <Target> (28)
HER2

>  <Form> (28)
free base

>  <CAS> (28)
366017-09-6

>  <URL> (28)
http://selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/04082409412D

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

>  <Formula> (29)
C22H18O11

>  <MolWeight> (29)
458.37172

>  <Cat> (29)
S2250

>  <Name> (29)
(-)-Epigallocatechin Gallate

>  <Synonyms> (29)
EGCG

>  <Target> (29)
DNA Methyltransferase,EGFR,Fatty Acid Synthase,HER2,Telomerase

>  <Form> (29)
free base

>  <CAS> (29)
989-51-5

>  <URL> (29)
http://selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Cryptotanshinone.cdx
csChFnd80/04082409412D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    5.8451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    7.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  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  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  1  0  0  0
M  END
>  <Mol_ID> (30)
705

>  <Formula> (30)
C19H20O3

>  <MolWeight> (30)
296.3603

>  <Cat> (30)
S2285

>  <Name> (30)
Cryptotanshinone

>  <Synonyms> (30)
Tanshinone C

>  <Target> (30)
Apoptosis related,Autophagy,STAT

>  <Form> (30)
free base

>  <CAS> (30)
35825-57-1

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

$$$$
Chrysophanic acid.cdx
csChFnd80/04082409412D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (31)
762

>  <Formula> (31)
C15H10O4

>  <MolWeight> (31)
254.2375

>  <Cat> (31)
S2406

>  <Name> (31)
Chrysophanic Acid

>  <Synonyms> (31)
Chrysophanol

>  <Target> (31)
EGFR,mTOR

>  <Form> (31)
free base

>  <CAS> (31)
481-74-3

>  <URL> (31)
http://selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
Curcumol.cdx
csChFnd80/04082409412D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    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  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (32)
763

>  <Formula> (32)
C15H24O2

>  <MolWeight> (32)
236.34986

>  <Cat> (32)
S2407

>  <Name> (32)
Curcumol

>  <Synonyms> (32)
N/A

>  <Target> (32)
JAK

>  <Form> (32)
free base

>  <CAS> (32)
4871-97-0

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

$$$$
TG1012009.cdx
csChFnd80/04082409412D

 36 39  0  0  0  0  0  0  0  0999 V2000
    4.8371    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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c-RET,FLT3,JAK

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free base

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936091-14-4

>  <URL> (33)
http://selleckchem.com/products/tg101209.html

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>  <Name> (34)
Fedratinib (TG101348)

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SAR302503

>  <Target> (34)
Apoptosis related,c-RET,FLT3,JAK

>  <Form> (34)
free base

>  <CAS> (34)
936091-26-8

>  <URL> (34)
http://selleckchem.com/products/Fedratinib-SAR302503-TG101348.html

$$$$
PF299804.cdx
csChFnd80/04082409412D

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Dacomitinib (PF-00299804)

>  <Synonyms> (35)
PF299804,PF299

>  <Target> (35)
Apoptosis related,EGFR,HER2

>  <Form> (35)
free base

>  <CAS> (35)
1110813-31-4

>  <URL> (35)
http://selleckchem.com/products/pf299804.html

$$$$
AG-1478.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (36)
944

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>  <MolWeight> (36)
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>  <Synonyms> (36)
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>  <Target> (36)
EGFR,HCV,PI4K

>  <Form> (36)
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>  <CAS> (36)
153436-53-4,175178-82-2

>  <URL> (36)
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$$$$
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M  END
>  <Mol_ID> (37)
1015

>  <Formula> (37)
C14H22N2O

>  <MolWeight> (37)
234.33728

>  <Cat> (37)
S1357

>  <Name> (37)
Lidocaine

>  <Synonyms> (37)
Alphacaine

>  <Target> (37)
Histamine Receptor

>  <Form> (37)
Free Base

>  <CAS> (37)
137-58-6

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

$$$$
TPCA-1.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (38)
1024

>  <Formula> (38)
C12H10FN3O2S

>  <MolWeight> (38)
279.2901032

>  <Cat> (38)
S2824

>  <Name> (38)
TPCA-1

>  <Synonyms> (38)
GW683965

>  <Target> (38)
Apoptosis related,I¦ÊB/IKK,NF-¦ÊB,STAT

>  <Form> (38)
free base

>  <CAS> (38)
507475-17-4

>  <URL> (38)
http://selleckchem.com/products/tpca-1.html

$$$$
Varlitinib(ARRY-334543).cdx
csChFnd80/04082409412D

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>  <Mol_ID> (39)
1047

>  <Formula> (39)
C22H19ClN6O2S

>  <MolWeight> (39)
466.94326

>  <Cat> (39)
S2755

>  <Name> (39)
Varlitinib

>  <Synonyms> (39)
ARRY334543

>  <Target> (39)
EGFR

>  <Form> (39)
free base

>  <CAS> (39)
845272-21-1

>  <URL> (39)
http://selleckchem.com/products/arry334543.html

$$$$
WHI-P154.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (40)
1074

>  <Formula> (40)
C16H14BrN3O3

>  <MolWeight> (40)
376.20466

>  <Cat> (40)
S2867

>  <Name> (40)
WHI-P154

>  <Synonyms> (40)
N/A

>  <Target> (40)
EGFR,JAK

>  <Form> (40)
free base

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

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

$$$$
icotinib.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (41)
1148

>  <Formula> (41)
C22H21N3O4

>  <MolWeight> (41)
391.41984

>  <Cat> (41)
S2922

>  <Name> (41)
Icotinib (BPI-2009H)

>  <Synonyms> (41)
BPI-2009H

>  <Target> (41)
EGFR

>  <Form> (41)
free base

>  <CAS> (41)
610798-31-7

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

$$$$
nifuroxazide.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (42)
1347

>  <Formula> (42)
C12H9N3O5

>  <MolWeight> (42)
275.21696

>  <Cat> (42)
S4182

>  <Name> (42)
Nifuroxazide

>  <Synonyms> (42)
N/A

>  <Target> (42)
STAT

>  <Form> (42)
free base

>  <CAS> (42)
965-52-6

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

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/04082409412D

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>  <Mol_ID> (43)
1503

>  <Formula> (43)
C24H25ClFN5O3

>  <MolWeight> (43)
485.9384032

>  <Cat> (43)
S1011

>  <Name> (43)
Afatinib (BIBW2992)

>  <Synonyms> (43)
BIBW2992

>  <Target> (43)
Autophagy,EGFR,HER2

>  <Form> (43)
Free Base

>  <CAS> (43)
850140-72-6

>  <URL> (43)
http://selleckchem.com/products/BIBW2992.html

$$$$
BMS-599626 (AC480).cdx
csChFnd80/04082409412D

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>  <Mol_ID> (44)
1533

>  <Formula> (44)
C27H27FN8O3

>  <MolWeight> (44)
530.5534832

>  <Cat> (44)
S1056

>  <Name> (44)
AC480 (BMS-599626)

>  <Synonyms> (44)
N/A

>  <Target> (44)
EGFR,HER2

>  <Form> (44)
free base

>  <CAS> (44)
714971-09-2

>  <URL> (44)
http://selleckchem.com/products/BMS-599626.html

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (45)
1655

>  <Formula> (45)
C14H23ClN2O

>  <MolWeight> (45)
270.79822

>  <Cat> (45)
S4667

>  <Name> (45)
Lidocaine hydrochloride

>  <Synonyms> (45)
Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (45)
EGFR

>  <Form> (45)
hydrochloride

>  <CAS> (45)
73-78-9

>  <URL> (45)
http://selleckchem.com/products/lidocaine-hydrochloride.html

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/04082409412D

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  5 11  2  0  0  0  0
  6 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (46)
1799

>  <Formula> (46)
C17H17N3Na2O8

>  <MolWeight> (46)
437.31172

>  <Cat> (46)
S3745

>  <Name> (46)
Balsalazide disodium

>  <Synonyms> (46)
N/A

>  <Target> (46)
Immunology & Inflammation related,Interleukins,STAT

>  <Form> (46)
disodium salt dihydrate

>  <CAS> (46)
150399-21-6

>  <URL> (46)
http://selleckchem.com/products/balsalazide-disodium.html

$$$$
S3759 Norcantharidin.cdx
csChFnd80/04082409412D

 12 14  0  0  0  0  0  0  0  0999 V2000
    0.2182    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    1.4028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5609    1.7635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5640    3.1635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2213    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.8028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.8915    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7168    2.4587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444    3.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4040    4.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  6  1  0  0  0  0
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  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
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 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (47)
1876

