ABT-888(Veliparib).cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (1)
3

>  <Formula> (1)
C13H16N4O

>  <MolWeight> (1)
244.29234

>  <Cat> (1)
S1004

>  <Name> (1)
Veliparib (ABT-888)

>  <Synonyms> (1)
NSC 737664

>  <Target> (1)
Apoptosis related,Autophagy,PARP

>  <Form> (1)
free base

>  <CAS> (1)
912444-00-9

>  <URL> (1)
http://selleckchem.com/products/ABT-888.html

$$$$
azd6244.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (2)
6

>  <Formula> (2)
C17H15BrClFN4O3

>  <MolWeight> (2)
457.6814032

>  <Cat> (2)
S1008

>  <Name> (2)
Selumetinib (AZD6244)

>  <Synonyms> (2)
ARRY-142886

>  <Target> (2)
Apoptosis related,MEK

>  <Form> (2)
free base

>  <CAS> (2)
606143-52-6

>  <URL> (2)
http://selleckchem.com/products/AZD6244.html

$$$$
CI1040.cdx
csChFnd80/09292414072D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3)
11

>  <Formula> (3)
C17H14ClF2IN2O2

>  <MolWeight> (3)
478.6595364

>  <Cat> (3)
S1020

>  <Name> (3)
PD184352 (CI-1040)

>  <Synonyms> (3)
N/A

>  <Target> (3)
Apoptosis related,MEK

>  <Form> (3)
free base

>  <CAS> (3)
212631-79-3

>  <URL> (3)
http://selleckchem.com/products/CI-1040-(PD184352).html

$$$$
untitled.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (4)
13

>  <Formula> (4)
C53H84NO14P

>  <MolWeight> (4)
990.206121

>  <Cat> (4)
S1022

>  <Name> (4)
Ridaforolimus (Deforolimus, MK-8669)

>  <Synonyms> (4)
AP23573

>  <Target> (4)
FKBP,mTOR

>  <Form> (4)
free base

>  <CAS> (4)
572924-54-0

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

$$$$
untitled.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (5)
19

>  <Formula> (5)
C21H23N3O2

>  <MolWeight> (5)
349.42622

>  <Cat> (5)
S1030

>  <Name> (5)
Panobinostat (LBH589)

>  <Synonyms> (5)
NVP-LBH589

>  <Target> (5)
Apoptosis related,Autophagy,HDAC,HIV Protease

>  <Form> (5)
Free Base

>  <CAS> (5)
404950-80-7

>  <URL> (5)
http://selleckchem.com/products/LBH-589.html

$$$$
untitled.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (6)
23

>  <Formula> (6)
C16H14F3IN2O4

>  <MolWeight> (6)
482.1930396

>  <Cat> (6)
S1036

>  <Name> (6)
Mirdametinib (PD0325901)

>  <Synonyms> (6)
N/A

>  <Target> (6)
MEK

>  <Form> (6)
free base

>  <CAS> (6)
391210-10-9

>  <URL> (6)
http://selleckchem.com/products/PD-0325901.html

$$$$
AR-42.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (7)
25

>  <Formula> (7)
C18H20N2O3

>  <MolWeight> (7)
312.363

>  <Cat> (7)
S2244

>  <Name> (7)
AR-42

>  <Synonyms> (7)
HDAC-42

>  <Target> (7)
HDAC

>  <Form> (7)
free base

>  <CAS> (7)
935881-37-1

>  <URL> (7)
http://selleckchem.com/products/AR-42-HDAC-42.html

$$$$
1.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (8)
26

>  <Formula> (8)
C19H16N4O3

>  <MolWeight> (8)
348.35534

>  <Cat> (8)
S1038

>  <Name> (8)
PI-103

>  <Synonyms> (8)
N/A

>  <Target> (8)
Apoptosis related,Autophagy,DNA-PK,mTOR,PI3K

>  <Form> (8)
free base

>  <CAS> (8)
371935-74-9

>  <URL> (8)
http://selleckchem.com/products/PI-103.html

$$$$
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csChFnd80/09292414072D

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>  <Mol_ID> (9)
27

>  <Formula> (9)
C51H79NO13

>  <MolWeight> (9)
914.17186

>  <Cat> (9)
S1039

>  <Name> (9)
Rapamycin (AY-22989)

>  <Synonyms> (9)
Rapamune, Sirolimus, NSC-2260804,AY-22989

>  <Target> (9)
Antineoplastic and Immunosuppressive Antibiotics,Autophagy,mTOR

>  <Form> (9)
free base

>  <CAS> (9)
53123-88-9

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

$$$$

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>  <Mol_ID> (10)
28

>  <Formula> (10)
C28H24ClF3N4O6S

>  <MolWeight> (10)
637.0265696

>  <Cat> (10)
S1040

>  <Name> (10)
Sorafenib (BAY 43-9006) tosylate

>  <Synonyms> (10)
BAY 43-9006 tosylate,NSC-724772 tosylate

>  <Target> (10)
Apoptosis related,Autophagy,c-Kit,Ferroptosis,FGFR,FLT3,PDGFR,Raf,VEGFR

>  <Form> (10)
Tosylate

>  <CAS> (10)
475207-59-1

>  <URL> (10)
http://selleckchem.com/products/Sorafenib-Tosylate.html

$$$$
untitled.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (11)
29

>  <Formula> (11)
C15H13N3S

>  <MolWeight> (11)
267.34882

>  <Cat> (11)
S1041

>  <Name> (11)
STF-62247

>  <Synonyms> (11)
N/A

>  <Target> (11)
Autophagy

>  <Form> (11)
free base

>  <CAS> (11)
315702-99-9

>  <URL> (11)
http://selleckchem.com/products/STF-62247.html

$$$$
vorinostat.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (12)
31

>  <Formula> (12)
C14H20N2O3

>  <MolWeight> (12)
264.3202

>  <Cat> (12)
S1047

>  <Name> (12)
Vorinostat (SAHA)

>  <Synonyms> (12)
SAHA,MK0683, Suberoylanilide hydroxamic acid, Zolinza

>  <Target> (12)
Autophagy,HDAC,HPV

>  <Form> (12)
free base

>  <CAS> (12)
149647-78-9

>  <URL> (12)
http://selleckchem.com/products/Vorinostat-saha.html

$$$$
untitled.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (13)
35

>  <Formula> (13)
C21H20N4O3

>  <MolWeight> (13)
376.4085

>  <Cat> (13)
S1053

>  <Name> (13)
Entinostat (MS-275)

>  <Synonyms> (13)
SNDX-275

>  <Target> (13)
Apoptosis related,Autophagy,HDAC

>  <Form> (13)
free base

>  <CAS> (13)
209783-80-2

>  <URL> (13)
http://selleckchem.com/products/MS-275.html

$$$$
untitled.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (14)
36

>  <Formula> (14)
C32H29N5O2

>  <MolWeight> (14)
515.60496

>  <Cat> (14)
S1055

>  <Name> (14)
Enzastaurin (LY317615)

>  <Synonyms> (14)
N/A

>  <Target> (14)
PKC

>  <Form> (14)
free base

>  <CAS> (14)
170364-57-5

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

$$$$
AZD2281.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (15)
38

>  <Formula> (15)
C24H23FN4O3

>  <MolWeight> (15)
434.4628232

>  <Cat> (15)
S1060

>  <Name> (15)
Olaparib (AZD2281)

>  <Synonyms> (15)
Ku-0059436

>  <Target> (15)
Autophagy,Mitophagy,PARP

>  <Form> (15)
free base

>  <CAS> (15)
763113-22-0

>  <URL> (15)
http://selleckchem.com/products/AZD2281(Olaparib).html

$$$$
untitled.cdx
csChFnd80/09292414072D

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    1.3932    1.2431    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1531    0.0730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  7  8  1  0  0  0  0
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  1 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 17 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (16)
41

>  <Formula> (16)
C23H27N7O3S2

>  <MolWeight> (16)
513.63558

>  <Cat> (16)
S1065

>  <Name> (16)
Pictilisib (GDC-0941)

>  <Synonyms> (16)
RG7321

>  <Target> (16)
Apoptosis related,Autophagy,PI3K

>  <Form> (16)
free base

>  <CAS> (16)
957054-30-7

>  <URL> (16)
http://selleckchem.com/products/GDC-0941.html

$$$$
1.cdx
csChFnd80/09292414072D

 30 34  0  0  0  0  0  0  0  0999 V2000
    3.6331    6.1529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 12 13  2  0  0  0  0
 13  9  1  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
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 17 11  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  8  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27  7  1  0  0  0  0
 13 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (17)
44

>  <Formula> (17)
C19H21F2N7O2

>  <MolWeight> (17)
417.4125464

>  <Cat> (17)
S1072

>  <Name> (17)
ZSTK474

>  <Synonyms> (17)
N/A

>  <Target> (17)
PI3K

>  <Form> (17)
free base

>  <CAS> (17)
475110-96-4

>  <URL> (17)
http://selleckchem.com/products/ZSTK474.html

$$$$
1.cdx
csChFnd80/09292414072D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4567    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
  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
 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
 14 15  2  0  0  0  0
 12 16  2  0  0  0  0
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 17 18  2  0  0  0  0
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  9 23  1  0  0  0  0
 22 24  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (18)
45

>  <Formula> (18)
C19H12Cl2N2O2

>  <MolWeight> (18)
371.21678

>  <Cat> (18)
S1075

>  <Name> (18)
SB216763

>  <Synonyms> (18)
N/A

>  <Target> (18)
Autophagy,GSK-3

>  <Form> (18)
free base

>  <CAS> (18)
280744-09-4

>  <URL> (18)
http://selleckchem.com/products/SB-216763.html

$$$$
SB203580.cdx
csChFnd80/09292414072D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (19)
46

>  <Formula> (19)
C21H16FN3OS

>  <MolWeight> (19)
377.4346432

>  <Cat> (19)
S1076

>  <Name> (19)
Adezmapimod (SB203580)

