Lapatinib Ditosylate.cdx
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Lapatinib (GW-572016) Ditosylate

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EGFR, HER2

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Ditosylat

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388082-77-7

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http://www.selleckchem.com/products/Lapatinib-Ditosylate.html

$$$$
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csChFnd80/04212016432D

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STAT

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Free Base

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501919-59-1

>  <URL> (2)
http://www.selleckchem.com/products/S31-201.html

$$$$
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EGFR, HER2

>  <Form> (3)
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$$$$
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120

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CUDC-101

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N/A

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HDAC, EGFR, HER2

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Free Base

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1012054-59-9

>  <URL> (4)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
AEE-788.cdx
csChFnd80/04212016432D

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304

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C27H32N6

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S1486

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AEE788 (NVP-AEE788)

>  <Synonyms> (5)
N/A 

>  <Target> (5)
EGFR, Flt, VEGFR, HER2

>  <Form> (5)
Free Base

>  <CAS> (5)
497839-62-0

>  <URL> (5)
http://www.selleckchem.com/products/AEE788.html

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/04212016432D

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>  <Mol_ID> (6)
312

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C10H14N4O4

>  <MolWeight> (6)
254.24256

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S1504

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Dyphylline (Dilor)

>  <Synonyms> (6)
Neothylline, Lufyllin, diprophylline

>  <Target> (6)
PDE

>  <Form> (6)
Free Base

>  <CAS> (6)
479-18-5

>  <URL> (6)
http://www.selleckchem.com/products/Dyphylline(Dilor).html

$$$$
DMXAA.cdx
csChFnd80/04212016432D

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332

>  <Formula> (7)
C17H14O4

>  <MolWeight> (7)
282.29066

>  <Cat> (7)
S1537

>  <Name> (7)
DMXAA (Vadimezan)

>  <Synonyms> (7)
AS-1404, 5,6-MeXAA, NSC-640488, Vadimezan 

>  <Target> (7)
VDA

>  <Form> (7)
Free Base

>  <CAS> (7)
117570-53-3

>  <URL> (7)
http://www.selleckchem.com/products/DMXAA(ASA404).html

$$$$
Artesunate.cdx
csChFnd80/04212016432D

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STAT

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88495-63-0

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

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untitled.cdx
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497

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Maraviroc

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UK-427857, Celsentri 

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CCR5 

>  <Form> (9)
Free Base

>  <CAS> (9)
376348-65-1

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

$$$$
Arry-380.cdx
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544

>  <Formula> (10)
C29H27N7O4S

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569.63418

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S2752

>  <Name> (10)
HER2 Inhibitor 1

>  <Synonyms> (10)
N/A

>  <Target> (10)
HER2, EGFR

>  <Form> (10)
Free Base

>  <CAS> (10)
937265-83-3

>  <URL> (10)
http://www.selleckchem.com/products/arry-380.html

$$$$
Lapatinib freebase.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (11)
553

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Lapatinib

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N/A

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EGFR, HER2

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Free Base

>  <CAS> (11)
231277-92-2

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

$$$$
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csChFnd80/04212016432D

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M  END
>  <Mol_ID> (12)
587

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C26H25ClF3N5O3

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547.9566096

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TAK-285

>  <Synonyms> (12)
N/A

>  <Target> (12)
EGFR, HER2

>  <Form> (12)
Free Base

>  <CAS> (12)
871026-44-7

>  <URL> (12)
http://www.selleckchem.com/products/tak-285.html

$$$$
Istradefylline (KW-6002).cdx
csChFnd80/04212016432D

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M  END
>  <Mol_ID> (13)
591

>  <Formula> (13)
C20H24N4O4

>  <MolWeight> (13)
384.42896

>  <Cat> (13)
S2790

>  <Name> (13)
Istradefylline (KW-6002)

>  <Synonyms> (13)
N/A

>  <Target> (13)
Adenosine Receptor

>  <Form> (13)
Free Base

>  <CAS> (13)
155270-99-8

>  <URL> (13)
http://www.selleckchem.com/products/istradefylline-kw-6002.html

$$$$
WP1066.cdx
csChFnd80/04212016432D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (14)
593

>  <Formula> (14)
C17H14BrN3O

>  <MolWeight> (14)
356.21656

>  <Cat> (14)
S2796

>  <Name> (14)
WP1066

>  <Synonyms> (14)
N/A

>  <Target> (14)
JAK 

>  <Form> (14)
Free Base

>  <CAS> (14)
857064-38-1

>  <URL> (14)
http://www.selleckchem.com/products/wp1066.html

$$$$
Bindarit.cdx
csChFnd80/04212016432D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (15)
607

>  <Formula> (15)
C19H20N2O3

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324.3737

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>  <Name> (15)
Bindarit

>  <Synonyms> (15)
N/A 

>  <Target> (15)
Others

>  <Form> (15)
Free Base

>  <CAS> (15)
130641-38-2

>  <URL> (15)
http://www.selleckchem.com/products/bindarit.html

$$$$
AG-879.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (16)
616

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C18H24N2OS

>  <MolWeight> (16)
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S2816

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Tyrphostin AG 879 (AG 879)

>  <Synonyms> (16)
N/A 

>  <Target> (16)
HER2

>  <Form> (16)
Free Base

>  <CAS> (16)
148741-30-4

>  <URL> (16)
http://www.selleckchem.com/products/tyrphostin-ag-879-ag-879.html

$$$$
Palmatine hydrochloride.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (17)
630