>  <Formula> (47)
C8H8O4

>  <MolWeight> (47)
168.14672

>  <Cat> (47)
S3759

>  <Name> (47)
Norcantharidin

>  <Synonyms> (47)
Endothall anhydride

>  <Target> (47)
c-Met,EGFR

>  <Form> (47)
free base

>  <CAS> (47)
29745-04-8

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

$$$$
S3787 Picroside I.cdx
csChFnd80/04082409412D

 38 42  0  0  0  0  0  0  0  0999 V2000
   15.8873    5.8563    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7069    6.9896    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5571    6.2863    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.2798    5.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5998    4.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8844    8.1151    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5571    7.6825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3438    5.5857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.3143    9.4475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3495    8.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3438    4.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9297    1.4027    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9297    0.0000    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  6  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  4  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 25  1  6  0  0  0
  6  9  1  6  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  6  0  0  0
  8 11  1  6  0  0  0
  8 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  6  0  0  0
 17 20  1  0  0  0  0
 17 21  1  1  0  0  0
 18 22  1  1  0  0  0
 18 20  1  0  0  0  0
 20 23  1  6  0  0  0
 21 24  1  0  0  0  0
  5 27  1  0  0  0  0
 14 28  1  6  0  0  0
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
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 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 33  1  0  0  0  0
M  END
>  <Mol_ID> (48)
1885

>  <Formula> (48)
C24H28O11

>  <MolWeight> (48)
492.47252

>  <Cat> (48)
S3787

>  <Name> (48)
Picroside I

>  <Synonyms> (48)
6'-Cinnamoylcatalpol

>  <Target> (48)
Anti-infection

>  <Form> (48)
free base

>  <CAS> (48)
27409-30-9

>  <URL> (48)
http://selleckchem.com/products/picroside-i.html

$$$$
PD168393.cdx
csChFnd80/04082409412D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.8329    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0453    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6827    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  7  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 15  2  0  0  0  0
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 17 18  2  0  0  0  0
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 22 17  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (49)
1973

>  <Formula> (49)
C17H13BrN4O

>  <MolWeight> (49)
369.21532

>  <Cat> (49)
S7039

>  <Name> (49)
PD168393

>  <Synonyms> (49)
N/A

>  <Target> (49)
EGFR

>  <Form> (49)
free base

>  <CAS> (49)
194423-15-9

>  <URL> (49)
http://selleckchem.com/products/pd168393.html

$$$$
CNX-2006.cdx
csChFnd80/04082409412D

 39 42  0  0  0  0  0  0  0  0999 V2000
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   10.9035    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  0  0  0  0
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 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 12 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
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 29 24  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 32  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
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M  END
>  <Mol_ID> (50)
1998

>  <Formula> (50)
C26H27F4N7O2

>  <MolWeight> (50)
545.5318928

>  <Cat> (50)
S7206

>  <Name> (50)
CNX-2006

>  <Synonyms> (50)
N/A

>  <Target> (50)
EGFR

>  <Form> (50)
free base

>  <CAS> (50)
1375465-09-0

>  <URL> (50)
http://selleckchem.com/products/cnx-2006.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/04082409412D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (51)
2233

>  <Formula> (51)
C21H18O12

>  <MolWeight> (51)
462.36042

>  <Cat> (51)
S3810

>  <Name> (51)
Scutellarin

>  <Synonyms> (51)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (51)
Akt,NF-¦ÊB,STAT

>  <Form> (51)
free base

>  <CAS> (51)
27740-01-8

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

$$$$
untitled.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (52)
2234

>  <Formula> (52)
C24H25ClFN5O3

>  <MolWeight> (52)
485.9384032

>  <Cat> (52)
S1019

>  <Name> (52)
Canertinib (CI-1033)

>  <Synonyms> (52)
PD183805

>  <Target> (52)
EGFR,HER2

>  <Form> (52)
Free Base

>  <CAS> (52)
267243-28-7

>  <URL> (52)
http://selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (53)
2237

>  <Formula> (53)
C22H24BrFN4O2

>  <MolWeight> (53)
475.3539632

>  <Cat> (53)
S1046

>  <Name> (53)
Vandetanib (ZD6474)

>  <Synonyms> (53)
ZD6474

>  <Target> (53)
Apoptosis related,Autophagy,EGFR,ROS,VEGFR

>  <Form> (53)
free base

>  <CAS> (53)
443913-73-3

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

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (54)
2261

>  <Formula> (54)
C11H6F3NO2S

>  <MolWeight> (54)
273.2310496

>  <Cat> (54)
S8005

>  <Name> (54)
SMI-4a

>  <Synonyms> (54)
TCS PIM-1 4a

>  <Target> (54)
Pim

>  <Form> (54)
free base

>  <CAS> (54)
438190-29-5

>  <URL> (54)
http://selleckchem.com/products/smi-4a.html

$$$$
AP26113.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (55)
2274

>  <Formula> (55)
C26H34ClN6O2P

>  <MolWeight> (55)
529.013921

>  <Cat> (55)
S7000

>  <Name> (55)
AP26113-analog (ALK-IN-1)

>  <Synonyms> (55)
N/A

>  <Target> (55)
ALK,EGFR

>  <Form> (55)
free base

>  <CAS> (55)
1197958-12-5

>  <URL> (55)
http://selleckchem.com/products/ap26113.html

$$$$
STATTIC.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (56)
2298

>  <Formula> (56)
C8H5NO4S

>  <MolWeight> (56)
211.1946

>  <Cat> (56)
S7024

>  <Name> (56)
Stattic

>  <Synonyms> (56)
N/A

>  <Target> (56)
Apoptosis related,STAT

>  <Form> (56)
free base

>  <CAS> (56)
19983-44-9

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

$$$$
Butein.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (57)
2304

>  <Formula> (57)
C15H12O5

>  <MolWeight> (57)
272.25278

>  <Cat> (57)
S8036

>  <Name> (57)
Butein

>  <Synonyms> (57)
N/A

>  <Target> (57)
EGFR

>  <Form> (57)
free base

>  <CAS> (57)
487-52-5

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

$$$$
s1023.cdx
csChFnd80/04082409412D

 30 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (58)
2320

>  <Formula> (58)
C22H24ClN3O4

>  <MolWeight> (58)
429.89666

>  <Cat> (58)
S1023

>  <Name> (58)
Erlotinib (OSI-774) HCl

>  <Synonyms> (58)
CP358774, NSC 718781,OSI-774 HCl

>  <Target> (58)
Autophagy,EGFR

>  <Form> (58)
Hydrochloride

>  <CAS> (58)
183319-69-9

>  <URL> (58)
http://selleckchem.com/products/Erlotinib-Hydrochloride.html

$$$$
AZ5104.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (59)
2435

>  <Formula> (59)
C27H31N7O2

>  <MolWeight> (59)
485.58074

>  <Cat> (59)
S7298

>  <Name> (59)
AZ5104

>  <Synonyms> (59)
N/A

>  <Target> (59)
EGFR

>  <Form> (59)
free base

>  <CAS> (59)
1421373-98-9

>  <URL> (59)
http://selleckchem.com/products/az5104.html

$$$$
FLLL32.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (60)
2464

>  <Formula> (60)
C28H32O6

>  <MolWeight> (60)
464.55008

>  <Cat> (60)
S7259

>  <Name> (60)
FLLL32

>  <Synonyms> (60)
N/A

>  <Target> (60)
IFN,Interleukins,JAK

>  <Form> (60)
free base

>  <CAS> (60)
1226895-15-3

>  <URL> (60)
http://selleckchem.com/products/flll32.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/04082409412D

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    6.3695    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (61)
2560

>  <Formula> (61)
C16H10BrN3O2

>  <MolWeight> (61)
356.1735

>  <Cat> (61)
S7198

>  <Name> (61)
BIO

>  <Synonyms> (61)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime, 6-Bromoindirubin-3'-oxime, MLS 2052