>  <Synonyms> (19)
RWJ 64809, PB 203580

>  <Target> (19)
Mitophagy,p38 MAPK

>  <Form> (19)
Free Base

>  <CAS> (19)
152121-47-6

>  <URL> (19)
http://selleckchem.com/products/SB-203580.html

$$$$
1.cdx
csChFnd80/09292414072D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (20)
47

>  <Formula> (20)
C20H14FN3O

>  <MolWeight> (20)
331.3430632

>  <Cat> (20)
S1077

>  <Name> (20)
SB202190 (FHPI)

>  <Synonyms> (20)
N/A

>  <Target> (20)
Apoptosis related,Autophagy,Ferroptosis,p38 MAPK

>  <Form> (20)
free base

>  <CAS> (20)
152121-30-7

>  <URL> (20)
http://selleckchem.com/products/SB-202190.html

$$$$

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>  <Mol_ID> (21)
48

>  <Formula> (21)
C25H23Cl2N5O

>  <MolWeight> (21)
480.38902

>  <Cat> (21)
S1078

>  <Name> (21)
MK-2206 2HCl

>  <Synonyms> (21)
N/A

>  <Target> (21)
Akt,Apoptosis related,Autophagy

>  <Form> (21)
Dihydrochloride

>  <CAS> (21)
1032350-13-2

>  <URL> (21)
http://selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
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>  <Mol_ID> (22)
52

>  <Formula> (22)
C15H14N2O4S

>  <MolWeight> (22)
318.34766

>  <Cat> (22)
S1085

>  <Name> (22)
Belinostat (PXD101)

>  <Synonyms> (22)
PXD101,NSC726630, PX-105684

>  <Target> (22)
Autophagy,HDAC

>  <Form> (22)
free base

>  <CAS> (22)
866323-14-0

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

$$$$
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>  <Mol_ID> (23)
53

>  <Formula> (23)
C7H5IN2O3

>  <MolWeight> (23)
292.03067

>  <Cat> (23)
S1087

>  <Name> (23)
Iniparib (BSI-201)

>  <Synonyms> (23)
NSC-746045, IND-71677

>  <Target> (23)
PARP

>  <Form> (23)
free base

>  <CAS> (23)
160003-66-7

>  <URL> (23)
http://selleckchem.com/products/BSI-201.html

$$$$
untitled.cdx
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>  <Mol_ID> (24)
55

>  <Formula> (24)
C21H23N3O5

>  <MolWeight> (24)
397.42442

>  <Cat> (24)
S1090

>  <Name> (24)
Abexinostat (PCI-24781)

>  <Synonyms> (24)
CRA-024781

>  <Target> (24)
HDAC

>  <Form> (24)
free base

>  <CAS> (24)
783355-60-2

>  <URL> (24)
http://selleckchem.com/products/PCI-24781.html

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (25)
56

>  <Formula> (25)
C21H17NO3S2

>  <MolWeight> (25)
395.49458

>  <Cat> (25)
S1092

>  <Name> (25)
KU-55933 (ATM Kinase Inhibitor)

>  <Synonyms> (25)
N/A

>  <Target> (25)
ATM/ATR,Autophagy,ULK

>  <Form> (25)
free base

>  <CAS> (25)
587871-26-9

>  <URL> (25)
http://selleckchem.com/products/KU-55933.html

$$$$
LAQ824.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (26)
59

>  <Formula> (26)
C22H25N3O3

>  <MolWeight> (26)
379.4522

>  <Cat> (26)
S1095

>  <Name> (26)
Dacinostat (LAQ824)

>  <Synonyms> (26)
NVP-LAQ824

>  <Target> (26)
HDAC,p21

>  <Form> (26)
free base

>  <CAS> (26)
404951-53-7

>  <URL> (26)
http://selleckchem.com/products/LAQ824(NVP-LAQ824).html

$$$$

csChFnd80/09292414072D

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>  <Mol_ID> (27)
60

>  <Formula> (27)
C19H21FN3O5P

>  <MolWeight> (27)
421.3593042

>  <Cat> (27)
S1098

>  <Name> (27)
Rucaparib (AG-014699) phosphate

>  <Synonyms> (27)
PF-01367338

>  <Target> (27)
PARP

>  <Form> (27)
Phosphate

>  <CAS> (27)
459868-92-9

>  <URL> (27)
http://selleckchem.com/products/AG-014699.html

$$$$
GDC-0879.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (28)
65

>  <Formula> (28)
C19H18N4O2

>  <MolWeight> (28)
334.37182

>  <Cat> (28)
S1104

>  <Name> (28)
GDC-0879

>  <Synonyms> (28)
AR-00341677

>  <Target> (28)
Raf

>  <Form> (28)
free base

>  <CAS> (28)
905281-76-7

>  <URL> (28)
http://selleckchem.com/products/GDC-0879.html

$$$$
untitled.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (29)
66

>  <Formula> (29)
C19H17NO3

>  <MolWeight> (29)
307.34318

>  <Cat> (29)
S1105

>  <Name> (29)
LY294002

>  <Synonyms> (29)
SF 1101, NSC 697286

>  <Target> (29)
Apoptosis related,Autophagy,Casein Kinase,DNA-PK,PI3K

>  <Form> (29)
free base

>  <CAS> (29)
154447-36-6

>  <URL> (29)
http://selleckchem.com/products/LY294002.html

$$$$
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>  <Mol_ID> (30)
67

>  <Formula> (30)
C26H19F3N4O

>  <MolWeight> (30)
460.4504696

>  <Cat> (30)
S1106

>  <Name> (30)
OSU-03012 (AR-12)

>  <Synonyms> (30)
N/A

>  <Target> (30)
PDPK1

>  <Form> (30)
free base

>  <CAS> (30)
742112-33-0

>  <URL> (30)
http://selleckchem.com/products/OSU-03012.html

$$$$
Everolimus.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (31)
74

>  <Formula> (31)
C53H83NO14

>  <MolWeight> (31)
958.22442

>  <Cat> (31)
S1120

>  <Name> (31)
Everolimus (RAD001)

>  <Synonyms> (31)
RAD001,SDZ-RAD, Afinitor

>  <Target> (31)
Apoptosis related,Autophagy,FKBP,mTOR

>  <Form> (31)
free base

>  <CAS> (31)
159351-69-6

>  <URL> (31)
http://selleckchem.com/products/Everolimus(RAD001).html

$$$$
726169-73-9.cdx
csChFnd80/09292414072D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (32)
76

>  <Formula> (32)
C23H20N6O

>  <MolWeight> (32)
396.4445

>  <Cat> (32)
S1122

>  <Name> (32)
Mocetinostat (MGCD0103)

>  <Synonyms> (32)
MG0103

>  <Target> (32)
Apoptosis related,Autophagy,HDAC

>  <Form> (32)
free base

>  <CAS> (32)
726169-73-9

>  <URL> (32)
http://selleckchem.com/products/MGCD0103(Mocetinostat).html

$$$$
ino-1001.cdx
csChFnd80/09292414072D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (33)
78

>  <Formula> (33)
C7H8N2O

>  <MolWeight> (33)
136.15122

>  <Cat> (33)
S1132

>  <Name> (33)
3-Aminobenzamide

>  <Synonyms> (33)
3-ABA , 3-amino Benzamide, 3-AB

>  <Target> (33)
Apoptosis related,PARP

>  <Form> (33)
free base

>  <CAS> (33)
3544-24-9

>  <URL> (33)
https://www.selleckchem.com/products/3-aminobenzamide.html

$$$$
untitled.cdx
csChFnd80/09292414072D

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STAT

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free base

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501919-59-1

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663619-89-4

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M  END
>  <Mol_ID> (38)
118

>  <Formula> (38)
C24H26N4O4

>  <MolWeight> (38)
434.48764

>  <Cat> (38)
S1194

>  <Name> (38)
CUDC-101

>  <Synonyms> (38)
N/A

>  <Target> (38)
EGFR,HDAC,HER2

>  <Form> (38)
free base

>  <CAS> (38)
1012054-59-9

>  <URL> (38)
http://selleckchem.com/products/CUDC-101.html

$$$$
KU-0063794.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (39)
134

>  <Formula> (39)
C25H31N5O4

>  <MolWeight> (39)
465.54474

>  <Cat> (39)
S1226

>  <Name> (39)
KU-0063794

>  <Synonyms> (39)
N/A

>  <Target> (39)
mTOR

>  <Form> (39)
free base

>  <CAS> (39)
938440-64-3

>  <URL> (39)
http://selleckchem.com/products/KU-0063794.html

$$$$
2-Methoxyestradiol.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (40)
138

>  <Formula> (40)
C19H26O3

>  <MolWeight> (40)
302.40794

>  <Cat> (40)
S1233

>  <Name> (40)
2-Methoxyestradiol (2-MeOE2)

>  <Synonyms> (40)
NSC 659853, 2-ME2

>  <Target> (40)
Apoptosis related,Autophagy,HIF,Microtubule Associated

>  <Form> (40)
free base

>  <CAS> (40)
362-07-2

>  <URL> (40)
http://selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
WYE-354.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (41)
156

>  <Formula> (41)
C24H29N7O5

>  <MolWeight> (41)
495.53096

>  <Cat> (41)
S1266

>  <Name> (41)
WYE-354

>  <Synonyms> (41)
N/A

>  <Target> (41)
mTOR

>  <Form> (41)
free base

>  <CAS> (41)
1062169-56-5

>  <URL> (41)
http://selleckchem.com/products/WYE-354.html

$$$$
PLX-4032.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (42)
157

>  <Formula> (42)
C23H18ClF2N3O3S

>  <MolWeight> (42)
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>  <Cat> (42)
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>  <Name> (42)
Vemurafenib (PLX4032)