>  <Formula> (17)
C21H22ClNO4

>  <MolWeight> (17)
387.85668

>  <Cat> (17)
S2397

>  <Name> (17)
Palmatine chloride

>  <Synonyms> (17)
Palmatine hydrochloride

>  <Target> (17)
Others

>  <Form> (17)
Chloride

>  <CAS> (17)
10605-02-4

>  <URL> (17)
http://www.selleckchem.com/products/Palmatine-chloride.html

$$$$
AZD8931.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (18)
672

>  <Formula> (18)
C23H25ClFN5O3

>  <MolWeight> (18)
473.9277032

>  <Cat> (18)
S2192

>  <Name> (18)
AZD8931

>  <Synonyms> (18)
N/A

>  <Target> (18)
EGFR, HER2

>  <Form> (18)
Free Base

>  <CAS> (18)
848942-61-0

>  <URL> (18)
http://www.selleckchem.com/products/AZD8931.html

$$$$
Mubritinib.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (19)
685

>  <Formula> (19)
C25H23F3N4O2

>  <MolWeight> (19)
468.4709296

>  <Cat> (19)
S2216

>  <Name> (19)
Mubritinib (TAK 165)

>  <Synonyms> (19)
TAK 165, TAK165

>  <Target> (19)
HER2

>  <Form> (19)
Free Base

>  <CAS> (19)
366017-09-6

>  <URL> (19)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (20)
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C22H18O11

>  <MolWeight> (20)
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>  <Cat> (20)
S2250

>  <Name> (20)
(-)-Epigallocatechin gallate

>  <Synonyms> (20)
EGCG

>  <Target> (20)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (20)
Free Base

>  <CAS> (20)
989-51-5

>  <URL> (20)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Cryptotanshinone.cdx
csChFnd80/04212016432D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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M  END
>  <Mol_ID> (21)
714

>  <Formula> (21)
C19H20O3

>  <MolWeight> (21)
296.3603

>  <Cat> (21)
S2285

>  <Name> (21)
Cryptotanshinone

>  <Synonyms> (21)
N/A

>  <Target> (21)
STAT

>  <Form> (21)
Free Base

>  <CAS> (21)
35825-57-1

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

$$$$
Nobiletin.cdx
csChFnd80/04212016432D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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 11 13  1  0  0  0  0
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M  END
>  <Mol_ID> (22)
750

>  <Formula> (22)
C21H22O8

>  <MolWeight> (22)
402.39458

>  <Cat> (22)
S2333

>  <Name> (22)
Nobiletin (Hexamethoxyflavone)

>  <Synonyms> (22)
N/A 

>  <Target> (22)
MMP

>  <Form> (22)
Free Base

>  <CAS> (22)
478-01-3

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

$$$$
WHI-P154.cdx
csChFnd80/04212016432D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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>  <Mol_ID> (23)
1091

>  <Formula> (23)
C16H14BrN3O3

>  <MolWeight> (23)
376.20466

>  <Cat> (23)
S2867

>  <Name> (23)
WHI-P154

>  <Synonyms> (23)
N/A

>  <Target> (23)
JAK, EGFR

>  <Form> (23)
Free Base

>  <CAS> (23)
211555-04-3

>  <URL> (23)
http://www.selleckchem.com/products/whi-p154.html

$$$$
Pirfenidone.cdx
csChFnd80/04212016432D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (24)
1127

>  <Formula> (24)
C12H11NO

>  <MolWeight> (24)
185.22184

>  <Cat> (24)
S2907

>  <Name> (24)
Pirfenidone

>  <Synonyms> (24)
N/A

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

>  <Form> (24)
Free Base

>  <CAS> (24)
53179-13-8

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

$$$$
PF477736.cdx
csChFnd80/04212016432D

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M  END
>  <Mol_ID> (25)
1154

>  <Formula> (25)
C22H25N7O2

>  <MolWeight> (25)
419.4796

>  <Cat> (25)
S2904

>  <Name> (25)
PF 477736

>  <Synonyms> (25)
PF-00477736

>  <Target> (25)
Chk

>  <Form> (25)
Free Base

>  <CAS> (25)
952021-60-2

>  <URL> (25)
http://www.selleckchem.com/products/pf-477736.html

$$$$
WZ 811.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (26)
1162

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CXCR

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55778-02-4

>  <URL> (26)
http://www.selleckchem.com/products/wz-811.html

$$$$
MICROSUL (sulfamethizole).cdx
csChFnd80/04212016432D

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>  <Mol_ID> (27)
1185

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C9H10N4O2S2

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270.3313

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S1957

>  <Name> (27)
Sulfamethizole (Proklar)

>  <Synonyms> (27)
Proklar

>  <Target> (27)
Antifection

>  <Form> (27)
Free Base

>  <CAS> (27)
144-82-1

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

$$$$
CGS-21680 hydrochloride.cdx
csChFnd80/04212016432D

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M  END
>  <Mol_ID> (28)
1248

>  <Formula> (28)
C23H30ClN7O6

>  <MolWeight> (28)
535.9806

>  <Cat> (28)
S2153

>  <Name> (28)
CGS 21680 HCl

>  <Synonyms> (28)
N/A

>  <Target> (28)
5-alpha Reductase

>  <Form> (28)
Hydrochloride

>  <CAS> (28)
124431-80-7

>  <URL> (28)
http://www.selleckchem.com/products/CGS-21680-hydrochloride.html

$$$$
Doxofylline.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (29)
1364

>  <Formula> (29)
C11H14N4O4

>  <MolWeight> (29)
266.25326

>  <Cat> (29)
S4164

>  <Name> (29)
Doxofylline

>  <Synonyms> (29)
N/A

>  <Target> (29)
PDE

>  <Form> (29)
Free Base

>  <CAS> (29)
69975-86-6

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

$$$$
nifuroxazide.cdx
csChFnd80/04212016432D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (30)
1369

>  <Formula> (30)
C12H9N3O5

>  <MolWeight> (30)
275.21696

>  <Cat> (30)
S4182

>  <Name> (30)
Nifuroxazide

>  <Synonyms> (30)
N/A

>  <Target> (30)
STAT

>  <Form> (30)
Free Base

>  <CAS> (30)
965-52-6

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

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/04212016432D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (31)
1452