>  <Target> (61)
Apoptosis related,CDK,GSK-3,JAK

>  <Form> (61)
free base

>  <CAS> (61)
667463-62-9

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

$$$$
ZM39923 HCl.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (62)
2569

>  <Formula> (62)
C23H26ClNO

>  <MolWeight> (62)
367.91164

>  <Cat> (62)
S8004

>  <Name> (62)
ZM 39923 HCl

>  <Synonyms> (62)
N/A

>  <Target> (62)
JAK

>  <Form> (62)
HCl

>  <CAS> (62)
1021868-92-7

>  <URL> (62)
http://selleckchem.com/products/zm-39923-hcl.html

$$$$
CO-1686(AVL-301).cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (63)
2584

>  <Formula> (63)
C27H28F3N7O3

>  <MolWeight> (63)
555.5515296

>  <Cat> (63)
S7284

>  <Name> (63)
Rociletinib (CO-1686)

>  <Synonyms> (63)
AVL-301

>  <Target> (63)
EGFR

>  <Form> (63)
free base

>  <CAS> (63)
1374640-70-6

>  <URL> (63)
http://selleckchem.com/products/co-1686.html

$$$$
pimozide.cdx
csChFnd80/04082409412D

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C28H29F2N3O

>  <MolWeight> (64)
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>  <Name> (64)
Pimozide

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Orap, R6238

>  <Target> (64)
5-HT Receptor,Adrenergic Receptor,Dopamine Receptor,STAT

>  <Form> (64)
Free Base

>  <CAS> (64)
2062-78-4

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

$$$$
XL019.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (65)
2644

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C25H28N6O2

>  <MolWeight> (65)
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>  <Name> (65)
XL019

>  <Synonyms> (65)
N/A

>  <Target> (65)
JAK

>  <Form> (65)
free base

>  <CAS> (65)
945755-56-6

>  <URL> (65)
http://selleckchem.com/products/xl019.html

$$$$
Pacritinib (SB1518).cdx
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2658

>  <Formula> (66)
C28H32N4O3

>  <MolWeight> (66)
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>  <Cat> (66)
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>  <Name> (66)
Pacritinib (SB1518)

>  <Synonyms> (66)
N/A

>  <Target> (66)
FLT3,JAK

>  <Form> (66)
free base

>  <CAS> (66)
937272-79-2

>  <URL> (66)
http://selleckchem.com/products/pacritinib-sb1518.html

$$$$
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 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 30 36  1  0  0  0  0
 11 37  1  0  0  0  0
M  END
>  <Mol_ID> (67)
2734

>  <Formula> (67)
C28H33N7O2

>  <MolWeight> (67)
499.60732

>  <Cat> (67)
S7297

>  <Name> (67)
Osimertinib (AZD9291)

>  <Synonyms> (67)
Mereletinib

>  <Target> (67)
EGFR

>  <Form> (67)
free base

>  <CAS> (67)
1421373-65-0

>  <URL> (67)
http://selleckchem.com/products/azd9291.html

$$$$
AZD1208.cdx
csChFnd80/04082409412D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.6081    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4617    8.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    8.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    7.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    6.4306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    9.3291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3246    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
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 10 14  1  1  0  0  0
  7 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  7  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 25 21  1  0  0  0  0
 22 26  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (68)
2758

>  <Formula> (68)
C21H21N3O2S

>  <MolWeight> (68)
379.47534

>  <Cat> (68)
S7104

>  <Name> (68)
AZD1208

>  <Synonyms> (68)
N/A

>  <Target> (68)
Apoptosis related,Autophagy,Pim

>  <Form> (68)
free base

>  <CAS> (68)
1204144-28-4

>  <URL> (68)
http://selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/04082409412D

 34 37  0  0  0  0  0  0  0  0999 V2000
    5.5195    3.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5195    1.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320    1.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9444    1.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9444    3.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320    3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071    3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0947    3.2964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379    4.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6001    3.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7886    1.1567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730    0.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1993    1.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071    5.3964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1568    3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4358    3.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3726    4.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6726    5.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3032    5.3887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2420    6.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4191    8.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8517    9.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5865    9.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0191    8.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2803    8.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7129    7.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0823    7.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7761    6.3017    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1832    9.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9013    1.2195    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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 14  8  1  0  0  0  0
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 12 16  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 21 17  1  0  0  0  0
 20 22  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 23  1  0  0  0  0
 26 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 27  1  0  0  0  0
 30 32  1  0  0  0  0
 24 33  2  0  0  0  0
M  END
>  <Mol_ID> (69)
2761

>  <Formula> (69)
C26H25Cl2N3O3

>  <MolWeight> (69)
498.401

>  <Cat> (69)
S7041

>  <Name> (69)
CX-6258 HCl

>  <Synonyms> (69)
N/A

>  <Target> (69)
Pim

>  <Form> (69)
Hydrochloride

>  <CAS> (69)
1353859-00-3

>  <URL> (69)
http://selleckchem.com/products/CX-6258.html

$$$$
HO-3867.cdx
csChFnd80/04082409412D

 35 38  0  0  0  0  0  0  0  0999 V2000
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    8.4870    5.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    8.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6396    3.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20  9  1  0  0  0  0
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 13 22  1  0  0  0  0
  6 23  2  0  0  0  0
  3 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 29 25  2  0  0  0  0
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 27 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (70)
2787

>  <Formula> (70)
C28H30F2N2O2

>  <MolWeight> (70)
464.5468064

>  <Cat> (70)
S7501

>  <Name> (70)
HO-3867

>  <Synonyms> (70)
N/A

>  <Target> (70)
Apoptosis related,STAT

>  <Form> (70)
free base

>  <CAS> (70)
1172133-28-6

>  <URL> (70)
http://selleckchem.com/products/ho-3867.html

$$$$
SH-4-54.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (71)
2795

>  <Formula> (71)
C29H27F5N2O5S

>  <MolWeight> (71)
610.592096

>  <Cat> (71)
S7337

>  <Name> (71)
SH-4-54

>  <Synonyms> (71)
N/A

>  <Target> (71)
STAT

>  <Form> (71)
free base

>  <CAS> (71)
1456632-40-8

>  <URL> (71)
http://selleckchem.com/products/sh-4-54.html

$$$$
filgotinib.cdx
csChFnd80/04082409412D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (72)
2822

>  <Formula> (72)
C21H23N5O3S

>  <MolWeight> (72)
425.50402

>  <Cat> (72)
S7605

>  <Name> (72)
Filgotinib (GLPG0634)

>  <Synonyms> (72)
N/A

>  <Target> (72)
JAK

>  <Form> (72)
free base

>  <CAS> (72)
1206161-97-8

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

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/04082409412D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (73)
2859

>  <Formula> (73)
C20H28ClN7O3S

>  <MolWeight> (73)
481.99942

>  <Cat> (73)
S7634

>  <Name> (73)
Cerdulatinib (PRT062070) hydrochloride

>  <Synonyms> (73)
PRT2070 hydrochloride

>  <Target> (73)
JAK,Syk

>  <Form> (73)
hydrochloride

>  <CAS> (73)
1369761-01-2

>  <URL> (73)
http://selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/04082409412D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (74)
2896

>  <Formula> (74)
C23H21Cl2FN4O3

>  <MolWeight> (74)
491.3422432

>  <Cat> (74)
S7358

>  <Name> (74)
Poziotinib (HM781-36B)

>  <Synonyms> (74)
NOV120101

>  <Target> (74)
Apoptosis related,EGFR,HER2

>  <Form> (74)
free base

>  <CAS> (74)
1092364-38-9

>  <URL> (74)
http://selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
Erlotinib free Base.cdx
csChFnd80/04082409412D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (75)
2939

>  <Formula> (75)
C22H23N3O4

>  <MolWeight> (75)
393.43572

>  <Cat> (75)
S7786

>  <Name> (75)
Erlotinib (OSI-774)

>  <Synonyms> (75)
CP358774, NSC 718781, Tarceva

>  <Target> (75)
Autophagy,EGFR

>  <Form> (75)
free base

>  <CAS> (75)
183321-74-6

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

$$$$
CL-387785.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (76)
2941

>  <Formula> (76)
C18H13BrN4O

>  <MolWeight> (76)
381.22602

>  <Cat> (76)
S7557

>  <Name> (76)
CL-387785 (EKI-785)

>  <Synonyms> (76)
WAY-EKI 785

>  <Target> (76)
EGFR

>  <Form> (76)
free base

>  <CAS> (76)
194423-06-8

>  <URL> (76)
http://selleckchem.com/products/cl-387785-eki-785.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (77)
2953