>  <Synonyms> (42)
RG7204, RO5185426,PLX4032

>  <Target> (42)
Autophagy,Raf

>  <Form> (42)
free base

>  <CAS> (42)
918504-65-1

>  <URL> (42)
http://selleckchem.com/products/PLX-4032.html

$$$$
TG100-115.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (43)
223

>  <Formula> (43)
C18H14N6O2

>  <MolWeight> (43)
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>  <Cat> (43)
S1352

>  <Name> (43)
TG100-115

>  <Synonyms> (43)
N/A

>  <Target> (43)
PI3K

>  <Form> (43)
free base

>  <CAS> (43)
677297-51-7

>  <URL> (43)
http://selleckchem.com/products/TG100-115.html

$$$$
Droxinostat.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (44)
260

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C11H14ClNO3

>  <MolWeight> (44)
243.68676

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S1422

>  <Name> (44)
Droxinostat

>  <Synonyms> (44)
NS 41080

>  <Target> (44)
HDAC

>  <Form> (44)
free base

>  <CAS> (44)
99873-43-5

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

$$$$
sp600125.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (45)
281

>  <Formula> (45)
C14H8N2O

>  <MolWeight> (45)
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>  <Cat> (45)
S1460

>  <Name> (45)
SP600125

>  <Synonyms> (45)
Nsc75890

>  <Target> (45)
Apoptosis related,Aurora Kinase,Autophagy,FLT3,JNK,Serine/threonin kinase,Trk receptor

>  <Form> (45)
free base

>  <CAS> (45)
129-56-6

>  <URL> (45)
http://selleckchem.com/products/SP600125.html

$$$$
FG-4592.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (46)
282

>  <Formula> (46)
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>  <Cat> (46)
S1007

>  <Name> (46)
Roxadustat (FG-4592)

>  <Synonyms> (46)
ASP1517

>  <Target> (46)
Ferroptosis,HIF

>  <Form> (46)
free base

>  <CAS> (46)
808118-40-3

>  <URL> (46)
http://selleckchem.com/products/fg-4592.html

$$$$
AS-703026.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (47)
290

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>  <Cat> (47)
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>  <Name> (47)
Pimasertib (AS-703026)

>  <Synonyms> (47)
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>  <Target> (47)
MEK

>  <Form> (47)
free base

>  <CAS> (47)
1236699-92-5

>  <URL> (47)
http://selleckchem.com/products/AS703026.html

$$$$
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free base

>  <CAS> (50)
929016-96-6

>  <URL> (50)
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>  <URL> (51)
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>  <Mol_ID> (56)
333

>  <Formula> (56)
C25H31N5O4

>  <MolWeight> (56)
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>  <Cat> (56)
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>  <Name> (56)
AZD8055

>  <Synonyms> (56)
N/A

>  <Target> (56)
Apoptosis related,Autophagy,mTOR

>  <Form> (56)
free base

>  <CAS> (56)
1009298-09-2

>  <URL> (56)
http://selleckchem.com/products/AZD8055.html

$$$$
PHT-427.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (57)
335

>  <Formula> (57)
C20H31N3O2S2

>  <MolWeight> (57)
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>  <Cat> (57)
S1556

>  <Name> (57)
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>  <Synonyms> (57)
CS-0223

>  <Target> (57)
Akt,PDPK1

>  <Form> (57)
free base

>  <CAS> (57)
1191951-57-1

>  <URL> (57)
http://selleckchem.com/products/PHT-427.html

$$$$
AT7867.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (58)
338

>  <Formula> (58)
C20H20ClN3

>  <MolWeight> (58)
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>  <Cat> (58)
S1558

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AT7867

>  <Synonyms> (58)
N/A

>  <Target> (58)
Akt,S6 Kinase

>  <Form> (58)
free base

>  <CAS> (58)
857531-00-1

>  <URL> (58)
http://selleckchem.com/products/AT7867.html

$$$$
PD318088.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (59)
342

>  <Formula> (59)
C16H13BrF3IN2O4

>  <MolWeight> (59)
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>  <Cat> (59)
S1568

>  <Name> (59)
PD318088

>  <Synonyms> (59)
N/A

>  <Target> (59)
MEK

>  <Form> (59)
free base

>  <CAS> (59)
391210-00-7

>  <URL> (59)
http://selleckchem.com/products/PD318088.html

$$$$
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csChFnd80/09292414072D

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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  2  0  0  0  0
 19 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  1  0  0  0  0
 32 27  1  0  0  0  0
 25 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 25  1  0  0  0  0
 36 38  1  1  0  0  0
 34 39  1  1  0  0  0
M  END
>  <Mol_ID> (60)
344

>  <Formula> (60)
C30H33N3O5S

>  <MolWeight> (60)
547.66512

>  <Cat> (60)
S1570

>  <Name> (60)
KU-60019

>  <Synonyms> (60)
N/A

>  <Target> (60)
ATM/ATR

>  <Form> (60)
free base

>  <CAS> (60)
925701-49-1

>  <URL> (60)
http://selleckchem.com/products/KU-60019.html

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/09292414072D

 39 43  0  0  0  0  0  0  0  0999 V2000
    8.3036    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    8.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    3.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    8.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3532    8.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5614    7.4376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    5.3400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6789    5.3400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4707    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    7.4327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244    7.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    7.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    6.5085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    5.4681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    8.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075   10.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0252   10.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9017    4.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791    2.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    1.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421    3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5614    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7738    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    6.0376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7738    8.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0295    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  5 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
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 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 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 23 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 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 14 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 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (61)
347

>  <Formula> (61)
C31H37N5O3

>  <MolWeight> (61)
527.65718

>  <Cat> (61)
S1574

>  <Name> (61)
Doramapimod (BIRB 796)

>  <Synonyms> (61)
N/A

>  <Target> (61)
JNK,p38 MAPK,Raf,Src

>  <Form> (61)
free base

>  <CAS> (61)
285983-48-4

>  <URL> (61)
http://selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
ALLOPURINOL (allopurinol).cdx
csChFnd80/09292414072D

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  2  0  0  0  0
M  END
>  <Mol_ID> (62)
373

>  <Formula> (62)
C5H4N4O

>  <MolWeight> (62)
136.11146

>  <Cat> (62)
S1630

>  <Name> (62)
Allopurinol

>  <Synonyms> (62)
N/A

>  <Target> (62)
ROS

>  <Form> (62)
Free Base

>  <CAS> (62)
315-30-0

>  <URL> (62)
http://selleckchem.com/products/Allopurinol(Zyloprim).html

$$$$
ALOPRIM (allopurinol sodium).cdx
csChFnd80/09292414072D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7834    3.2220    0.0000 Na  0  3  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  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (63)
374

>  <Formula> (63)
C5H4N4NaO+

>  <MolWeight> (63)
159.10123

>  <Cat> (63)
S1631

>  <Name> (63)
Allopurinol Sodium

>  <Synonyms> (63)
N/A

>  <Target> (63)
ROS

>  <Form> (63)
Sodium Salt

>  <CAS> (63)
17795-21-0

>  <URL> (63)
http://selleckchem.com/products/Allopurinol-Sodium(Aloprim).html

$$$$
Artesunate.cdx
csChFnd80/09292414072D

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.5918    3.4838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2242    3.1843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7998    1.8501    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7430    0.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1106    1.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5350    2.4491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2103    4.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6140    6.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2519    6.3299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1497    5.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1374    4.0667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9903    3.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9026    2.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7698    3.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3454    2.4331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2886    1.3985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7352    0.4516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1951    5.2953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2589    4.1274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9535    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9586    4.8220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9778    2.1336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6102    1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1873    0.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6703    2.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3027    2.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    4.9261    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
  1  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  2  1  0  0  0  0
  1 12  1  6  0  0  0
  6 13  1  6  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  3  1  0  0  0  0
  3 17  1  6  0  0  0
  9 18  1  0  0  0  0
  2 19  1  6  0  0  0
 18 19  1  0  0  0  0
  9 20  1  1  0  0  0
 11 21  1  1  0  0  0
 16 22  1  1  0  0  0
 15 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 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
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (64)
384

>  <Formula> (64)
C19H28O8

>  <MolWeight> (64)
384.42082

>  <Cat> (64)
S2265

>  <Name> (64)
Artesunate (WR-256283)

>  <Synonyms> (64)
WR-256283

>  <Target> (64)
ADC Cytotoxin,STAT

>  <Form> (64)
free base

>  <CAS> (64)
88495-63-0

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

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/09292414072D

 21 18  0  0  0  0  0  0  0  0999 V2000
    2.7976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   16.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   13.2726    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5107    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.8951   15.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   13.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   15.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4639   16.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4615   11.9956    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
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (65)
415

>  <Formula> (65)
C16H31NaO4

>  <MolWeight> (65)
310.40471

>  <Cat> (65)
S1703

>  <Name> (65)
Divalproex Sodium

>  <Synonyms> (65)
N/A

>  <Target> (65)
HDAC

>  <Form> (65)
Sodium Salt

>  <CAS> (65)
76584-70-8

>  <URL> (65)
http://selleckchem.com/products/Divalproex-sodium.html

$$$$
Tangeretin.cdx
csChFnd80/09292414072D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.5605    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (66)
500

>  <Formula> (66)
C20H20O7

>  <MolWeight> (66)
372.3686

>  <Cat> (66)
S2363

>  <Name> (66)
Tangeretin

>  <Synonyms> (66)
Tangeritin

>  <Target> (66)
Antioxidant

>  <Form> (66)
free base

>  <CAS> (66)
481-53-8

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

$$$$
Indirubin.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (67)
519

>  <Formula> (67)
C16H10N2O2

>  <MolWeight> (67)
262.2628

>  <Cat> (67)
S2386

>  <Name> (67)
Indirubin?(NSC 105327)