>  <Formula> (31)
C11H12N4O3S

>  <MolWeight> (31)
280.30298

>  <Cat> (31)
S4250

>  <Name> (31)
Sulfamethoxypyridazine

>  <Synonyms> (31)
N/A

>  <Target> (31)
Antifection

>  <Form> (31)
Free Base

>  <CAS> (31)
80-35-3

>  <URL> (31)
http://www.selleckchem.com/products/sulfamethoxypyridazine.html

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/04212016432D

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>  <Mol_ID> (32)
1528

>  <Formula> (32)
C24H25ClFN5O3

>  <MolWeight> (32)
485.9384032

>  <Cat> (32)
S1011

>  <Name> (32)
Afatinib (BIBW2992)

>  <Synonyms> (32)
N/A

>  <Target> (32)
EGFR

>  <Form> (32)
Free Base

>  <CAS> (32)
439081-18-2

>  <URL> (32)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
BMS-599626 (AC480).cdx
csChFnd80/04212016432D

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>  <Mol_ID> (33)
1560

>  <Formula> (33)
C27H27FN8O3

>  <MolWeight> (33)
530.5534832

>  <Cat> (33)
S1056

>  <Name> (33)
AC480 (BMS-599626)

>  <Synonyms> (33)
N/A

>  <Target> (33)
HER2

>  <Form> (33)
Free Base

>  <CAS> (33)
714971-09-2

>  <URL> (33)
http://www.selleckchem.com/products/BMS-599626.html

$$$$
S4719 Kynurenic acid.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (34)
1704

>  <Formula> (34)
C10H7NO3

>  <MolWeight> (34)
189.16748

>  <Cat> (34)
S4719

>  <Name> (34)
Kynurenic acid

>  <Synonyms> (34)
Quinurenic acid|Kynurenate

>  <Target> (34)
Others

>  <Form> (34)
Free Base

>  <CAS> (34)
492-27-3

>  <URL> (34)
http://www.selleckchem.com/products/kynurenic-acid.html

$$$$
S3840 Baohuoside I.cdx
csChFnd80/04212016432D

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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 20 21  2  0  0  0  0
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 25 20  1  0  0  0  0
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 30 36  1  1  0  0  0
 31 37  1  6  0  0  0
M  END
>  <Mol_ID> (35)
1910

>  <Formula> (35)
C27H30O10

>  <MolWeight> (35)
514.5211

>  <Cat> (35)
S3840

>  <Name> (35)
Baohuoside I

>  <Synonyms> (35)
Icariside II

>  <Target> (35)
ROS

>  <CAS> (35)
113558-15-9

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

$$$$
Plerixafor 8HCl.cdx
csChFnd80/04212016432D

 44 38  0  0  0  0  0  0  0  0999 V2000
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    4.8713    5.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4786    2.2114    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0786    2.2114    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.3786    0.8114    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.1786    0.8114    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  9 22  1  0  0  0  0
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 25 26  1  0  0  0  0
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 31 32  1  0  0  0  0
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 23 36  1  0  0  0  0
  8 23  1  0  0  0  0
M  END
>  <Mol_ID> (36)
2007

>  <Formula> (36)
C28H62Cl8N8

>  <MolWeight> (36)
794.46948

>  <Cat> (36)
S3013

>  <Name> (36)
Plerixafor 8HCl (DB06809)

>  <Synonyms> (36)
AMD3100 

>  <Target> (36)
CXCR

>  <Form> (36)
Octahydrochloride 

>  <CAS> (36)
155148-31-5

>  <URL> (36)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/04212016432D

 32 31  0  0  0  0  0  0  0  0999 V2000
    3.6275    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275    4.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    6.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    6.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8459    3.3982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    3.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    7.5865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    4.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    8.2873    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.3927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.9116    8.2866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3365    8.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0932    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.0932    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0932    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4932    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (37)
2043

>  <Formula> (37)
C18H32ClN3O8P2

>  <MolWeight> (37)
515.862502

>  <Cat> (37)
S4157

>  <Name> (37)
Chloroquine Phosphate

>  <Synonyms> (37)
N/A

>  <Target> (37)
Others

>  <Form> (37)
Diphosphate

>  <CAS> (37)
50-63-5

>  <URL> (37)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
S4785 Nicotinamide N-oxide.cdx
csChFnd80/04212016432D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4179    3.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2035    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
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  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (38)
2110

>  <Formula> (38)
C6H6N2O2

>  <MolWeight> (38)
138.12404

>  <Cat> (38)
S4785

>  <Name> (38)
Nicotinamide N-oxide

>  <Synonyms> (38)
Nicotinamide 1-oxide, 1-oxynicotinamide, 1-Oxy-nicotinamide

>  <Target> (38)
Others

>  <Form> (38)
free base

>  <CAS> (38)
1986-81-8

>  <URL> (38)
http://www.selleckchem.com/products/nicotinamide-n-oxide.html

$$$$
S3951 Tannic acid.cdx
csChFnd80/04212016432D

122132  0  0  0  0  0  0  0  0999 V2000
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   13.9904   10.9292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8929   12.1313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8984    9.7101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6846   12.1404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6942    9.7190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5871   13.3426    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4929   12.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4984    9.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9828   13.3472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0847   12.1448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0942    9.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8832   14.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7891   13.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (39)
2139

>  <Formula> (39)
C76H52O46

>  <MolWeight> (39)
1701.19848

>  <Cat> (39)
S3951

>  <Name> (39)
Tannic acid

>  <Synonyms> (39)
Gallotannic acid

>  <Target> (39)
CXCR4 

>  <Form> (39)
free base

>  <CAS> (39)
1401-55-4

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

$$$$
S4932 Proxyphylline.cdx
csChFnd80/04212016432D

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M  END
>  <Mol_ID> (40)
2198

>  <Formula> (40)
C10H14N4O3

>  <MolWeight> (40)
238.24316

>  <Cat> (40)
S4932

>  <Name> (40)
Proxyphylline

>  <Synonyms> (40)
Monophylline, Spasmolysin

>  <Target> (40)
Adenosine Receptor

>  <Form> (40)
free base

>  <CAS> (40)
603-00-9

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

$$$$
untitled.cdx
csChFnd80/04212016432D

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2293

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C24H25ClFN5O3

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S1019

>  <Name> (41)
CI-1033 (Canertinib)