>  <Formula> (77)
C32H33ClFN5O11

>  <MolWeight> (77)
718.0827232

>  <Cat> (77)
S7810

>  <Name> (77)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (77)
N/A

>  <Target> (77)
Autophagy,EGFR,HER2

>  <Form> (77)
Dimaleate

>  <CAS> (77)
850140-73-7

>  <URL> (77)
http://selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
BBI608(Napabucasin.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (78)
2996

>  <Formula> (78)
C14H8O4

>  <MolWeight> (78)
240.21092

>  <Cat> (78)
S7977

>  <Name> (78)
Napabucasin (BBI608)

>  <Synonyms> (78)
BBI608

>  <Target> (78)
STAT

>  <Form> (78)
free base

>  <CAS> (78)
83280-65-3

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

$$$$
ASP015K.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (79)
3002

>  <Formula> (79)
C18H22N4O2

>  <MolWeight> (79)
326.39288

>  <Cat> (79)
S7650

>  <Name> (79)
Peficitinib (ASP015K)

>  <Synonyms> (79)
JNJ-54781532

>  <Target> (79)
JAK

>  <Form> (79)
free base

>  <CAS> (79)
944118-01-8

>  <URL> (79)
http://selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
LM-3334 VX-509.cdx
csChFnd80/04082409412D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (80)
3026

>  <Formula> (80)
C18H19F3N6O

>  <MolWeight> (80)
392.3782696

>  <Cat> (80)
S7541

>  <Name> (80)
Decernotinib (VX-509)

>  <Synonyms> (80)
N/A

>  <Target> (80)
JAK

>  <Form> (80)
free base

>  <CAS> (80)
944842-54-0

>  <URL> (80)
http://selleckchem.com/products/decernotinib-vx-509.html

$$$$
AZD3759.cdx
csChFnd80/04082409412D

 32 35  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> (81)
3029

>  <Formula> (81)
C22H23ClFN5O3

>  <MolWeight> (81)
459.9011232

>  <Cat> (81)
S7971

>  <Name> (81)
Zorifertinib (AZD3759)

>  <Synonyms> (81)
N/A

>  <Target> (81)
EGFR

>  <Form> (81)
free base

>  <CAS> (81)
1626387-80-1

>  <URL> (81)
http://selleckchem.com/products/azd3759.html

$$$$
STA-21.cdx
csChFnd80/04082409412D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (82)
3055

>  <Formula> (82)
C19H14O4

>  <MolWeight> (82)
306.31206

>  <Cat> (82)
S7951

>  <Name> (82)
Ochromycinone (STA-21)

>  <Synonyms> (82)
N/A

>  <Target> (82)
STAT

>  <Form> (82)
free base

>  <CAS> (82)
111540-00-2

>  <URL> (82)
http://selleckchem.com/products/sta-21.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/04082409412D

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.5273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 17 12  1  0  0  0  0
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M  END
>  <Mol_ID> (83)
3077

>  <Formula> (83)
C19H27N5O6S

>  <MolWeight> (83)
453.51258

>  <Cat> (83)
S8195

>  <Name> (83)
Oclacitinib?maleate

>  <Synonyms> (83)
PF-03394197

>  <Target> (83)
JAK

>  <Form> (83)
maleate

>  <CAS> (83)
1640292-55-2

>  <URL> (83)
http://selleckchem.com/products/oclacitinib-maleate.html

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/04082409412D

 35 39  0  0  0  0  0  0  0  0999 V2000
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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BTK,EGFR

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free base

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1353550-13-6

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http://selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

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EGFR

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free base

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1942114-09-1

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http://selleckchem.com/products/eai045.html

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EGFR

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free base

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113104-25-9

>  <URL> (86)
http://selleckchem.com/products/nsc228155.html

$$$$
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1271022-90-2

>  <URL> (87)
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>  <Mol_ID> (88)
3223

>  <Formula> (88)
C15H20O2

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

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

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

>  <Form> (88)
free base

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

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

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
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>  <Mol_ID> (89)
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>  <Formula> (89)
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>  <MolWeight> (89)
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>  <Cat> (89)
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>  <Name> (89)
Tucatinib

>  <Synonyms> (89)
Irbinitinib, ONT-380, ARRY-380

>  <Target> (89)
EGFR,HER2

>  <Form> (89)
free base

>  <CAS> (89)
937263-43-9

>  <URL> (89)
http://selleckchem.com/products/arry-380-ont-380.html

$$$$
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N/A

>  <Target> (90)
STAT

>  <Form> (90)
free base

>  <CAS> (90)
1334493-07-0

>  <URL> (90)
http://selleckchem.com/products/bp-1-102.html

$$$$
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csChFnd80/04082409412D

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>  <Synonyms> (91)
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>  <Target> (91)
STAT

>  <Form> (91)
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>  <CAS> (91)
1456632-41-9

>  <URL> (91)
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$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/04082409412D

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>  <Mol_ID> (92)
3308

>  <Formula> (92)
C30H42N8O3

>  <MolWeight> (92)
562.70628

>  <Cat> (92)
S8412

>  <Name> (92)
Naquotinib(ASP8273)

>  <Synonyms> (92)
N/A

>  <Target> (92)
EGFR

>  <Form> (92)
free base

>  <CAS> (92)
1448232-80-1

>  <URL> (92)
http://selleckchem.com/products/naquotinib-asp8273.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (93)
3315

>  <Formula> (93)
C15H18O2

>  <MolWeight> (93)
230.30222

>  <Cat> (93)
S8291

>  <Name> (93)
Atractylenolide I

>  <Synonyms> (93)
N/A

>  <Target> (93)
Immunology & Inflammation related

>  <Form> (93)
free base

>  <CAS> (93)
73069-13-3

>  <URL> (93)
http://selleckchem.com/products/atractylenolide-i.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/04082409412D

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 11  7  1  1  0  0  0
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M  END
>  <Mol_ID> (94)
3325

>  <Formula> (94)
C26H31ClN6O2

>  <MolWeight> (94)
495.01634

>  <Cat> (94)
S7824

>  <Name> (94)
Nazartinib (EGF816)

>  <Synonyms> (94)
NVS-816

>  <Target> (94)
EGFR

>  <Form> (94)
free base

>  <CAS> (94)
1508250-71-2

>  <URL> (94)
http://selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
HJC0152.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (95)
3392

>  <Formula> (95)
C15H14Cl3N3O4

>  <MolWeight> (95)
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>  <Cat> (95)
S8561

>  <Name> (95)
HJC0152

>  <Synonyms> (95)
N/A

>  <Target> (95)
STAT

>  <Form> (95)
hydrochloride

>  <CAS> (95)
1420290-99-8

>  <URL> (95)
http://selleckchem.com/products/hjc0152.html

$$$$
C188-9.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (96)
3447

>  <Formula> (96)
C27H21NO5S

>  <MolWeight> (96)
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S8605

>  <Name> (96)
C188-9

>  <Synonyms> (96)
TTI 101

>  <Target> (96)
STAT

>  <Form> (96)
free base

>  <CAS> (96)
432001-19-9

>  <URL> (96)
http://selleckchem.com/products/c188-9.html

$$$$
S4770 Creatine phosphate disodium salt.cdx
csChFnd80/04082409412D

 15 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (97)
3485

>  <Formula> (97)
C4H8N3Na2O5P

>  <MolWeight> (97)
255.076721

>  <Cat> (97)
S4770

>  <Name> (97)
Creatine phosphate disodium salt

>  <Synonyms> (97)
Phosphocreatine disodium salt

>  <Target> (97)
Others

>  <Form> (97)
disodium salt

>  <CAS> (97)
922-32-7

>  <URL> (97)
http://selleckchem.com/products/creatine-phosphate-disodium-salt.html

$$$$
PF-06651600.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (98)
3502

>  <Formula> (98)
C15H19N5O

>  <MolWeight> (98)
285.34426

>  <Cat> (98)
S8538

>  <Name> (98)
Ritlecitinib (PF-06651600)

>  <Synonyms> (98)
N/A

>  <Target> (98)
JAK

>  <Form> (98)
free base

>  <CAS> (98)
1792180-81-4

>  <URL> (98)
http://selleckchem.com/products/pf-06651600.html

$$$$
AS1517499.cdx
csChFnd80/04082409412D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (99)
3601