>  <Synonyms> (67)
NSC 105327

>  <Target> (67)
GSK-3

>  <Form> (67)
free base

>  <CAS> (67)
479-41-4

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

$$$$
CHIR-98014.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (68)
542

>  <Formula> (68)
C20H17Cl2N9O2

>  <MolWeight> (68)
486.31408

>  <Cat> (68)
S2745

>  <Name> (68)
CHIR-98014

>  <Synonyms> (68)
CT98014

>  <Target> (68)
GSK-3

>  <Form> (68)
free base

>  <CAS> (68)
252935-94-7

>  <URL> (68)
http://selleckchem.com/products/chir-98014.html

$$$$

csChFnd80/09292414072D

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>  <Mol_ID> (69)
547

>  <Formula> (69)
C32H29F3N6O6

>  <MolWeight> (69)
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>  <Cat> (69)
S2749

>  <Name> (69)
BGT226 (NVP-BGT226) maleate

>  <Synonyms> (69)
N/A

>  <Target> (69)
mTOR,PI3K

>  <Form> (69)
maleate

>  <CAS> (69)
1245537-68-1

>  <URL> (69)
http://selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
csChFnd80/09292414072D

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>  <MolWeight> (70)
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>  <Cat> (70)
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>  <Name> (70)
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>  <Synonyms> (70)
N/A

>  <Target> (70)
Autophagy,PI3K,PIKfyve

>  <Form> (70)
free base

>  <CAS> (70)
371942-69-7

>  <URL> (70)
http://selleckchem.com/products/ym201636.html

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>  <Mol_ID> (71)
555

>  <Formula> (71)
C23H26IN7O2S

>  <MolWeight> (71)
591.46771

>  <Cat> (71)
S1274

>  <Name> (71)
BX-795

>  <Synonyms> (71)
N/A

>  <Target> (71)
Autophagy,I¦ÊB/IKK,PDPK1,TBK1

>  <Form> (71)
free base

>  <CAS> (71)
702675-74-9

>  <URL> (71)
http://selleckchem.com/products/bx-795.html

$$$$
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>  <Mol_ID> (72)
556

>  <Formula> (72)
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>  <MolWeight> (72)
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>  <Cat> (72)
S1275

>  <Name> (72)
BX-912

>  <Synonyms> (72)
N/A

>  <Target> (72)
PDK

>  <Form> (72)
free base

>  <CAS> (72)
702674-56-4

>  <URL> (72)
http://selleckchem.com/products/bx-912.html

$$$$
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>  <Mol_ID> (73)
559

>  <Formula> (73)
C17H16N2O3

>  <MolWeight> (73)
296.32054

>  <Cat> (73)
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>  <Name> (73)
PCI-34051

>  <Synonyms> (73)
N/A

>  <Target> (73)
Apoptosis related,HDAC

>  <Form> (73)
free base

>  <CAS> (73)
950762-95-5

>  <URL> (73)
http://selleckchem.com/products/pci-34051.html

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>  <Mol_ID> (74)
564

>  <Formula> (74)
C23H24N8O4S

>  <MolWeight> (74)
508.55286

>  <Cat> (74)
S2759

>  <Name> (74)
Fimepinostat (CUDC-907)

>  <Synonyms> (74)
N/A

>  <Target> (74)
Apoptosis related,HDAC,PI3K

>  <Form> (74)
free base

>  <CAS> (74)
1339928-25-4

>  <URL> (74)
http://selleckchem.com/products/pi3k-hdac-inhibitor-i.html

$$$$
M344.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (75)
575

>  <Formula> (75)
C16H25N3O3

>  <MolWeight> (75)
307.388

>  <Cat> (75)
S2779

>  <Name> (75)
M344

>  <Synonyms> (75)
N/A

>  <Target> (75)
HDAC

>  <Form> (75)
free base

>  <CAS> (75)
251456-60-7

>  <URL> (75)
http://selleckchem.com/products/m344.html

$$$$
AZD2014.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (76)
577

>  <Formula> (76)
C25H30N6O3

>  <MolWeight> (76)
462.5441

>  <Cat> (76)
S2783

>  <Name> (76)
Vistusertib (AZD2014)

>  <Synonyms> (76)
N/A

>  <Target> (76)
Apoptosis related,Autophagy,mTOR

>  <Form> (76)
free base

>  <CAS> (76)
1009298-59-2

>  <URL> (76)
http://selleckchem.com/products/azd2014.html

$$$$
Sotrastaurin£¨AEB071£©.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (77)
592

>  <Formula> (77)
C25H22N6O2

>  <MolWeight> (77)
438.48118

>  <Cat> (77)
S2791

>  <Name> (77)
Sotrastaurin (AEB071)

>  <Synonyms> (77)
AEB071

>  <Target> (77)
PKC

>  <Form> (77)
free base

>  <CAS> (77)
425637-18-9

>  <URL> (77)
http://selleckchem.com/products/sotrastaurin-aeb071.html

$$$$
GDC-0068.cdx
csChFnd80/09292414072D

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Akt

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free base

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1001264-89-6

>  <URL> (78)
http://selleckchem.com/products/gdc-0068.html

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>  <Cat> (79)
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>  <Name> (79)
Dabrafenib (GSK2118436)

>  <Synonyms> (79)
GSK2118436A

>  <Target> (79)
Raf

>  <Form> (79)
free base

>  <CAS> (79)
1195765-45-7

>  <URL> (79)
http://selleckchem.com/products/dabrafenib-gsk2118436.html

$$$$
Torin 2.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (80)
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Apoptosis related,ATM/ATR,Autophagy,DNA-PK,mTOR

>  <Form> (80)
free base

>  <CAS> (80)
1223001-51-1

>  <URL> (80)
http://selleckchem.com/products/torin-2.html

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N/A

>  <Target> (81)
PI3K

>  <Form> (81)
free base

>  <CAS> (81)
1217486-61-7

>  <URL> (81)
http://selleckchem.com/products/byl719.html

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csChFnd80/09292414072D

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    9.7757    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4757    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8757    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5757    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8757    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4757    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7781    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 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
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (82)
611

>  <Formula> (82)
C15H15N3O2

>  <MolWeight> (82)
269.2985

>  <Cat> (82)
S2818

>  <Name> (82)
Tacedinaline (CI994)

>  <Synonyms> (82)
PD-123654, GOE-5549, Acetyldinaline

>  <Target> (82)
HDAC

>  <Form> (82)
free base

>  <CAS> (82)
112522-64-2

>  <URL> (82)
http://selleckchem.com/products/ci994-tacedinaline.html

$$$$
Quercetin.cdx
csChFnd80/09292414072D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 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
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 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (83)
615

>  <Formula> (83)
C15H10O7

>  <MolWeight> (83)
302.2357

>  <Cat> (83)
S2391

>  <Name> (83)
Quercetin (NSC 9221)

>  <Synonyms> (83)
Sophoretin, C.I. 75720

>  <Target> (83)
Apoptosis related,Autophagy,Mitophagy,PI3K,PKC,Sirtuin,Src

>  <Form> (83)
Free Base

>  <CAS> (83)
117-39-5

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

$$$$
AZD8330.cdx
csChFnd80/09292414072D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 12 18  2  0  0  0  0
 11 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 16 25  2  0  0  0  0
M  END
>  <Mol_ID> (84)
632

>  <Formula> (84)
C16H17FIN3O4

>  <MolWeight> (84)
461.2267532

>  <Cat> (84)
S2134

>  <Name> (84)
AZD8330

>  <Synonyms> (84)
ARRY704

>  <Target> (84)
MEK

>  <Form> (84)
free base

>  <CAS> (84)
869357-68-6

>  <URL> (84)
http://selleckchem.com/products/AZD8330(ARRY-424704).html

$$$$
raf265.cdx
csChFnd80/09292414072D

 37 41  0  0  0  0  0  0  0  0999 V2000
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   10.1671    5.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1671    6.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9547    7.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3630    8.8479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  8 17  1  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 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 15 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 28  2  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
  9 37  1  0  0  0  0
M  END
>  <Mol_ID> (85)
646

>  <Formula> (85)
C24H16F6N6O

>  <MolWeight> (85)
518.4138592

>  <Cat> (85)
S2161

>  <Name> (85)
RAF265 (CHIR-265)

>  <Synonyms> (85)
N/A

>  <Target> (85)
Apoptosis related,Raf,VEGFR

>  <Form> (85)
free base

>  <CAS> (85)
927880-90-8

>  <URL> (85)
http://selleckchem.com/products/RAF265(CHIR-265).html

$$$$

csChFnd80/09292414072D

 33 33  0  0  0  0  0  0  0  0999 V2000
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>  <Name> (86)
Givinostat (ITF2357)

>  <Synonyms> (86)
N/A

>  <Target> (86)
HDAC

>  <Form> (86)
Chloride

>  <CAS> (86)
732302-99-7

>  <URL> (86)
http://selleckchem.com/products/ITF2357(Givinostat).html

$$$$
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csChFnd80/09292414072D

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648

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N/A

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EGFR,PKA,PKC

>  <Form> (87)
free base

>  <CAS> (87)
486-35-1

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

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AG14361.cdx
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650

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C19H20N4O

>  <MolWeight> (88)
320.3883

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AG-14361

>  <Synonyms> (88)
N/A

>  <Target> (88)
PARP

>  <Form> (88)
free base

>  <CAS> (88)
328543-09-5

>  <URL> (88)
http://selleckchem.com/products/AG14361.html

$$$$
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>  <Mol_ID> (89)
667

>  <Formula> (89)
C26H20F3N7O

>  <MolWeight> (89)
503.4785096

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>  <Synonyms> (89)
N/A

>  <Target> (89)
Bcr-Abl,Ephrin receptor,Raf,Src

>  <Form> (89)
free base

>  <CAS> (89)
940310-85-0

>  <URL> (89)
http://selleckchem.com/products/NVP-BHG712.html

$$$$
PIK 293.cdx
csChFnd80/09292414072D

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>  <Name> (90)
PIK-293

>  <Synonyms> (90)
N/A

>  <Target> (90)
PI3K

>  <Form> (90)
free base

>  <CAS> (90)
900185-01-5

>  <URL> (90)
http://selleckchem.com/products/PIK-293.html

$$$$
PP442.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (91)
675

>  <Formula> (91)
C16H16N6O

>  <MolWeight> (91)
308.33784

>  <Cat> (91)
S2218

>  <Name> (91)
Torkinib (PP242)