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PD-183805 

>  <Target> (41)
EGFR, HER2

>  <Form> (41)
Free Base

>  <CAS> (41)
267243-28-7

>  <URL> (41)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$
Plerixafor.cdx
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>  <Mol_ID> (42)
2340

>  <Formula> (42)
C28H54N8

>  <MolWeight> (42)
502.78196

>  <Cat> (42)
S8030

>  <Name> (42)
Plerixafor

>  <Synonyms> (42)
N/A

>  <Target> (42)
CXCR

>  <Form> (42)
Free Base

>  <CAS> (42)
110078-46-1

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

$$$$
Necrostatin-1.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (43)
2346

>  <Formula> (43)
C13H13N3OS

>  <MolWeight> (43)
259.32682

>  <Cat> (43)
S8037

>  <Name> (43)
Necrostatin-1

>  <Synonyms> (43)
N/A

>  <Target> (43)
TNF-alpha

>  <Form> (43)
Free Base

>  <CAS> (43)
4311-88-0

>  <URL> (43)
http://www.selleckchem.com/products/necrostatin-1.html

$$$$
STATTIC.cdx
csChFnd80/04212016432D

 14 15  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (44)
2358

>  <Formula> (44)
C8H5NO4S

>  <MolWeight> (44)
211.1946

>  <Cat> (44)
S7024

>  <Name> (44)
Stattic

>  <Synonyms> (44)
N/A

>  <Target> (44)
STAT

>  <Form> (44)
Free Base

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

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

$$$$
Butein.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (45)
2364

>  <Formula> (45)
C15H12O5

>  <MolWeight> (45)
272.25278

>  <Cat> (45)
S8036

>  <Name> (45)
Butein

>  <Synonyms> (45)
N/A

>  <Target> (45)
EGFR

>  <Form> (45)
Free Base

>  <CAS> (45)
487-52-5

>  <URL> (45)
https://www.selleckchem.com/products/butein.html

$$$$
Imiquimod.cdx
csChFnd80/04212016432D

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2384

>  <Formula> (46)
C14H16N4

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S1211

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Imiquimod

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Aldara

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Immunology & Inflammation related

>  <Form> (46)
Free Base

>  <CAS> (46)
99011-02-6

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

$$$$
Neratinib.cdx
csChFnd80/04212016432D

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Neratinib (HKI-272)

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N/A 

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HER2, EGFR

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Free Base

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698387-09-6

>  <URL> (47)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

$$$$
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csChFnd80/04212016432D

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C14H15Cl2NS

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S1984

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Ticlopidine hydrochloride

>  <Synonyms> (48)
N/A

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P2 Receptor

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Hydrochloride

>  <CAS> (48)
53885-35-1

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

$$$$
NLG-919.cdx
csChFnd80/04212016432D

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2483

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C18H22N2O

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NLG919

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N/A

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IDO

>  <Form> (49)
Free Base

>  <CAS> (49)
1402836-58-1

>  <URL> (49)
http://www.selleckchem.com/products/nlg919.html

$$$$
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N/A

>  <Target> (50)
NF-¦ÊB

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1474034-05-3

>  <URL> (50)
http://www.selleckchem.com/products/omaveloxolone-rta-408.html

$$$$
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M  END
>  <Mol_ID> (51)
2519

>  <Formula> (51)
C11H13BrFN7O4S

>  <MolWeight> (51)
438.2328232

>  <Cat> (51)
S7910

>  <Name> (51)
Epacadostat (INCB024360)

>  <Synonyms> (51)
N/A

>  <Target> (51)
IDO

>  <Form> (51)
Free Base

>  <CAS> (51)
1204669-58-8

>  <URL> (51)
http://www.selleckchem.com/products/epacadostat-incb024360.html

$$$$
FLLL32.cdx
csChFnd80/04212016432D

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M  END
>  <Mol_ID> (52)
2527

>  <Formula> (52)
C28H32O6

>  <MolWeight> (52)
464.55008

>  <Cat> (52)
S7259

>  <Name> (52)
FLLL32

>  <Synonyms> (52)
N/A

>  <Target> (52)
JAK

>  <Form> (52)
Free Base

>  <CAS> (52)
1226895-15-3

>  <URL> (52)
http://www.selleckchem.com/products/flll32.html

$$$$
PD-L1 inhibitor 2.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (53)
2540

>  <Formula> (53)
C25H29N3O3

>  <MolWeight> (53)
419.51606

>  <Cat> (53)
S7912

>  <Name> (53)
BMS202 (PD-1/PD-L1 inhibitor 2)

>  <Synonyms> (53)
N/A

>  <Target> (53)
PD-1/PD-L1

>  <Form> (53)
Free Base

>  <CAS> (53)
1675203-84-5

>  <URL> (53)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-2.html

$$$$
SC144.cdx
csChFnd80/04212016432D

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M  END
>  <Mol_ID> (54)
2626

>  <Formula> (54)
C16H11FN6O

>  <MolWeight> (54)
322.2965432

>  <Cat> (54)
S7124

>  <Name> (54)
SC144

>  <Synonyms> (54)
N/A

>  <Target> (54)
P-gp

>  <Form> (54)
Free Base

>  <CAS> (54)
895158-95-9

>  <URL> (54)
http://www.selleckchem.com/products/sc144.html

$$$$
HO-3867.cdx
csChFnd80/04212016432D

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STAT

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Free Base

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1456632-40-8

>  <URL> (56)
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INCB024360.cdx
csChFnd80/04212016432D

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IDO

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914471-09-3

>  <URL> (57)
http://www.selleckchem.com/products/incb024360.html

$$$$
Hydroxychloroquine sulfate.cdx
csChFnd80/04212016432D

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Hydroxychloroquine Sulfate

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N/A

>  <Target> (58)
Autophagy

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Sulfate

>  <CAS> (58)
747-36-4

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

$$$$
SB225002.cdx
csChFnd80/04212016432D

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2938

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C13H10BrN3O4

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SB225002

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CXCR

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182498-32-4

>  <URL> (59)
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csChFnd80/04212016432D