>  <Formula> (99)
C20H20ClN5O2

>  <MolWeight> (99)
397.8581

>  <Cat> (99)
S8685

>  <Name> (99)
AS1517499

>  <Synonyms> (99)
N/A

>  <Target> (99)
STAT

>  <Form> (99)
free base

>  <CAS> (99)
919486-40-1

>  <URL> (99)
http://selleckchem.com/products/as1517499.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/04082409412D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (100)
3682

>  <Formula> (100)
C22H25Cl2FN4O3

>  <MolWeight> (100)
483.3633032

>  <Cat> (100)
S5098

>  <Name> (100)
Gefitinib hydrochloride

>  <Synonyms> (100)
ZD1839 hydrochloride

>  <Target> (100)
EGFR

>  <Form> (100)
hydrochloride

>  <CAS> (100)
184475-55-6

>  <URL> (100)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/04082409412D

 60 67  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (101)
3824

>  <Formula> (101)
C42H68O13

>  <MolWeight> (101)
780.98152

>  <Cat> (101)
S5454

>  <Name> (101)
Saikosaponin D

>  <Synonyms> (101)
N/A

>  <Target> (101)
ATPase

>  <Form> (101)
free base

>  <CAS> (101)
20874-52-6

>  <URL> (101)
http://selleckchem.com/products/saikosaponin-d.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/04082409412D

 72 80  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (102)
3872

>  <Formula> (102)
C49H76O20

>  <MolWeight> (102)
985.11574

>  <Cat> (102)
S5554

>  <Name> (102)
Lanatoside C

>  <Synonyms> (102)
N/A

>  <Target> (102)
Akt,Antiviral,Apoptosis related,Autophagy,JAK,mTOR,PI3K,STAT,Wnt/beta-catenin

>  <Form> (102)
free base

>  <CAS> (102)
17575-22-3

>  <URL> (102)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5588 Creatine.cdx
csChFnd80/04082409412D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (103)
3894

>  <Formula> (103)
C4H9N3O2

>  <MolWeight> (103)
131.13316

>  <Cat> (103)
S5588

>  <Name> (103)
Creatine

>  <Synonyms> (103)
Methylguanidoacetic acid

>  <Target> (103)
IFN,JAK

>  <Form> (103)
free base

>  <CAS> (103)
57-00-1

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

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/04082409412D

 26 27  0  0  0  0  0  0  0  0999 V2000
    9.6999    5.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (104)
3913

>  <Formula> (104)
C20H18O6

>  <MolWeight> (104)
354.35332

>  <Cat> (104)
S3934

>  <Name> (104)
Acetyl Resveratrol

>  <Synonyms> (104)
N/A

>  <Target> (104)
Others

>  <Form> (104)
free base

>  <CAS> (104)
42206-94-0

>  <URL> (104)
https://www.selleckchem.com/products/acetyl-resveratrol.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (105)
3974

>  <Formula> (105)
C30H34N8O3

>  <MolWeight> (105)
554.64276

>  <Cat> (105)
S8724

>  <Name> (105)
Lazertinib

>  <Synonyms> (105)
YH25448,GNS-1480

>  <Target> (105)
EGFR

>  <Form> (105)
free base

>  <CAS> (105)
1903008-80-9

>  <URL> (105)
http://selleckchem.com/products/lazertinib-yh25448-gns-1480.html

$$$$
S9414 Cyasterone.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (106)
4041

>  <Formula> (106)
C29H44O8

>  <MolWeight> (106)
520.65486

>  <Cat> (106)
S9414

>  <Name> (106)
Cyasterone

>  <Target> (106)
EGFR

>  <Form> (106)
free base

>  <CAS> (106)
17086-76-9

>  <URL> (106)
https://www.selleckchem.com/products/cyasterone.html

$$$$

csChFnd80/04082409412D

 12 12  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (107)
4101

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C6H6Br6

>  <MolWeight> (107)
557.53584

>  <Cat> (107)
S5902

>  <Name> (107)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (107)
NSC7908

>  <Target> (107)
JAK

>  <Form> (107)
Free Base

>  <CAS> (107)
1837-91-8

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

$$$$

csChFnd80/04082409412D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (108)
4102

>  <Formula> (108)
C16H15N3O3

>  <MolWeight> (108)
297.3086

>  <Cat> (108)
S5903

>  <Name> (108)
JANEX-1

>  <Synonyms> (108)
WHI-P131

>  <Target> (108)
JAK

>  <Form> (108)
Free Base

>  <CAS> (108)
202475-60-3

>  <URL> (108)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/04082409412D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.7234    6.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5104    6.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    4.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7299    4.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    4.2130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    2.1182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    2.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9368    4.1992    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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   10.9361    6.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (109)
4103

>  <Formula> (109)
C16H13Br2N3O3

>  <MolWeight> (109)
455.10072

>  <Cat> (109)
S5904

>  <Name> (109)
WHI-P97

>  <Synonyms> (109)
N/A

>  <Target> (109)
JAK

>  <Form> (109)
Free Base

>  <CAS> (109)
211555-05-4

>  <URL> (109)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/04082409412D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    8.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    5.3407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4046    3.9712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5456    3.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7579    3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3327    5.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6850    4.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3227    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0473    6.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0373    4.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
  7 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  2  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
 24 27  1  0  0  0  0
 22 24  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 19 22  1  0  0  0  0
 11 16  1  0  0  0  0
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M  END
>  <Mol_ID> (110)
4114

>  <Formula> (110)
C22H23N5O2

>  <MolWeight> (110)
389.45032

>  <Cat> (110)
S5917

>  <Name> (110)
Solcitinib

>  <Synonyms> (110)
GLPG0778, GSK2586184

>  <Target> (110)
JAK

>  <Form> (110)
Free Base

>  <CAS> (110)
1206163-45-2

>  <URL> (110)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/04082409412D

 36 40  0  0  0  0  0  0  0  0999 V2000
    3.6373   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6414   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4 12  1  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
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 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (111)
4153

>  <Formula> (111)
C26H26FN7O2

>  <MolWeight> (111)
487.5287432

>  <Cat> (111)
S8741

>  <Name> (111)
Avitinib (AC0010)

>  <Synonyms> (111)
Abivertinib

>  <Target> (111)
BTK,EGFR

>  <Form> (111)
Free Base

>  <CAS> (111)
1557267-42-1

>  <URL> (111)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/04082409412D

 40 44  0  0  0  0  0  0  0  0999 V2000
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   11.7320    1.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1445    2.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (112)
4173

>  <Formula> (112)
C29H39NO9

>  <MolWeight> (112)
545.62126

>  <Cat> (112)
S9015

>  <Name> (112)
Homoharringtonine (CGX-635)

>  <Synonyms> (112)
Omacetaxine mepesuccinate, HHT, Myelostat, NSC 141633

>  <Target> (112)
STAT

>  <CAS> (112)
26833-87-4

>  <URL> (112)
https://www.selleckchem.com/products/homoharringtonine.html

$$$$
S9100 Fraxinellone.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (113)
4235

>  <Formula> (113)
C14H16O3

>  <MolWeight> (113)
232.27504

>  <Cat> (113)
S9100

>  <Name> (113)
Fraxinellone

>  <Target> (113)
Immunology & Inflammation related

>  <Form> (113)
free base

>  <CAS> (113)
28808-62-0

>  <URL> (113)
https://www.selleckchem.com/products/fraxinellone.html

$$$$
S9288 Casticin.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (114)
4378

>  <Formula> (114)
C19H18O8

>  <MolWeight> (114)
374.34142

>  <Cat> (114)
S9288

>  <Name> (114)
Casticin

>  <Synonyms> (114)
Vitexicarpin

>  <Target> (114)
Immunology & Inflammation related

>  <Form> (114)
free base

>  <CAS> (114)
479-91-4

>  <URL> (114)
https://www.selleckchem.com/products/casticin.html

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/04082409412D

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 52 53  1  0  0  0  0
 53 54  2  0  0  0  0
 54 55  1  0  0  0  0
 55 51  1  0  0  0  0
 54 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
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 60 62  2  0  0  0  0
 60 63  1  0  0  0  0
M  END
>  <Mol_ID> (115)
4552

>  <Formula> (115)
C43H44ClFN4O11S3

>  <MolWeight> (115)
943.4760632

>  <Cat> (115)
S5241

>  <Name> (115)
Lapatinib ditosylate monohydrate

>  <Synonyms> (115)
Lapatinib ditoluenesulfonate monohydrate, Lapatinib tosilate, Lapatinib tosilate hydrate