>  <Synonyms> (91)
N/A

>  <Target> (91)
Apoptosis related,Autophagy,Mitophagy,mTOR

>  <Form> (91)
free base

>  <CAS> (91)
1092351-67-1

>  <URL> (91)
http://selleckchem.com/products/PP242.html

$$$$
SB 590885.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (92)
677

>  <Formula> (92)
C27H27N5O2

>  <MolWeight> (92)
453.53558

>  <Cat> (92)
S2220

>  <Name> (92)
SB590885

>  <Synonyms> (92)
N/A

>  <Target> (92)
Raf

>  <Form> (92)
free base

>  <CAS> (92)
405554-55-4

>  <URL> (92)
http://selleckchem.com/products/SB590885.html

$$$$
Andrographolide.cdx
csChFnd80/09292414072D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (93)
684

>  <Formula> (93)
C20H30O5

>  <MolWeight> (93)
350.4492

>  <Cat> (93)
S2261

>  <Name> (93)
Andrographolide

>  <Synonyms> (93)
N/A

>  <Target> (93)
NF-¦ÊB

>  <Form> (93)
free base

>  <CAS> (93)
5508-58-7

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

$$$$
Asiatic acid.cdx
csChFnd80/09292414072D

 38 42  0  0  0  0  0  0  0  0999 V2000
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 10 25  1  6  0  0  0
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M  END
>  <Mol_ID> (94)
688

>  <Formula> (94)
C30H48O5

>  <MolWeight> (94)
488.69912

>  <Cat> (94)
S2266

>  <Name> (94)
Asiatic Acid

>  <Synonyms> (94)
Dammarolic acid, Asiantic acid

>  <Target> (94)
p38 MAPK

>  <Form> (94)
free base

>  <CAS> (94)
464-92-6

>  <URL> (94)
http://selleckchem.com/products/Asiatic-acid.html

$$$$
Cryptotanshinone.cdx
csChFnd80/09292414072D

 22 25  0  0  0  0  0  0  0  0999 V2000
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    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> (95)
701

>  <Formula> (95)
C19H20O3

>  <MolWeight> (95)
296.3603

>  <Cat> (95)
S2285

>  <Name> (95)
Cryptotanshinone

>  <Synonyms> (95)
Tanshinone C

>  <Target> (95)
Apoptosis related,Autophagy,STAT

>  <Form> (95)
free base

>  <CAS> (95)
35825-57-1

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

$$$$
Honokiol.cdx
csChFnd80/09292414072D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.2082    0.0000 C   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
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (96)
720

>  <Formula> (96)
C18H18O2

>  <MolWeight> (96)
266.33432

>  <Cat> (96)
S2310

>  <Name> (96)
Honokiol (NSC 293100)

>  <Synonyms> (96)
N/A

>  <Target> (96)
Akt,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,HCV,MEK

>  <Form> (96)
free base

>  <CAS> (96)
35354-74-6

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

$$$$
Indole-3-carbinol.cdx
csChFnd80/09292414072D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5398    4.2218    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (97)
723

>  <Formula> (97)
C9H9NO

>  <MolWeight> (97)
147.17386

>  <Cat> (97)
S2313

>  <Name> (97)
Indole-3-carbinol

>  <Synonyms> (97)
N/A

>  <Target> (97)
NF-¦ÊB

>  <Form> (97)
free base

>  <CAS> (97)
700-06-1

>  <URL> (97)
http://selleckchem.com/products/Indole-3-carbinol.html

$$$$
Magnolol.cdx
csChFnd80/09292414072D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    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 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  3 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (98)
729

>  <Formula> (98)
C18H18O2

>  <MolWeight> (98)
266.33432

>  <Cat> (98)
S2321

>  <Name> (98)
Magnolol

>  <Synonyms> (98)
NSC 293099

>  <Target> (98)
Fungal,NF-¦ÊB

>  <Form> (98)
free base

>  <CAS> (98)
528-43-8

>  <URL> (98)
http://selleckchem.com/products/Magnolol(2,2-Bichavicol).html

$$$$
Myricetin.cdx
csChFnd80/09292414072D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  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
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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  8 14  1  0  0  0  0
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 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (99)
732

>  <Formula> (99)
C15H10O8

>  <MolWeight> (99)
318.2351

>  <Cat> (99)
S2326

>  <Name> (99)
Myricetin

>  <Synonyms> (99)
Cannabiscetin

>  <Target> (99)
MEK

>  <Form> (99)
free base

>  <CAS> (99)
529-44-2

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

$$$$
Myricitrin.cdx
csChFnd80/09292414072D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (100)
733

>  <Formula> (100)
C21H20O12

>  <MolWeight> (100)
464.3763

>  <Cat> (100)
S2327

>  <Name> (100)
Myricitrin

>  <Synonyms> (100)
Myricitrine

>  <Target> (100)
PKC

>  <Form> (100)
free base

>  <CAS> (100)
17912-87-7

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

$$$$
Parthenolide.cdx
csChFnd80/09292414072D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (101)
744

>  <Formula> (101)
C15H20O3

>  <MolWeight> (101)
248.3175

>  <Cat> (101)
S2341

>  <Name> (101)
(-)-Parthenolide

>  <Synonyms> (101)
N/A

>  <Target> (101)
HDAC,MDM2/MDMX,NF-¦ÊB,p53

>  <Form> (101)
free base

>  <CAS> (101)
20554-84-1

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

$$$$
Dihydromyricetin.cdx
csChFnd80/09292414072D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (102)
754

>  <Formula> (102)
C15H12O8

>  <MolWeight> (102)
320.25098

>  <Cat> (102)
S2399

>  <Name> (102)
Dihydromyricetin

>  <Synonyms> (102)
Ampeloptin

>  <Target> (102)
GABA Receptor,ROS

>  <Form> (102)
free base

>  <CAS> (102)
27200-12-0

>  <URL> (102)
http://selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

$$$$
Chrysophanic acid.cdx
csChFnd80/09292414072D

 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
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M  END
>  <Mol_ID> (103)
758

>  <Formula> (103)
C15H10O4

>  <MolWeight> (103)
254.2375

>  <Cat> (103)
S2406

>  <Name> (103)
Chrysophanic Acid

>  <Synonyms> (103)
Chrysophanol

>  <Target> (103)
EGFR,mTOR

>  <Form> (103)
free base

>  <CAS> (103)
481-74-3

>  <URL> (103)
http://selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
GSK2126458.cdx
csChFnd80/09292414072D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (104)
797

>  <Formula> (104)
C25H17F2N5O3S

>  <MolWeight> (104)
505.4959864

>  <Cat> (104)
S2658

>  <Name> (104)
Omipalisib (GSK2126458)

>  <Synonyms> (104)
GSK458

>  <Target> (104)
Autophagy,mTOR,PI3K

>  <Form> (104)
free base

>  <CAS> (104)
1086062-66-9

>  <URL> (104)
http://selleckchem.com/products/gsk2126458.html

$$$$
CAL-1011.cdx
csChFnd80/09292414072D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (105)
827

>  <Formula> (105)
C22H18FN7O

>  <MolWeight> (105)
415.4230232

>  <Cat> (105)
S2226

>  <Name> (105)
Idelalisib

>  <Synonyms> (105)
CAL-101, GS-1101

>  <Target> (105)
Autophagy,PI3K

>  <Form> (105)
free base

>  <CAS> (105)
870281-82-6

>  <URL> (105)
http://selleckchem.com/products/CAL-101.html

$$$$
PIK-294.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (106)
829

>  <Formula> (106)
C28H23N7O2

>  <MolWeight> (106)
489.52792

>  <Cat> (106)
S2227

>  <Name> (106)
PIK-294

>  <Synonyms> (106)
N/A

>  <Target> (106)
PI3K

>  <Form> (106)
free base

>  <CAS> (106)
900185-02-6

>  <URL> (106)
http://selleckchem.com/products/PIK-294.html

$$$$
Neohesperidin.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (107)
832

>  <Formula> (107)
C28H34O15

>  <MolWeight> (107)
610.56056

>  <Cat> (107)
S2332

>  <Name> (107)
Neohesperidin

>  <Synonyms> (107)
NSC 31048

>  <Target> (107)
ROS

>  <Form> (107)
free base

>  <CAS> (107)
13241-33-3

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

$$$$
Phenformin hydrochloride.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (108)
835

>  <Formula> (108)
C10H16ClN5

>  <MolWeight> (108)
241.72054

>  <Cat> (108)
S2542

>  <Name> (108)
Phenformin (NSC-756501) HCl

>  <Synonyms> (108)
Phenethylbiguanide HCl

>  <Target> (108)
AMPK

>  <Form> (108)
Hydrochloride

>  <CAS> (108)
834-28-6

>  <URL> (108)
http://selleckchem.com/products/Phenformin-hydrochloride.html

$$$$
OSI-027.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (109)
840

>  <Formula> (109)
C21H22N6O3

>  <MolWeight> (109)
406.43778

>  <Cat> (109)
S2624

>  <Name> (109)
OSI-027

>  <Synonyms> (109)
ASP4786, CERC 006, AEVI-006

>  <Target> (109)
Autophagy,mTOR

>  <Form> (109)
free base

>  <CAS> (109)
936890-98-1

>  <URL> (109)
http://selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (110)
841