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>  <Mol_ID> (60)
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>  <Synonyms> (60)
NOV120101

>  <Target> (60)
EGFR

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1092364-38-9

>  <URL> (60)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
Indoximod.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (61)
2989

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C12H14N2O2

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Indoximod (NLG-8189)

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1-Methyl-D-tryptophan

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IDO

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Free Base

>  <CAS> (61)
110117-83-4

>  <URL> (61)
http://www.selleckchem.com/products/indoximod-nlg-8189.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (62)
3028

>  <Formula> (62)
C32H33ClFN5O11

>  <MolWeight> (62)
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>  <Cat> (62)
S7810

>  <Name> (62)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (62)
N/A

>  <Target> (62)
EGFR

>  <Form> (62)
Dimaleate

>  <CAS> (62)
850140-73-7

>  <URL> (62)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
BBI608(Napabucasin.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (63)
3071

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C14H8O4

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Napabucasin

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N/A

>  <Target> (63)
STAT

>  <Form> (63)
Free Base

>  <CAS> (63)
83280-65-3

>  <URL> (63)
http://www.selleckchem.com/products/napabucasin-bbi608.html

$$$$
VTX-2337.cdx
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M  END
>  <Mol_ID> (64)
3092

>  <Formula> (64)
C28H34N4O2

>  <MolWeight> (64)
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>  <Cat> (64)
S7161

>  <Name> (64)
Motolimod (VTX-2337)

>  <Synonyms> (64)
N/A

>  <Target> (64)
TLR

>  <Form> (64)
Free Base

>  <CAS> (64)
926927-61-9

>  <URL> (64)
http://www.selleckchem.com/products/motolimod-vtx-2337.html

$$$$
Resiquimod.cdx
csChFnd80/04212016432D

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M  END
>  <Mol_ID> (65)
3105

>  <Formula> (65)
C17H22N4O2

>  <MolWeight> (65)
314.38218

>  <Cat> (65)
S8133

>  <Name> (65)
Resiquimod

>  <Synonyms> (65)
R-848

>  <Target> (65)
TLR

>  <Form> (65)
Free Base

>  <CAS> (65)
144875-48-9

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

$$$$
SCH58261.cdx
csChFnd80/04212016432D

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M  END
>  <Mol_ID> (66)
3129

>  <Formula> (66)
C18H15N7O

>  <MolWeight> (66)
345.358

>  <Cat> (66)
S8104

>  <Name> (66)
SCH58261

>  <Synonyms> (66)
N/A

>  <Target> (66)
Adenosine Receptor

>  <Form> (66)
Free Base

>  <CAS> (66)
160098-96-4

>  <URL> (66)
http://www.selleckchem.com/products/sch58261.html

$$$$
STA-21.cdx
csChFnd80/04212016432D

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M  END
>  <Mol_ID> (67)
3131

>  <Formula> (67)
C19H14O4

>  <MolWeight> (67)
306.31206

>  <Cat> (67)
S7951

>  <Name> (67)
STA-21

>  <Synonyms> (67)
N/A

>  <Target> (67)
STAT

>  <Form> (67)
Free Base

>  <CAS> (67)
111540-00-2

>  <URL> (67)
http://www.selleckchem.com/products/sta-21.html

$$$$
BEC Hydrochloride.cdx
csChFnd80/04212016432D

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M  END
>  <Mol_ID> (68)
3138

>  <Formula> (68)
C5H13BClNO4S

>  <MolWeight> (68)
229.49002

>  <Cat> (68)
S7929

>  <Name> (68)
BEC Hydrochloride

>  <Synonyms> (68)
N/A

>  <Target> (68)
Others

>  <Form> (68)
hydrochloride salt

>  <CAS> (68)
222638-67-7

>  <URL> (68)
http://www.selleckchem.com/products/bec-hydrochloride.html

$$$$
PD-1PD-L1 inhibitor 1.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (69)
3140

>  <Formula> (69)
C29H33NO5

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>  <Cat> (69)
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>  <Name> (69)
PD-1/PD-L1 inhibitor 1

>  <Synonyms> (69)
N/A

>  <Target> (69)
PD-1/PD-L1

>  <Form> (69)
Free Base

>  <CAS> (69)
1675201-83-8

>  <URL> (69)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-1.html

$$$$
ZM241385.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (70)
3211

>  <Formula> (70)
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>  <MolWeight> (70)
337.336

>  <Cat> (70)
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>  <Name> (70)
ZM241385

>  <Synonyms> (70)
N/A
N/A

>  <Target> (70)
Adenosine Receptor

>  <Form> (70)
Free Base

>  <CAS> (70)
139180-30-6

>  <URL> (70)
http://www.selleckchem.com/products/zm241385.html

$$$$
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1337878-62-2

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1228585-88-3

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874911-96-3

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http://www.selleckchem.com/products/zk756326.html

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1384426-12-3

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1849590-01-7

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http://www.selleckchem.com/products/eft-508.html

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STAT

>  <Form> (79)
Free Base

>  <CAS> (79)
1456632-41-9

>  <URL> (79)
http://www.selleckchem.com/products/sh5-07.html

$$$$
AMD3465.cdx
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3381

>  <Formula> (80)
C24H44Br6N6

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896.07036

>  <Cat> (80)
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>  <Name> (80)
AMD3465 hexahydrobromide

>  <Synonyms> (80)
N/A

>  <Target> (80)
CXCR

>  <Form> (80)
HBr

>  <CAS> (80)
185991-07-5, 185991-24-6 (free base)

>  <URL> (80)
http://www.selleckchem.com/products/amd3465.html

$$$$
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csChFnd80/04212016432D

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3396

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C15H18O2

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>  <Name> (81)
Atractylenolide I

>  <Synonyms> (81)
N/A

>  <Target> (81)
Immunology & Inflammation related

>  <Form> (81)
Free Base

>  <CAS> (81)
73069-13-3
73069-13-3

>  <URL> (81)
http://www.selleckchem.com/products/atractylenolide-i.html

$$$$
DAPTA.cdx
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M  END
>  <Mol_ID> (82)
3428