>  <Target> (115)
HER2

>  <Form> (115)
ditosylate monohydrate

>  <CAS> (115)
388082-78-8

>  <URL> (115)
https://www.selleckchem.com/products/lapatinib-ditosylate-monohydrate.html

$$$$

csChFnd80/04082409412D

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
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 11 12  1  0  0  0  0
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 13  7  1  0  0  0  0
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 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
  9 18  2  0  0  0  0
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 18 24  1  0  0  0  0
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 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 30 36  1  0  0  0  0
 11 37  1  0  0  0  0
 38 39  1  0  0  0  0
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 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (116)
4611

>  <Formula> (116)
C29H37N7O5S

>  <MolWeight> (116)
595.71298

>  <Cat> (116)
S5078

>  <Name> (116)
Osimertinib mesylate

>  <Synonyms> (116)
AZD9291 mesylate

>  <Target> (116)
EGFR

>  <Form> (116)
mesylate

>  <CAS> (116)
1421373-66-1

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

$$$$

csChFnd80/04082409412D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  8  9  2  0  0  0  0
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  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 12  1  0  0  0  0
 14 16  1  6  0  0  0
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 17 21  2  0  0  0  0
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M  END
>  <Mol_ID> (117)
5043

>  <Formula> (117)
C14H21N5O2S

>  <MolWeight> (117)
323.41384

>  <Cat> (117)
S8765

>  <Name> (117)
Abrocitinib (PF-04965842)

>  <Synonyms> (117)
N/A

>  <Target> (117)
JAK

>  <Form> (117)
free base

>  <CAS> (117)
1622902-68-4

>  <URL> (117)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/04082409412D

 10  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (118)
5052

>  <Formula> (118)
C4H11N3O3

>  <MolWeight> (118)
149.14844

>  <Cat> (118)
S6023

>  <Name> (118)
Creatine monohydrate

>  <Synonyms> (118)
Methylguanidoacetic acid monohydrate

>  <Target> (118)
Others

>  <Form> (118)
monohydrate

>  <CAS> (118)
6020-87-7

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

$$$$

csChFnd80/04082409412D

 28 32  0  0  0  0  0  0  0  0999 V2000
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   10.2200    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820    4.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 14 13  1  6  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
 23 26  1  0  0  0  0
 11 27  1  0  0  0  0
 27 28  1  0  0  0  0
  9 28  1  0  0  0  0
M  END
>  <Mol_ID> (119)
5100

>  <Formula> (119)
C18H21F2N7O

>  <MolWeight> (119)
389.4024464

>  <Cat> (119)
S8804

>  <Name> (119)
Brepocitinib (PF-06700841)

>  <Synonyms> (119)
PF-841

>  <Target> (119)
JAK

>  <Form> (119)
Free Base

>  <CAS> (119)
1883299-62-4

>  <URL> (119)
http://www.selleck.cn/products/pf-06700841.html

$$$$

csChFnd80/04082409412D

 39 43  0  0  0  0  0  0  0  0999 V2000
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   12.1725    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  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 11  1  0  0  0  0
 12 18  1  0  0  0  0
  9 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23  9  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 21 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 18 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 18  1  0  0  0  0
M  END
>  <Mol_ID> (120)
5101

>  <Formula> (120)
C30H35N7O2

>  <MolWeight> (120)
525.6446

>  <Cat> (120)
S8817

>  <Name> (120)
Almonertinib (HS-10296)

>  <Synonyms> (120)
Aumolertinib, Ameile

>  <Target> (120)
EGFR

>  <Form> (120)
Free Base

>  <CAS> (120)
1899921-05-1

>  <URL> (120)
http://www.selleck.cn/products/hs-10296.html

$$$$

csChFnd80/04082409412D

 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
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    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    4.8976    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   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
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M  END
>  <Mol_ID> (121)
5118

>  <Formula> (121)
C13H8Cl2N2O4

>  <MolWeight> (121)
327.11962

>  <Cat> (121)
S3030

>  <Name> (121)
Niclosamide (BAY2353)

>  <Synonyms> (121)
Niclocide, NSC 178296

>  <Target> (121)
Autophagy,STAT

>  <Form> (121)
Free Base

>  <CAS> (121)
50-65-7

>  <URL> (121)
http://www.selleck.cn/products/niclosamide-niclocide.html

$$$$

csChFnd80/04082409412D

 40 44  0  0  0  0  0  0  0  0999 V2000
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    9.6995    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.1124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    1.2124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
  7 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  7  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
 24 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
M  END
>  <Mol_ID> (122)
5220

>  <Formula> (122)
C29H39ClN7O2P

>  <MolWeight> (122)
584.092421

>  <Cat> (122)
S8229

>  <Name> (122)
Brigatinib (AP26113)

>  <Synonyms> (122)
N/A

>  <Target> (122)
ALK,EGFR,FLT3,IGF-1R,ROS1

>  <Form> (122)
Free Base

>  <CAS> (122)
1197953-54-0

>  <URL> (122)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

csChFnd80/04082409412D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.3000    0.0000 N   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
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    9.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035   10.4694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (123)
5221

>  <Formula> (123)
C19H18N4O3

>  <MolWeight> (123)
350.37122

>  <Cat> (123)
S8684

>  <Name> (123)
Selective JAK3 inhibitor 1

>  <Synonyms> (123)
N/A

>  <Target> (123)
JAK

>  <Form> (123)
Free Base

>  <CAS> (123)
1443235-95-7

>  <URL> (123)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/04082409412D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    6.6338    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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N/A

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Pim

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free base

>  <CAS> (125)
587852-28-6

>  <URL> (125)
http://www.selleck.cn/products/smi-16a.html

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csChFnd80/04082409412D

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N/A

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c-RET,VEGFR

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free base

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211555-08-7

>  <URL> (126)
http://www.selleck.cn/products/whi-p180.html

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csChFnd80/04082409412D

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>  <Mol_ID> (127)
6503

>  <Formula> (127)
C16H15N3O2

>  <MolWeight> (127)
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>  <Cat> (127)
S6521

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WHI-P258

>  <Synonyms> (127)
N/A

>  <Target> (127)
JAK

>  <Form> (127)
free base

>  <CAS> (127)
21561-09-1

>  <URL> (127)
http://www.selleck.cn/products/whi-p258.html

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>  <Synonyms> (128)
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>  <CAS> (128)
195371-52-9

>  <URL> (128)
http://www.selleck.cn/products/nsc-42834.html

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EGFR,PI3K

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free base

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1952236-05-3

>  <URL> (129)
http://www.selleck.cn/products/mtx-211.html

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N/A

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VEGFR

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free base

>  <CAS> (130)
413599-62-9

>  <URL> (130)
http://www.selleck.cn/products/zd-4190.html

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S6530

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EBE-A22

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N/A

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EGFR

>  <Form> (131)
Free Base

>  <CAS> (131)
229476-53-3

>  <URL> (131)
http://www.selleck.cn/products/ebe-a22.html

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C16H14BrN3O2

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PD153035

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N/A

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EGFR

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Free Base

>  <CAS> (132)
153436-54-5

>  <URL> (132)
http://www.selleck.cn/products/pd153035.html

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zipalertinib

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EGFR

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1661854-97-2

>  <URL> (133)
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 31 32  1  0  0  0  0
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2241300-51-4

>  <URL> (135)
http://www.selleckchem.com/products/as2863619.html

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csChFnd80/04082409412D

 30 33  0  0  0  0  0  0  0  0999 V2000
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6810

>  <Formula> (136)
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N/A

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Pim

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1361951-15-6

>  <URL> (136)
http://www.selleckchem.com/products/tp-3654.html

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csChFnd80/04082409412D

 22 24  0  0  0  0  0  0  0  0999 V2000
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6819

>  <Formula> (137)
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>  <MolWeight> (137)
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S6784

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N/A

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STAT

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285986-31-4

>  <URL> (137)
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186611-04-1

>  <URL> (138)
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 43 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (139)
6835

>  <Formula> (139)
C32H39N7O4

>  <MolWeight> (139)
585.69656

>  <Cat> (139)
S6813

>  <Name> (139)
Mobocertinib (TAK788)