>  <Formula> (110)
C17H17N7

>  <MolWeight> (110)
319.36378

>  <Cat> (110)
S2622

>  <Name> (110)
PP121

>  <Synonyms> (110)
N/A

>  <Target> (110)
Bcr-Abl,DNA-PK,mTOR,PDGFR,Src,VEGFR

>  <Form> (110)
free base

>  <CAS> (110)
1092788-83-4

>  <URL> (110)
http://selleckchem.com/products/PP121.html

$$$$
BKM-120.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (111)
850

>  <Formula> (111)
C18H21F3N6O2

>  <MolWeight> (111)
410.3935496

>  <Cat> (111)
S2247

>  <Name> (111)
Buparlisib (BKM120)

>  <Synonyms> (111)
NVP-BKM120

>  <Target> (111)
Apoptosis related,PI3K

>  <Form> (111)
free base

>  <CAS> (111)
944396-07-0

>  <URL> (111)
http://selleckchem.com/products/BKM-120.html

$$$$
TAK733.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (112)
855

>  <Formula> (112)
C17H15F2IN4O4

>  <MolWeight> (112)
504.2266764

>  <Cat> (112)
S2617

>  <Name> (112)
TAK-733

>  <Synonyms> (112)
N/A

>  <Target> (112)
MEK

>  <Form> (112)
free base

>  <CAS> (112)
1035555-63-5

>  <URL> (112)
http://selleckchem.com/products/tak-733.html

$$$$
CCT128930.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (113)
857

>  <Formula> (113)
C18H20ClN5

>  <MolWeight> (113)
341.8379

>  <Cat> (113)
S2635

>  <Name> (113)
CCT128930

>  <Synonyms> (113)
N/A

>  <Target> (113)
Akt,Apoptosis related,Autophagy

>  <Form> (113)
free base

>  <CAS> (113)
885499-61-6

>  <URL> (113)
http://selleckchem.com/products/cct128930.html

$$$$
A66.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (119)
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>  <Formula> (119)
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>  <MolWeight> (119)
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>  <Cat> (119)
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>  <Synonyms> (119)
N/A

>  <Target> (119)
mTOR

>  <Form> (119)
free base

>  <CAS> (119)
1062159-35-6

>  <URL> (119)
http://selleckchem.com/products/way-600.html

$$$$
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csChFnd80/09292414072D

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>  <Mol_ID> (120)
878

>  <Formula> (120)
C27H33N7O4

>  <MolWeight> (120)
519.59542

>  <Cat> (120)
S2661

>  <Name> (120)
WYE-125132 (WYE-132)

>  <Synonyms> (120)
N/A

>  <Target> (120)
mTOR

>  <Form> (120)
free base

>  <CAS> (120)
1144068-46-1

>  <URL> (120)
http://selleckchem.com/products/wye-125132.html

$$$$
TWS119.cdx
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>  <Mol_ID> (121)
884

>  <Formula> (121)
C18H14N4O2

>  <MolWeight> (121)
318.32936

>  <Cat> (121)
S1590

>  <Name> (121)
TWS119

>  <Synonyms> (121)
N/A

>  <Target> (121)
Autophagy,GSK-3

>  <Form> (121)
free base

>  <CAS> (121)
601514-19-6

>  <URL> (121)
http://selleckchem.com/products/TWS119.html

$$$$
937174-76-0.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (122)
886

>  <Formula> (122)
C21H27N7O3

>  <MolWeight> (122)
425.48418

>  <Cat> (122)
S1113

>  <Name> (122)
GSK690693

>  <Synonyms> (122)
N/A

>  <Target> (122)
Akt,AMPK,Autophagy,DAPK,PKA,PKC,STING,ULK

>  <Form> (122)
free base

>  <CAS> (122)
937174-76-0

>  <URL> (122)
http://selleckchem.com/products/GSK690693.html

$$$$
Curcumin.cdx
csChFnd80/09292414072D

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>  <MolWeight> (123)
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>  <Cat> (123)
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Curcumin

>  <Synonyms> (123)
Diferuloylmethane, Natural Yellow 3, Turmeric yellow

>  <Target> (123)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Ferroptosis,HCV,HDAC,Histone Acetyltransferase,HIV,Influenza Virus,NF-¦ÊB,Nrf2

>  <Form> (123)
free base

>  <CAS> (123)
458-37-7

>  <URL> (123)
http://selleckchem.com/products/Curcumin.html

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>  <MolWeight> (124)
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ZM 336372

>  <Synonyms> (124)
Zinc00581684

>  <Target> (124)
Raf

>  <Form> (124)
free base

>  <CAS> (124)
208260-29-1

>  <URL> (124)
http://selleckchem.com/products/zm-336372.html

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915

>  <Formula> (125)
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>  <MolWeight> (125)
377.42146

>  <Cat> (125)
S2699

>  <Name> (125)
CH5132799

>  <Synonyms> (125)
MEN1611, PA799

>  <Target> (125)
PI3K

>  <Form> (125)
free base

>  <CAS> (125)
1007207-67-1

>  <URL> (125)
http://selleckchem.com/products/ch5132799.html

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>  <Mol_ID> (126)
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>  <Cat> (126)
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>  <Name> (126)
Apitolisib (GDC-0980)

>  <Synonyms> (126)
RG7422, GNE 390

>  <Target> (126)
Apoptosis related,Autophagy,mTOR,PI3K

>  <Form> (126)
free base

>  <CAS> (126)
1032754-93-0

>  <URL> (126)
http://selleckchem.com/products/GDC-0980-RG7422.html

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>  <Mol_ID> (127)
925

>  <Formula> (127)
C22H19BrF2N2O3

>  <MolWeight> (127)
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>  <Cat> (127)
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>  <Name> (127)
PH-797804

>  <Synonyms> (127)
N/A

>  <Target> (127)
p38 MAPK

>  <Form> (127)
free base

>  <CAS> (127)
586379-66-0

>  <URL> (127)
http://selleckchem.com/products/ph-797804.html

$$$$
SB415286.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (128)
927

>  <Formula> (128)
C16H10ClN3O5

>  <MolWeight> (128)
359.7207

>  <Cat> (128)
S2729

>  <Name> (128)
SB415286

>  <Synonyms> (128)
N/A

>  <Target> (128)
Apoptosis related,GSK-3

>  <Form> (128)
free base

>  <CAS> (128)
264218-23-7

>  <URL> (128)
http://selleckchem.com/products/sb-415286.html

$$$$
INK 128.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (129)
928

>  <Formula> (129)
C15H15N7O

>  <MolWeight> (129)
309.3259

>  <Cat> (129)
S2811

>  <Name> (129)
Sapanisertib (MLN0128)

>  <Synonyms> (129)
INK 128,TAK-228

>  <Target> (129)
mTOR

>  <Form> (129)
free base

>  <CAS> (129)
1224844-38-5

>  <URL> (129)
http://selleckchem.com/products/ink128.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (130)
938

>  <Formula> (130)
C20H22ClN3O2

>  <MolWeight> (130)
371.86058

>  <Cat> (130)
S2627

>  <Name> (130)
Tubastatin A HCl

>  <Synonyms> (130)
TSA HCl

>  <Target> (130)
HDAC

>  <Form> (130)
Hydrochloride

>  <CAS> (130)
1310693-92-5

>  <URL> (130)
http://selleckchem.com/products/tubastatin-a-hcl.html

$$$$
PF-04691502.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (131)
940

>  <Formula> (131)
C22H27N5O4

>  <MolWeight> (131)
425.48088

>  <Cat> (131)
S2743

>  <Name> (131)
PF-04691502

>  <Synonyms> (131)
PF4691502

>  <Target> (131)
Akt,Apoptosis related,mTOR,PI3K

>  <Form> (131)
free base

>  <CAS> (131)
1013101-36-4

>  <URL> (131)
http://selleckchem.com/products/pf-04691502.html

$$$$
Idebenone.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (132)
987

>  <Formula> (132)
C19H30O5

>  <MolWeight> (132)
338.4385

>  <Cat> (132)
S2605

>  <Name> (132)
Idebenone

>  <Synonyms> (132)
CV-2619

>  <Target> (132)
ROS

>  <Form> (132)
free base

>  <CAS> (132)
58186-27-9

>  <URL> (132)
http://selleckchem.com/products/idebenone.html

$$$$
Sodium salicylate.cdx
csChFnd80/09292414072D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (133)
1016

>  <Formula> (133)
C7H6NaO3

>  <MolWeight> (133)
161.11051

>  <Cat> (133)
S3137

>  <Name> (133)
Sodium salicylate

>  <Synonyms> (133)
2-Hydroxybenzoic acid Sodium salt,Salicylic acid Sodium salt

>  <Target> (133)
NF-¦ÊB

>  <Form> (133)
sodium salt

>  <CAS> (133)
54-21-7

>  <URL> (133)
http://selleckchem.com/products/sodium-salicylate.html

$$$$
AZD 6482.cdx
csChFnd80/09292414072D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (134)
1041

>  <Formula> (134)
C22H24N4O4

>  <MolWeight> (134)
408.45036

>  <Cat> (134)
S1462

>  <Name> (134)
AZD6482

>  <Synonyms> (134)
KIN-193

>  <Target> (134)
PI3K

>  <Form> (134)
free base

>  <CAS> (134)
1173900-33-8

>  <URL> (134)
http://selleckchem.com/products/azd6482.html

$$$$
Tideglusib.cdx
csChFnd80/09292414072D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (135)
1047

>  <Formula> (135)
C19H14N2O2S

>  <MolWeight> (135)
334.39166

>  <Cat> (135)
S2823

>  <Name> (135)
Tideglusib (NP031112)

>  <Synonyms> (135)
NP-12

>  <Target> (135)
COVID-19,GSK-3

>  <Form> (135)
free base

>  <CAS> (135)
865854-05-3

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

$$$$
Schisandrin B.cdx
csChFnd80/09292414072D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (136)
1086

>  <Formula> (136)
C23H28O6

>  <MolWeight> (136)
400.46482

>  <Cat> (136)
S3600

>  <Name> (136)
Schisandrin B (Sch B)