>  <Formula> (82)
C35H56N10O15

>  <MolWeight> (82)
856.87714

>  <Cat> (82)
S8501

>  <Name> (82)
DAPTA

>  <Synonyms> (82)
D-Ala-peptide T-amide, peptide T

>  <Target> (82)
gp120 Bal-CCR5,CM235-CCR5

>  <Form> (82)
free base

>  <CAS> (82)
106362-34-9

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

$$$$
AUNP-12.cdx
csChFnd80/04212016432D

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M  END
>  <Mol_ID> (83)
3441

>  <Formula> (83)
C142H226N40O48

>  <MolWeight> (83)
3261.55304

>  <Cat> (83)
S8549

>  <Name> (83)
AUNP-12

>  <Synonyms> (83)
Aur-012, Aurigene-012, Aurigene NP-12

>  <Target> (83)
PD-1

>  <CAS> (83)
1353563-85-5

>  <URL> (83)
http://www.selleckchem.com/products/aunp-12.html

$$$$
HJC0152.cdx
csChFnd80/04212016432D

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STAT3

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hydrochloride

>  <CAS> (84)
1420290-99-8

>  <URL> (84)
http://www.selleckchem.com/products/hjc0152.html

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N/A

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free base

>  <CAS> (85)
1802929-43-6

>  <URL> (85)
http://www.selleckchem.com/products/prn1371.html

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A2AR antagonist 1

>  <Synonyms> (86)
N/A

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A2AR,A1R

>  <Form> (86)
free base

>  <CAS> (86)
443103-97-7

>  <URL> (86)
http://www.selleckchem.com/products/a2ar-antagonist-1.html

$$$$
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free base

>  <CAS> (87)
266359-83-5

>  <URL> (87)
http://www.selleckchem.com/products/reparixin-repertaxin.html

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CA-4948.cdx
csChFnd80/04212016432D

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S8562

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>  <Target> (88)
IRAK4

>  <Form> (88)
free base

>  <CAS> (88)
1801343-74-7

>  <URL> (88)
http://www.selleckchem.com/products/ca-4948.html

$$$$
PF-06840003.cdx
csChFnd80/04212016432D

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EOS200271

>  <Target> (89)
IDO-1

>  <Form> (89)
free base

>  <CAS> (89)
198474-05-4

>  <URL> (89)
http://www.selleckchem.com/products/pf-06840003.html

$$$$
C188-9.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (90)
3532

>  <Formula> (90)
C27H21NO5S

>  <MolWeight> (90)
471.52434

>  <Cat> (90)
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>  <Name> (90)
C188-9

>  <Synonyms> (90)
N/A

>  <Target> (90)
STAT3

>  <Form> (90)
free base

>  <CAS> (90)
432001-19-9

>  <URL> (90)
http://www.selleckchem.com/products/c188-9.html

$$$$
IDO inhibitor 1.cdx
csChFnd80/04212016432D

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>  <Mol_ID> (91)
3563

>  <Formula> (91)
C29H35N7O

>  <MolWeight> (91)
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>  <Cat> (91)
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>  <Name> (91)
IDO inhibitor 1

>  <Synonyms> (91)
N/A

>  <Target> (91)
IDO

>  <Form> (91)
free base

>  <CAS> (91)
1668565-74-9

>  <URL> (91)
http://www.selleckchem.com/products/mucic-acid.html

$$$$
GO-203.cdx
csChFnd80/04212016432D

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M  END
>  <Mol_ID> (92)
3601

>  <Formula> (92)
C89H171F3N52O21S2

>  <MolWeight> (92)
2426.7710496

>  <Cat> (92)
S8674

>  <Name> (92)
GO-203

>  <Synonyms> (92)
N/A

>  <Target> (92)
MUC-1C

>  <Form> (92)
trifluoroacetate

>  <CAS> (92)
1222186-26-6

>  <URL> (92)
http://www.selleckchem.com/products/go-203.html

$$$$
S5249 Coptisine chloride.cdx
csChFnd80/04212016432D

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    8.5867    1.4888    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (93)
3667

>  <Formula> (93)
C19H14ClNO4

>  <MolWeight> (93)
355.77176

>  <Cat> (93)
S5249

>  <Name> (93)
Coptisine chloride

>  <Synonyms> (93)
Q-100696, NSC-119754

>  <Target> (93)
Others

>  <Form> (93)
chloride 

>  <CAS> (93)
6020-18-4

>  <URL> (93)
http://selleckchem.com/products/coptisine-chloride.html

$$$$
Cu-CPT22.cdx
csChFnd80/04212016432D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8355    7.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8355    5.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    4.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    5.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    7.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6183    7.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9399    7.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    7.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9017    6.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2981    5.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9453    4.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6270    9.3472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1570    8.7714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1884    4.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5693    4.3218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5882    1.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9690    1.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8593    0.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2402    1.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1305    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5113    0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  2  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
  6 15  1  0  0  0  0
  5 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (94)
3722

>  <Formula> (94)
C19H22O7

>  <MolWeight> (94)
362.37378

>  <Cat> (94)
S8677

>  <Name> (94)
Cu-CPT22

>  <Synonyms> (94)
N/A

>  <Target> (94)
TLR

>  <Form> (94)
free base

>  <CAS> (94)
1416324-85-0

>  <URL> (94)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/04212016432D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    5.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (95)
3750

>  <Formula> (95)
C10H16N5O8P

>  <MolWeight> (95)
365.236501

>  <Cat> (95)
S5284

>  <Name> (95)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (95)
5'-Adenylic acid, 5'-AMP

>  <Target> (95)
AMPK

>  <Form> (95)
hydrate 

>  <CAS> (95)
18422-05-4

>  <URL> (95)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
DCC-2618.cdx
csChFnd80/04212016432D