>  <Synonyms> (139)
AP32788

>  <Target> (139)
EGFR,HER2

>  <Form> (139)
Free Base

>  <CAS> (139)
1847461-43-1

>  <URL> (139)
http://www.selleckchem.com/products/tak788.html

$$$$

csChFnd80/04082409412D

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>  <Mol_ID> (140)
6873

>  <Formula> (140)
C21H18F3N5O

>  <MolWeight> (140)
413.3957296

>  <Cat> (140)
S0360

>  <Name> (140)
EGFR Inhibitor

>  <Synonyms> (140)
EGFR-IN-12

>  <Target> (140)
EGFR,Microtubule Associated

>  <Form> (140)
Free Base

>  <CAS> (140)
879127-07-8

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

$$$$

csChFnd80/04082409412D

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M  END
>  <Mol_ID> (141)
6874

>  <Formula> (141)
C26H34N6O3S

>  <MolWeight> (141)
510.65156

>  <Cat> (141)
S0391

>  <Name> (141)
TG-89

>  <Synonyms> (141)
N/A

>  <Target> (141)
JAK

>  <Form> (141)
Free Base

>  <CAS> (141)
936091-56-4

>  <URL> (141)
http://www.selleckchem.com/products/tg-89.html

$$$$

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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
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (142)
6997

>  <Formula> (142)
C28H29NO6

>  <MolWeight> (142)
475.53296

>  <Cat> (142)
S0818

>  <Name> (142)
STAT3-IN-1

>  <Synonyms> (142)
N/A

>  <Target> (142)
STAT

>  <Form> (142)
free base

>  <CAS> (142)
2059952-75-7

>  <URL> (142)
http://www.selleckchem.com/products/stat3-in-1.html

$$$$

csChFnd80/04082409412D

 40 43  0  0  0  0  0  0  0  0999 V2000
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    6.0580    2.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.1523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    5.9849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    7.3849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8101    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0183    7.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    9.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2266    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    7.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5380    6.3162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3316    6.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6430    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    6.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    8.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9287    6.4160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    8.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    4.8523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  1 30  1  1  0  0  0
 10 31  1  1  0  0  0
  9 32  1  1  0  0  0
 12 33  1  1  0  0  0
 21 34  1  1  0  0  0
  2 35  1  6  0  0  0
  5 36  1  6  0  0  0
 11 37  1  6  0  0  0
 17 38  1  6  0  0  0
 21 39  1  6  0  0  0
 16 40  1  6  0  0  0
M  END
>  <Mol_ID> (143)
7003

>  <Formula> (143)
C30H48O7

>  <MolWeight> (143)
520.69792

>  <Cat> (143)
S0949

>  <Name> (143)
Cucurbitacin IIb

>  <Synonyms> (143)
CuIIb, Dihydrocucurbitacin F, 25-deacetyl hemslecin A

>  <Target> (143)
Apoptosis related,ERK,I¦ÊB/IKK,JNK,NF-¦ÊB,STAT,TNF-alpha

>  <Form> (143)
free base

>  <CAS> (143)
50298-90-3

>  <URL> (143)
http://www.selleckchem.com/products/curcubitacin-iib.html

$$$$

csChFnd80/04082409412D

 42 46  0  0  0  0  0  0  0  0999 V2000
    2.4207    8.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    6.9903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    9.0903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 O   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
    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
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   11.1879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911   11.1879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6911   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786   13.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8993   13.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   14.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580   13.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  1  0  0  0
  1  8  1  1  0  0  0
  3  9  1  1  0  0  0
  6 10  1  6  0  0  0
  2 11  1  6  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
  7 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  1  0  0  0
 33 32  1  1  0  0  0
 35 40  1  6  0  0  0
 37 41  1  6  0  0  0
 38 42  1  6  0  0  0
M  END
>  <Mol_ID> (144)
7054

>  <Formula> (144)
C27H30O15

>  <MolWeight> (144)
594.5181

>  <Cat> (144)
S3267

>  <Name> (144)
Kaempferol-3-O-rutinoside

>  <Synonyms> (144)
Nicotiflorin, Nikotoflorin, Kaempferol 3-O-¦Â-rutinoside

>  <Target> (144)
Apoptosis related,Bcl-2,Caspase,JAK,STAT

>  <Form> (144)
free base

>  <CAS> (144)
17650-84-9

>  <URL> (144)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/04082409412D

 19 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3119    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5223    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7328    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9432    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1536    4.8757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3660    4.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5785    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1552    6.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 11 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  1  6  0  0  0
M  END
>  <Mol_ID> (145)
7074

>  <Formula> (145)
C17H24O2

>  <MolWeight> (145)
260.37126

>  <Cat> (145)
S3292

>  <Name> (145)
Falcarindiol

>  <Synonyms> (145)
FAD, (3R,8S)-Falcarindiol, FaDOH

>  <Target> (145)
ERK,Interleukins,JNK,NOS,STAT,TNF-alpha

>  <Form> (145)
free base

>  <CAS> (145)
225110-25-8

>  <URL> (145)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/04082409412D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
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 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (146)
7078

>  <Formula> (146)
C16H12O6

>  <MolWeight> (146)
300.26288

>  <Cat> (146)
S3296

>  <Name> (146)
Hispidulin

>  <Synonyms> (146)
Dinatin

>  <Target> (146)
Akt,AMPK,Apoptosis related,Mitochondrial Metabolism,PI3K,Pim

>  <Form> (146)
free base

>  <CAS> (146)
1447-88-7

>  <URL> (146)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/04082409412D

 46 48  0  0  0  0  0  0  0  0999 V2000
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    9.7103    9.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6282    2.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3278    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  2  0  0  0  0
  1 46  1  0  0  0  0
  2 43  1  0  0  0  0
  3 43  1  0  0  0  0
  4 43  1  0  0  0  0
  5 33  1  0  0  0  0
  5 41  1  0  0  0  0
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 25 39  1  0  0  0  0
 26 32  2  0  0  0  0
 27 34  1  0  0  0  0
 28 35  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  2  0  0  0  0
 34 35  2  0  0  0  0
 39 40  2  0  0  0  0
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 42 44  1  0  0  0  0
 44 45  2  0  0  0  0
M  END
>  <Mol_ID> (147)
7113

>  <Formula> (147)
C29H35F3N8O5S

>  <MolWeight> (147)
664.6990096

>  <Cat> (147)
S6868

>  <Name> (147)
Alflutinib (AST2818) mesylate

>  <Synonyms> (147)
Furmonertinib mesylate

>  <Target> (147)
EGFR,P450 (e.g. CYP17)

>  <Form> (147)
mesylate

>  <CAS> (147)
2130958-55-1

>  <URL> (147)
https://www.selleckchem.com/products/alflutinib-ast2818-mesylate.html

$$$$

csChFnd80/04082409412D

 58 63  0  0  0  0  0  0  0  0999 V2000
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    9.6952    6.2953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9070    5.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1190    6.2953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1190    7.6972    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9070    8.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3374    5.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.6972    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3374    8.3981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7611    8.3981    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7611    9.7934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.3374    9.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (148)
7233

>  <Formula> (148)
C42H70O12

>  <MolWeight> (148)
766.998

>  <Cat> (148)
S9210

>  <Name> (148)
Ginsenoside Rk1

>  <Synonyms> (148)
N/A

>  <Target> (148)
Others

>  <Form> (148)
Free Base

>  <CAS> (148)
494753-69-4

>  <URL> (148)
https://www.selleckchem.com/products/ginsenoside-rk1.html

$$$$

csChFnd80/04082409412D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (149)
7283

>  <Formula> (149)
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189290-58-2

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186611-11-0

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csChFnd80/04082409412D

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1258296-60-4

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https://www.selleckchem.com/products/ro495.html

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2140807-05-0

>  <URL> (153)
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$$$$

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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
    9.6784   12.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    9.0830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    9.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2040    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5198   12.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280   13.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1529   13.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529   14.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404   15.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280   14.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  2  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 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 31  1  0  0  0  0
 31 26  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
M  END
>  <Mol_ID> (154)
7579