>  <Synonyms> (136)
N/A

>  <Target> (136)
ATM/ATR,P-gp

>  <Form> (136)
free base

>  <CAS> (136)
61281-37-6

>  <URL> (136)
http://selleckchem.com/products/schisandrin-b.html

$$$$
Triptolide.cdx
csChFnd80/09292414072D

 27 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (137)
1102

>  <Formula> (137)
C20H24O6

>  <MolWeight> (137)
360.40096

>  <Cat> (137)
S3604

>  <Name> (137)
Triptolide (PG490)

>  <Synonyms> (137)
NSC 163062

>  <Target> (137)
ADC Cytotoxin,Apoptosis related,HSP (HSP90),MDM2/MDMX,NF-¦ÊB

>  <Form> (137)
free base

>  <CAS> (137)
38748-32-2

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

$$$$
BI-D1870.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (138)
1108

>  <Formula> (138)
C19H23F2N5O2

>  <MolWeight> (138)
391.4150264

>  <Cat> (138)
S2843

>  <Name> (138)
BI-D1870

>  <Synonyms> (138)
N/A

>  <Target> (138)
Autophagy,ROS,S6 Kinase

>  <Form> (138)
free base

>  <CAS> (138)
501437-28-1

>  <URL> (138)
http://selleckchem.com/products/bi-d1870.html

$$$$
Go 6983.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (139)
1133

>  <Formula> (139)
C26H26N4O3

>  <MolWeight> (139)
442.50964

>  <Cat> (139)
S2911

>  <Name> (139)
Go 6983

>  <Synonyms> (139)
GOE 6983, G? 6983

>  <Target> (139)
PKC

>  <Form> (139)
free base

>  <CAS> (139)
133053-19-7

>  <URL> (139)
http://selleckchem.com/products/go-6983.html

$$$$
IOX2.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (140)
1137

>  <Formula> (140)
C19H16N2O5

>  <MolWeight> (140)
352.34074

>  <Cat> (140)
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>  <Name> (140)
IOX2

>  <Synonyms> (140)
JICL38

>  <Target> (140)
HIF

>  <Form> (140)
free base

>  <CAS> (140)
931398-72-0

>  <URL> (140)
http://selleckchem.com/products/iox2.html

$$$$
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>  <Formula> (141)
C24H21N3OS

>  <MolWeight> (141)
399.50804

>  <Cat> (141)
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>  <Name> (141)
TAK-715

>  <Synonyms> (141)
N/A

>  <Target> (141)
p38 MAPK

>  <Form> (141)
free base

>  <CAS> (141)
303162-79-0

>  <URL> (141)
http://selleckchem.com/products/tak-715.html

$$$$
TDZD-8.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (142)
1145

>  <Formula> (142)
C10H10N2O2S

>  <MolWeight> (142)
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>  <Cat> (142)
S2926

>  <Name> (142)
TDZD-8

>  <Synonyms> (142)
NP 01139

>  <Target> (142)
COVID-19,GSK-3

>  <Form> (142)
free base

>  <CAS> (142)
327036-89-5

>  <URL> (142)
http://selleckchem.com/products/tdzd-8.html

$$$$
H-89.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (143)
1150

>  <Formula> (143)
C20H22BrCl2N3O2S

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519.28258

>  <Cat> (143)
S1582

>  <Name> (143)
H 89 2HCl

>  <Synonyms> (143)
N/A

>  <Target> (143)
Autophagy,PKA,PKG,S6 Kinase

>  <Form> (143)
Dihydrochloride

>  <CAS> (143)
130964-39-5

>  <URL> (143)
http://selleckchem.com/products/H-89-dihydrochloride.html

$$$$
Tiopronin.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (144)
1174

>  <Formula> (144)
C5H9NO3S

>  <MolWeight> (144)
163.19486

>  <Cat> (144)
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>  <Name> (144)
Tiopronin

>  <Synonyms> (144)
N/A

>  <Target> (144)
ROS

>  <Form> (144)
free base

>  <CAS> (144)
1953-02-2

>  <URL> (144)
http://selleckchem.com/products/tiopronin-thiola.html

$$$$
aicar.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (145)
1233

>  <Formula> (145)
C9H14N4O5

>  <MolWeight> (145)
258.23126

>  <Cat> (145)
S1802

>  <Name> (145)
AICAR (Acadesine)

>  <Synonyms> (145)
NSC105823, AICA Riboside

>  <Target> (145)
AMPK,Mitophagy

>  <Form> (145)
free base

>  <CAS> (145)
2627-69-2

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

$$$$
PF-04708671.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (146)
1237

>  <Formula> (146)
C19H21F3N6

>  <MolWeight> (146)
390.4054496

>  <Cat> (146)
S2163

>  <Name> (146)
PF-4708671

>  <Synonyms> (146)
N/A

>  <Target> (146)
Autophagy,S6 Kinase

>  <Form> (146)
free base

>  <CAS> (146)
1255517-76-0

>  <URL> (146)
http://selleckchem.com/products/pf-4708671.html

$$$$
JNK-IN-8.cdx
csChFnd80/09292414072D

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   19.6000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8000    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1000    6.0622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.0622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  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
 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
 10 15  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 22  1  0  0  0  0
 17 22  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
 23 28  2  0  0  0  0
 19 24  1  0  0  0  0
 16 17  1  0  0  0  0
 13 16  1  0  0  0  0
 12 29  1  0  0  0  0
  9 10  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 31 35  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 34 36  1  0  0  0  0
 30 31  1  0  0  0  0
  4 30  1  0  0  0  0
M  END
>  <Mol_ID> (147)
1256

>  <Formula> (147)
C29H29N7O2

>  <MolWeight> (147)
507.58626

>  <Cat> (147)
S4901

>  <Name> (147)
JNK-IN-8

>  <Synonyms> (147)
JNK Inhibitor XVI

>  <Target> (147)
JNK

>  <Form> (147)
free base

>  <CAS> (147)
1410880-22-6

>  <URL> (147)
http://selleckchem.com/products/jnk-in-8.html

$$$$
QNZ.cdx
csChFnd80/09292414072D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    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
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    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
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    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
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 22 27  2  0  0  0  0
 21 22  1  0  0  0  0
 18 21  1  0  0  0  0
 14 15  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (148)
1258

>  <Formula> (148)
C22H20N4O

>  <MolWeight> (148)
356.4204

>  <Cat> (148)
S4902

>  <Name> (148)
QNZ (EVP4593)

>  <Synonyms> (148)
N/A

>  <Target> (148)
NF-¦ÊB,TNF-alpha

>  <Form> (148)
free base

>  <CAS> (148)
545380-34-5

>  <URL> (148)
http://selleckchem.com/products/qnz-evp4593.html

$$$$
Aminosalicylate sodium.cdx
csChFnd80/09292414072D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.2103    2.0976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4227    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4227    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8434    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4227    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2640    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6955    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (149)
1280

>  <Formula> (149)
C7H6NNaO3

>  <MolWeight> (149)
175.11721

>  <Cat> (149)
S4073

>  <Name> (149)
Sodium 4-Aminosalicylate

>  <Synonyms> (149)
N/A

>  <Target> (149)
NF-¦ÊB

>  <Form> (149)
Sodium Salt

>  <CAS> (149)
6018-19-5

>  <URL> (149)
http://selleckchem.com/products/aminosalicylate-sodium.html

$$$$
sodium phenylbutyrate.cdx
csChFnd80/09292414072D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    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
    0.0000    0.7000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  4  6  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (150)
1307

>  <Formula> (150)
C10H11NaO2

>  <MolWeight> (150)
186.18291

>  <Cat> (150)
S4125

>  <Name> (150)
Sodium Phenylbutyrate

>  <Synonyms> (150)
4-PBA, 4-Phenylbutyric acid, NaPB

>  <Target> (150)
HDAC

>  <Form> (150)
Sodium Salt

>  <CAS> (150)
1716-12-7

>  <URL> (150)
http://selleckchem.com/products/sodium-phenylbutyrate.html

$$$$
nifuroxazide.cdx
csChFnd80/09292414072D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4032    3.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032    2.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    1.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    4.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    1.3875    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9550    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4204    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6503    1.6993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0454    1.6993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7430    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1382    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0454    4.1158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8382    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2382    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9382    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2382    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8382    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3333    2.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  4  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
 12 14  2  0  0  0  0
 13 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 13  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (151)
1342

>  <Formula> (151)
C12H9N3O5

>  <MolWeight> (151)
275.21696

>  <Cat> (151)
S4182

>  <Name> (151)
Nifuroxazide

>  <Synonyms> (151)
N/A

>  <Target> (151)
STAT

>  <Form> (151)
free base

>  <CAS> (151)
965-52-6

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

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/09292414072D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.4207    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.1947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    4.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    3.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    4.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7325    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1325    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8300    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2252    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1325    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9228    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (152)
1353

>  <Formula> (152)
C16H19N3O4S

>  <MolWeight> (152)
349.40476

>  <Cat> (152)
S2693

>  <Name> (152)
Resminostat

>  <Synonyms> (152)
RAS2410

>  <Target> (152)
HDAC

>  <Form> (152)
free base

>  <CAS> (152)
864814-88-0

>  <URL> (152)
http://selleckchem.com/products/resminostat-ras2410.html

$$$$
VX-745.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (153)
1433

>  <Formula> (153)
C19H9Cl2F2N3OS

>  <MolWeight> (153)
436.2620664

>  <Cat> (153)
S1458

>  <Name> (153)
Neflamapimod (VX-745)

>  <Synonyms> (153)
N/A

>  <Target> (153)
p38 MAPK

>  <Form> (153)
free base

>  <CAS> (153)
209410-46-8

>  <URL> (153)
http://selleckchem.com/products/VX-745.html

$$$$
untitled.cdx
csChFnd80/09292414072D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (154)
1434