 36 40  0  0  0  0  0  0  0  0999 V2000
    4.8205    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3076    1.6834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5200    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5200    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3697    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3697    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5822    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7946    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7946    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5822    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4324    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0324    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.2124    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
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  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 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
 19 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 19  1  0  0  0  0
  7 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35  7  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (96)
3834

>  <Formula> (96)
C26H21F2N5O3

>  <MolWeight> (96)
489.4734464

>  <Cat> (96)
S8721

>  <Name> (96)
DCC-2618

>  <Synonyms> (96)
N/A

>  <Target> (96)
c-Kit

>  <CAS> (96)
 1225278-16-9

>  <URL> (96)
http://selleckchem.com/products/dcc-2618.html

$$$$
S5358 Regadenoson.cdx
csChFnd80/04212016432D

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.0566    4.9287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7160    5.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4714    3.5916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4912    4.6762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2661    5.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7160    6.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2661    6.8078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0753    7.1886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0537    4.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6529    2.4746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8887    6.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8026    3.1234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5497    2.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5147    7.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9258    3.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8026    1.7030    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.2089    1.4036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  6  0  0  0
 11  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  2  2  0  0  0  0
 10  3  1  0  0  0  0
 12  3  1  0  0  0  0
  5  4  2  0  0  0  0
  7  5  1  0  0  0  0
  9  5  1  0  0  0  0
 14  6  1  0  0  0  0
  8  6  1  0  0  0  0
  7 14  2  0  0  0  0
  8 11  2  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 10 23  1  1  0  0  0
 18 12  1  0  0  0  0
 13 16  2  0  0  0  0
 19 13  1  0  0  0  0
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 22 14  1  0  0  0  0
 20 15  2  0  0  0  0
 17 25  1  1  0  0  0
 18 17  1  0  0  0  0
 18 26  1  6  0  0  0
 21 19  2  0  0  0  0
 24 19  1  0  0  0  0
 28 24  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (97)
4050

>  <Formula> (97)
C15H18N8O5

>  <MolWeight> (97)
390.35402

>  <Cat> (97)
S5358

>  <Name> (97)
Regadenoson

>  <Synonyms> (97)
CVT-3146, Lexiscan

>  <Target> (97)
Adenosine Receptor

>  <Form> (97)
free base

>  <CAS> (97)
313348-27-5  

>  <URL> (97)
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 39 38  2  0  0  0  0
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 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
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 43 48  1  0  0  0  0
 44 45  1  0  0  0  0
 45 50  1  0  0  0  0
 45 46  2  0  0  0  0
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 47 48  2  0  0  0  0
 24 51  1  0  0  0  0
 51 52  2  0  0  0  0
 52 53  1  0  0  0  0
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 54 55  1  0  0  0  0
 55 51  1  0  0  0  0
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 58 59  1  0  0  0  0
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M  END
>  <Mol_ID> (101)
4684

>  <Formula> (101)
C43H44ClFN4O11S3

>  <MolWeight> (101)
943.4760632

>  <Cat> (101)
S5241

>  <Name> (101)
Lapatinib ditosylate monohydrate

>  <Synonyms> (101)
Tykerb Ditosylate

>  <Target> (101)
Others

>  <Form> (101)
ditosylate monohydrate

>  <CAS> (101)
388082-78-8

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

$$$$

csChFnd80/04212016432D

 29 30  0  0  0  0  0  0  0  0999 V2000
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   10.0212    7.3466    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7368    7.8254    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1781    8.7253    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1212    3.7093    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.8937    5.8216    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  5 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 14 17  1  0  0  0  0
  9 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 29  1  0  0  0  0
M  END
>  <Mol_ID> (102)
4833

>  <Formula> (102)
C17H10F9NO2

>  <MolWeight> (102)
431.2524288

>  <Cat> (102)
S5775

>  <Name> (102)
SR1078

>  <Synonyms> (102)
N/A

>  <Target> (102)
Others

>  <Form> (102)
Free Base

>  <CAS> (102)
1246525-60-9

>  <URL> (102)
http://www.selleckchem.com/products/sr1078.html

$$$$

csChFnd80/04212016432D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 12 22  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (103)
4888

>  <Formula> (103)
C17H13ClN2O3

>  <MolWeight> (103)
328.74972

>  <Cat> (103)
S8813

>  <Name> (103)
LIT-927

>  <Synonyms> (103)
N/A

>  <Target> (103)
CXCR

>  <Form> (103)
Free Base

>  <CAS> (103)
2172879-52-4

>  <URL> (103)
http://www.selleckchem.com/products/lit-927.html

$$$$

csChFnd80/04212016432D

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 21  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
 33 34  3  0  0  0  0
M  END
>  <Mol_ID> (104)
5218

>  <Formula> (104)
C27H25N5O2

>  <MolWeight> (104)
451.5197

>  <Cat> (104)
S8755

>  <Name> (104)
AZ304

>  <Synonyms> (104)
N/A

>  <Target> (104)
Raf

>  <Form> (104)
free base

>  <CAS> (104)
942507-42-8

>  <URL> (104)
http://www.selleck.cn/products/az304.html

$$$$

csChFnd80/04212016432D

  8  7  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <Mol_ID> (105)
5269

>  <Formula> (105)
C5H11NO2

>  <MolWeight> (105)
117.14634

>  <Cat> (105)
S6334

>  <Name> (105)
DL-Norvaline

>  <Synonyms> (105)
2-Aminopentanoic acid, H-DL-Nva-OH, 2-Aminovaleric acid, ¦Á-Aminopentanoic acid

>  <Target> (105)
Others

>  <Form> (105)
free base

>  <CAS> (105)
760-78-1

>  <URL> (105)
http://www.selleck.cn/products/dl-norvaline.html

$$$$

csChFnd80/04212016432D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7049    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8976    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.8951    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.1976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (106)
5297