>  <Formula> (154)
C29H29ClN6O4

>  <MolWeight> (154)
561.03136

>  <Cat> (154)
S9786

>  <Name> (154)
BDTX-189

>  <Synonyms> (154)
N/A

>  <Target> (154)
EGFR,HER2,RIP kinase

>  <Form> (154)
Free Base

>  <CAS> (154)
2414572-47-5

>  <URL> (154)
http://www.selleckchem.com/products/bdtx-189.html

$$$$

csChFnd80/04082409412D

 36 37  0  0  0  0  0  0  0  0999 V2000
   12.1308    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    9.8784    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    9.8784    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5515    1.3976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    8.4339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    7.7315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   12.6195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    5.6388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7262    8.4850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7182    4.1928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9947    6.3072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332   11.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9947    7.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    3.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    6.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9183    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1308    4.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1308    1.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3433    3.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    5.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3432    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    6.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  4 35  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 29  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 21  1  0  0  0  0
  9 29  1  0  0  0  0
 10 24  1  0  0  0  0
 10 27  2  0  0  0  0
 11 26  1  0  0  0  0
 11 28  1  0  0  0  0
 12 26  2  0  0  0  0
 12 27  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 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
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  2  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 34  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 35  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
M  END
>  <Mol_ID> (155)
7585

>  <Formula> (155)
C24H27Cl3FN5O3

>  <MolWeight> (155)
558.8602832

>  <Cat> (155)
S0711

>  <Name> (155)
Canertinib dihydrochloride

>  <Synonyms> (155)
CI-1033 dihydrochloride, PD-183805 dihydrochloride

>  <Target> (155)
EGFR

>  <Form> (155)
Dihydrochloride

>  <CAS> (155)
289499-45-2

>  <URL> (155)
http://www.selleckchem.com/products/canertinib-dihydrochloride.html

$$$$

csChFnd80/04082409412D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2126    4.1957    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6336    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8927    4.1934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336    4.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6842    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4758    4.1982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8421    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1011    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8011    0.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5011    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8927    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4758    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    2.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0505    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 11  2  0  0  0  0
  4 17  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 12  2  0  0  0  0
  6 16  1  0  0  0  0
  7 14  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (156)
7686

>  <Formula> (156)
C16H13Cl2N3O2

>  <MolWeight> (156)
350.19932

>  <Cat> (156)
S0374

>  <Name> (156)
GDC046

>  <Synonyms> (156)
N/A

>  <Target> (156)
JAK

>  <Form> (156)
Free Base

>  <CAS> (156)
1258292-64-6

>  <URL> (156)
http://www.selleckchem.com/products/gdc046.html

$$$$

csChFnd80/04082409412D

 26 27  0  0  0  0  0  0  0  0999 V2000
   12.1435    6.2852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2028    0.0078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2036    4.1751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9857    6.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    4.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3540    4.1868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2776    2.0977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0656    2.7975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5622    4.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9299    4.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7793    4.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1435    4.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9233    2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9857    4.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  2  0  0  0  0
  2 22  1  0  0  0  0
  3 24  1  0  0  0  0
  4 24  2  0  0  0  0
  5 26  1  0  0  0  0
  6 26  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 24  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 26  1  0  0  0  0
 22 25  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (157)
7779

>  <Formula> (157)
C17H15N3O6

>  <MolWeight> (157)
357.3175

>  <Cat> (157)
S4842

>  <Name> (157)
Balsalazide

>  <Synonyms> (157)
Colazal, Giazo

>  <Target> (157)
Immunology & Inflammation related,Interleukins,STAT

>  <Form> (157)
Free Base

>  <CAS> (157)
80573-04-2

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

$$$$

csChFnd80/04082409412D

 19 22  0  0  0  0  0  0  0  0999 V2000
    3.7497    2.5266    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3490    3.8575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7839    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9668    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1087    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1087    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3211    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3211    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5336    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5336    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7839    2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 13  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (158)
7790

>  <Formula> (158)
C14H13N3OS

>  <MolWeight> (158)
271.33752

>  <Cat> (158)
S0981

>  <Name> (158)
BD750

>  <Synonyms> (158)
N/A

>  <Target> (158)
JAK,STAT

>  <Form> (158)
Free Base

>  <CAS> (158)
892686-59-8

>  <URL> (158)
http://www.selleckchem.com/products/bd750.html

$$$$

csChFnd80/04082409412D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.4186    5.3989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2720    3.9869    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1282    3.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1282    1.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2107    0.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6033    1.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0370    2.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4165    2.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7131    3.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4891    4.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8066    1.2566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8264    3.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5597    3.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5419    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3916    4.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    4.6869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 11  1  0  0  0  0
 13 14  2  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
 12  4  1  0  0  0  0
  2 15  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
  6 17  1  0  0  0  0
 13 18  1  0  0  0  0
  2 19  1  1  0  0  0
M  END
>  <Mol_ID> (159)
7837

>  <Formula> (159)
C15H16O3

>  <MolWeight> (159)
244.28574

>  <Cat> (159)
E0011

>  <Name> (159)
Linderalactone

>  <Synonyms> (159)
N/A

>  <Target> (159)
Bcl-2,JAK,STAT

>  <Form> (159)
Free Base

>  <CAS> (159)
728-61-0

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

$$$$

csChFnd80/04082409412D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.4200    7.4873    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7221    6.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179    8.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7449    6.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7489    2.6098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280    6.7899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573    5.3947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3262    2.6043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9038    2.6029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1104    4.7038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9530    4.7096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7489    1.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0510    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4517    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6308    5.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8412    7.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5394    3.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103    8.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5354    4.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2684    3.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4788    5.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6950    3.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1133    3.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4824    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6927    4.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3225    5.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7449    5.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1 21  1  0  0  0  0
  4 31  2  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 20  1  0  0  0  0
  8 19  2  0  0  0  0
  8 27  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 27  2  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 30  2  0  0  0  0
 22 31  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (160)
7890

>  <Formula> (160)
C20H27N7O3S

>  <MolWeight> (160)
445.53848

>  <Cat> (160)
S3566

>  <Name> (160)
Cerdulatinib (PRT062070)

>  <Synonyms> (160)
PRT2070

>  <Target> (160)
JAK,Syk

>  <Form> (160)
Free Base

>  <CAS> (160)
1198300-79-6

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

$$$$
1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
csChFnd80/04082409412D

 16 18  0  0  0  0  0  0  0  0999 V2000
    9.5988    2.4581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    3.7827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5252    2.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5252    5.0287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898    3.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2050    1.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898    4.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1343    1.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3494    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8141    0.4760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    3.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    2.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (161)
9808

>  <Formula> (161)
C11H9N5

>  <MolWeight> (161)
211.22266

>  <Cat> (161)
E2980

>  <Name> (161)
4-AMino-1-phenylpyrazolo[3,4-d]pyriMidine

>  <Synonyms> (161)
PP 3

>  <Target> (161)
EGFR

>  <Form> (161)
Free base

>  <CAS> (161)
5334-30-5

>  <URL> (161)
https://www.selleckchem.com/products/4-amino-1-phenylpyrazolo-3-4-d-pyrimidine.html

$$$$
N-[(1R,2R)-2-Methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo[1(2H),2â²-bipyridin]..
csChFnd80/04082409412D

 34 38  0  0  1  0  0  0  0  0999 V2000
   13.9437    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4499    6.8807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9131    7.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    0.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    5.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7627    8.5686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9070    9.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    6.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4677    5.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    5.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4677    2.6041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3729    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3357    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3357    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9258    8.3453    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.2980    9.0444    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.2266    9.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5988   10.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  6 17  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  9 24  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19  2  1  6  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20  7  1  1  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (162)
9889

>  <Formula> (162)
C23H24N8O3

>  <MolWeight> (162)
460.48846

>  <Cat> (162)
E1526

>  <Name> (162)
Zasocitinib

>  <Synonyms> (162)
NDI-034858; TAK-279

>  <Target> (162)
JAK

>  <Form> (162)
Free base

>  <CAS> (162)
2272904-53-5

>  <URL> (162)
https://www.selleckchem.com/products/zasocitinib.html

$$$$
(2E)-N-[4-[(3-Chloro-2-fluorophenyl)amino]-7-[2-[(1R,5S)-3-methyl-3-azabicycl...
csChFnd80/04082409412D

 41 46  0  0  0  0  0  0  0  0999 V2000
   13.3370    8.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2865    9.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (163)
9903

>  <Formula> (163)
C30H30ClFN6O2

>  <MolWeight> (163)
561.0496032

>  <Cat> (163)
E1478

>  <Name> (163)
BDTX-1535

>  <Synonyms> (163)
EGFR-IN-76

>  <Target> (163)
EGFR

>  <Form> (163)
Free base

>  <CAS> (163)
2607829-38-7

>  <URL> (163)
https://www.selleckchem.com/products/bdtx-1535.html

$$$$