>  <Formula> (106)
C13H8Cl2N2O4

>  <MolWeight> (106)
327.11962

>  <Cat> (106)
S3030

>  <Name> (106)
Niclosamide

>  <Synonyms> (106)
Niclocide

>  <Target> (106)
STAT

>  <Form> (106)
Free Base

>  <CAS> (106)
50-65-7

>  <URL> (106)
http://www.selleck.cn/products/niclosamide-niclocide.html

$$$$

csChFnd80/04212016432D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  3  6  1  0  0  0  0
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  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 13  3  0  0  0  0
 12 14  3  0  0  0  0
M  END
>  <Mol_ID> (107)
6681

>  <Formula> (107)
C9H5ClN4

>  <MolWeight> (107)
204.6158

>  <Cat> (107)
S6494

>  <Name> (107)
CCCP

>  <Synonyms> (107)
Carbonyl cyanide m-chlorophenyl hydrazone

>  <Target> (107)
Others

>  <Form> (107)
free base

>  <CAS> (107)
555-60-2

>  <URL> (107)
http://www.selleck.cn/products/cccp.html

$$$$

csChFnd80/04212016432D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    4.8497    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  6 17  1  0  0  0  0
  6 20  1  0  0  0  0
  7 13  1  0  0  0  0
  8 13  2  0  0  0  0
  8 18  1  0  0  0  0
  9 17  2  0  0  0  0
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 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
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 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (108)
6724

>  <Formula> (108)
C11H9Cl2N3O3S

>  <MolWeight> (108)
334.17846

>  <Cat> (108)
S6555

>  <Name> (108)
AZD2098

>  <Synonyms> (108)
N/A

>  <Target> (108)
CCR

>  <Form> (108)
free base

>  <CAS> (108)
566203-88-1

>  <URL> (108)
http://www.selleck.cn/products/azd2098.html

$$$$

csChFnd80/04212016432D

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 22  1  0  0  0  0
  2  9  1  0  0  0  0
  2 23  1  0  0  0  0
  3 10  1  0  0  0  0
  3 24  1  0  0  0  0
  4 17  1  0  0  0  0
  4 25  1  0  0  0  0
  5 20  1  0  0  0  0
  5 26  1  0  0  0  0
  6 16  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (109)
6733

>  <Formula> (109)
C20H22O6

>  <MolWeight> (109)
358.38508

>  <Cat> (109)
S6573

>  <Name> (109)
MD2-IN-1

>  <Synonyms> (109)
N/A

>  <Target> (109)
Others

>  <Form> (109)
free base

>  <CAS> (109)
111797-22-9

>  <URL> (109)
http://www.selleck.cn/products/md2-in-1.html

$$$$

csChFnd80/04212016432D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8827    3.1246    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   11.7056    4.2573    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
  9 10  2  0  0  0  0
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  5  9  1  0  0  0  0
 12 13  1  0  0  0  0
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 12 17  2  0  0  0  0
 15 18  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (110)
6735

>  <Formula> (110)
C11H7IN2O4

>  <MolWeight> (110)
358.08875

>  <Cat> (110)
S6575

>  <Name> (110)
C-176 STING inhibitor

>  <Synonyms> (110)
N/A

>  <Target> (110)
Others

>  <Form> (110)
free base

>  <CAS> (110)
314054-00-7

>  <URL> (110)
http://www.selleck.cn/products/c-176-sting-inhibitor.html

$$$$

csChFnd80/04212016432D

 32 34  0  0  0  0  0  0  0  0999 V2000
    8.4813    4.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6959    4.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9089    4.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9089    2.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    2.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4839    2.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1212    2.1028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3325    2.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9718    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7573    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5425    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
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 17 18  1  0  0  0  0
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 12 15  1  0  0  0  0
  4 11  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 22  1  0  0  0  0
 10 19  1  0  0  0  0
 23 24  1  0  0  0  0
  3 23  1  0  0  0  0
 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (111)
6748

>  <Formula> (111)
C25H35NO5S

>  <MolWeight> (111)
461.6141

>  <Cat> (111)
S6610

>  <Name> (111)
GSK2981278

>  <Synonyms> (111)
N/A

>  <Target> (111)
Others

>  <Form> (111)
free base

>  <CAS> (111)
1474110-21-8

>  <URL> (111)
http://www.selleck.cn/products/gsk2981278.html

$$$$

csChFnd80/04212016432D

 46 51  0  0  0  0  0  0  0  0999 V2000
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1818314-88-3

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897657-95-3

>  <URL> (113)
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954126-98-8

>  <URL> (114)
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>  <URL> (115)
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1202402-40-1

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http://www.selleck.cn/products/cpi-444.html

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N/A

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>  <URL> (117)
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IDO/TDO

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914638-30-5

>  <URL> (118)
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473727-83-2

>  <URL> (119)
http://www.selleck.cn/products/sch-527123.html

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M  END
>  <Mol_ID> (120)
6898

>  <Formula> (120)
C27H37Cl2N3O3

>  <MolWeight> (120)
522.50698

>  <Cat> (120)
S6719

>  <Name> (120)
E6446 (dihydrochloride)

>  <Synonyms> (120)
N/A

>  <Target> (120)
TLR

>  <Form> (120)
Dihydrochloride

>  <CAS> (120)
1345675-25-3

>  <URL> (120)
http://www.selleck.cn/products/e6446.html

$$$$

csChFnd80/04212016432D

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M  END
>  <Mol_ID> (121)
6918

>  <Formula> (121)
C17H17N3O

>  <MolWeight> (121)
279.33638

>  <Cat> (121)
S6652

>  <Name> (121)
H-151

>  <Synonyms> (121)
N/A

>  <Target> (121)
STING

>  <Form> (121)
Free Base

>  <CAS> (121)
941987-60-6

>  <URL> (121)
http://www.selleck.cn/products/h-151.html

$$$$

csChFnd80/04212016432D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (122)
6929

>  <Formula> (122)
C17H10N2O5

>  <MolWeight> (122)
322.2717

>  <Cat> (122)
S6667

>  <Name> (122)
C-178

>  <Synonyms> (122)
N/A

>  <Target> (122)
STING

>  <Form> (122)
Free Base

>  <CAS> (122)
329198-87-0

>  <URL> (122)
http://www.selleck.cn/products/c-178.html

$$$$