>  <Formula> (154)
C13H16N6O4

>  <MolWeight> (154)
320.30394

>  <Cat> (154)
S1117

>  <Name> (154)
Triciribine (NSC 154020)

>  <Synonyms> (154)
VD-0002, vqd-002, API-2, TCN

>  <Target> (154)
Akt,DNA/RNA Synthesis,HIV

>  <Form> (154)
free base

>  <CAS> (154)
35943-35-2

>  <URL> (154)
http://selleckchem.com/products/Triciribine.html

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/09292414072D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 30 15  1  0  0  0  0
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M  END
>  <Mol_ID> (155)
1475

>  <Formula> (155)
C19H20F3IN2O5S

>  <MolWeight> (155)
572.3371796

>  <Cat> (155)
S1089

>  <Name> (155)
Refametinib (RDEA119)

>  <Synonyms> (155)
Bay 86-9766

>  <Target> (155)
MEK

>  <Form> (155)
free base

>  <CAS> (155)
923032-37-5

>  <URL> (155)
http://selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
Dicoumarol.cdx
csChFnd80/09292414072D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (156)
1490

>  <Formula> (156)
C19H12O6

>  <MolWeight> (156)
336.29498

>  <Cat> (156)
S4299

>  <Name> (156)
Dicoumarol

>  <Synonyms> (156)
Dicumarol

>  <Target> (156)
PDHK

>  <Form> (156)
free base

>  <CAS> (156)
66-76-2

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

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/09292414072D

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (157)
1502

>  <Formula> (157)
C44H69NO12

>  <MolWeight> (157)
804.01816

>  <Cat> (157)
S5003

>  <Name> (157)
Tacrolimus (FK506)

>  <Synonyms> (157)
FK506, FR900506, Fujimycin, Prograf

>  <Target> (157)
Autophagy,FKBP,phosphatase

>  <Form> (157)
free base

>  <CAS> (157)
104987-11-3

>  <URL> (157)
http://selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (158)
1505

>  <Formula> (158)
C56H87NO16

>  <MolWeight> (158)
1030.28708

>  <Cat> (158)
S1044

>  <Name> (158)
Temsirolimus (CCI-779)

>  <Synonyms> (158)
NSC 683864,CCI-779

>  <Target> (158)
Apoptosis related,Autophagy,mTOR

>  <Form> (158)
free base

>  <CAS> (158)
162635-04-3

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

$$$$
PF-2341066.cdx
csChFnd80/09292414072D

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    0.3355    7.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    2.8833    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
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 21 24  1  0  0  0  0
 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 24  1  0  0  0  0
  9 30  1  1  0  0  0
 19  1  1  0  0  0  0
M  END
>  <Mol_ID> (159)
1517

>  <Formula> (159)
C21H22Cl2FN5O

>  <MolWeight> (159)
450.3366832

>  <Cat> (159)
S1068

>  <Name> (159)
Crizotinib (PF-02341066)

>  <Synonyms> (159)
PF-02341066

>  <Target> (159)
ALK,Autophagy,c-Met,ROS1

>  <Form> (159)
free base

>  <CAS> (159)
877399-52-5

>  <URL> (159)
http://selleckchem.com/products/PF-2341066.html

$$$$
S1096-JNJ26481585.cdx
csChFnd80/09292414072D

 31 32  0  0  0  0  0  0  0  0999 V2000
    8.4322    8.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422    7.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8046    5.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1569    5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1468    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7845    7.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7924    4.0626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1752    4.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3942    5.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1569    2.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6416    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8541    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0665    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2789    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2789    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4914    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7038    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7038    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4914    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9162    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9162    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.1287    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3411    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3411    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1287    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.5535    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5535    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7660    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.9784    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7561   23.4830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   23.4830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  7 10  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 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 17 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  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (160)
1526

>  <Formula> (160)
C21H28Cl2N6O2

>  <MolWeight> (160)
467.39202

>  <Cat> (160)
S1096

>  <Name> (160)
Quisinostat (JNJ-26481585) 2HCl

>  <Synonyms> (160)
N/A

>  <Target> (160)
HDAC

>  <Form> (160)
Dihydrochloride

>  <CAS> (160)
875320-31-3

>  <URL> (160)
http://selleckchem.com/products/JNJ-26481585.html

$$$$
6-Benzylaminopurine.cdx
csChFnd80/09292414072D

 17 19  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
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    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
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    2.5326    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
  5  7  1  0  0  0  0
  7  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
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (161)
1538

>  <Formula> (161)
C12H11N5

>  <MolWeight> (161)
225.24924

>  <Cat> (161)
S4511

>  <Name> (161)
6-Benzylaminopurine

>  <Synonyms> (161)
N/A

>  <Target> (161)
ROS

>  <Form> (161)
free base

>  <CAS> (161)
1214-39-7

>  <URL> (161)
http://selleckchem.com/products/6-benzylaminopurine.html

$$$$
S4603 Gallic acid.cdx
csChFnd80/09292414072D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (162)
1607

>  <Formula> (162)
C7H6O5

>  <MolWeight> (162)
170.11954

>  <Cat> (162)
S4603

>  <Name> (162)
Gallic acid

>  <Synonyms> (162)
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid

>  <Target> (162)
ROS

>  <Form> (162)
free base

>  <CAS> (162)
149-91-7

>  <URL> (162)
http://selleckchem.com/products/gallic-acid.html

$$$$
S4715 Benzamide.cdx
csChFnd80/09292414072D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.6999    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
M  END
>  <Mol_ID> (163)
1666

>  <Formula> (163)
C7H7NO

>  <MolWeight> (163)
121.13658

>  <Cat> (163)
S4715

>  <Name> (163)
Benzamide

>  <Target> (163)
PARP

>  <Form> (163)
free base

>  <CAS> (163)
55-21-0

>  <URL> (163)
http://selleckchem.com/products/benzamide.html

$$$$
S4710 Picolinamide.cdx
csChFnd80/09292414072D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (164)
1675

>  <Formula> (164)
C6H6N2O

>  <MolWeight> (164)
122.12464

>  <Cat> (164)
S4710

>  <Name> (164)
Picolinamide

>  <Synonyms> (164)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (164)
PARP

>  <Form> (164)
free base

>  <CAS> (164)
1452-77-3

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

$$$$
S4723 (-)Epicatechin.cdx
csChFnd80/09292414072D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (165)
1676

>  <Formula> (165)
C15H14O6

>  <MolWeight> (165)
290.26806

>  <Cat> (165)
S4723

>  <Name> (165)
(-)Epicatechin

>  <Synonyms> (165)
L-Epicatechin, (-)-Epicatechol

>  <Target> (165)
Antioxidant

>  <Form> (165)
free base

>  <CAS> (165)
490-46-0

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

$$$$
MK4827.cdx
csChFnd80/09292414072D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1695    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8695    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    0.1876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9695    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8695    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (166)
1680

>  <Formula> (166)
C19H20N4O

>  <MolWeight> (166)
320.3883

>  <Cat> (166)
S2741

>  <Name> (166)
Niraparib (MK-4827)

>  <Target> (166)
Apoptosis related,PARP

>  <Form> (166)
Free Base

>  <CAS> (166)
1038915-60-4

>  <URL> (166)
http://selleckchem.com/products/mk-4827.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/09292414072D

 70 77  0  0  0  0  0  0  0  0999 V2000
   11.8879   14.3792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   15.0858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8879   13.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1895   13.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0965   15.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4433   14.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   16.4799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   12.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3940   12.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8879   17.1864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.9817    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   13.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2725    8.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5725    7.7434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 65  1  6  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
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  7 14  1  0  0  0  0
  7 15  1  1  0  0  0
  8 12  1  0  0  0  0
 16  9  1  1  0  0  0
 11 14  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  6  0  0  0
 13 19  1  0  0  0  0
 14 20  1  6  0  0  0
 16 21  1  0  0  0  0
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 19 23  1  0  0  0  0
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 45 48  1  0  0  0  0
 46 49  1  0  0  0  0
 46 50  1  6  0  0  0
 48 51  1  0  0  0  0
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 56 58  1  0  0  0  0
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 57 60  1  0  0  0  0
 58 61  1  0  0  0  0
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 61 64  1  1  0  0  0
 39 68  1  6  0  0  0
 68 69  1  0  0  0  0
 52 70  1  0  0  0  0
M  END
>  <Mol_ID> (167)
1721

>  <Formula> (167)
C48H78O19

>  <MolWeight> (167)
959.12152

>  <Cat> (167)
S3616

>  <Name> (167)
Asiaticoside

>  <Synonyms> (167)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (167)
ROS

>  <Form> (167)
free base

>  <CAS> (167)
16830-15-2

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

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/09292414072D

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.1810    2.1435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019    0.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012    2.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.0618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0256    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8488    4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    4.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (168)
1723

>  <Formula> (168)
C5H12N2S2

>  <MolWeight> (168)
164.29218

>  <Cat> (168)
S3633

>  <Name> (168)
Pyrrolidinedithiocarbamate ammonium

>  <Synonyms> (168)
APDC, PDTC, Pyrrolidine dithiocarbamic acid ammonium salt

>  <Target> (168)
NF-¦ÊB

>  <Form> (168)
ammonium salt

>  <CAS> (168)
5108-96-3

>  <URL> (168)
http://selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/09292414072D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  7 13  1  0  0  0  0
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  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (169)
1744

>  <Formula> (169)
C11H8O3

>  <MolWeight> (169)
188.17942

>  <Cat> (169)
S3661

>  <Name> (169)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (169)
N/A

>  <Target> (169)
PKC

>  <Form> (169)
free base

>  <CAS> (169)
2348-82-5

>  <URL> (169)
http://selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3942 Cardamonin.cdx
csChFnd80/09292414072D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    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  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (170)
1831

>  <Formula> (170)
C16H14O4

>  <MolWeight> (170)
270.27996

>  <Cat> (170)
S3867

>  <Name> (170)
(E)-Cardamonin

>  <Synonyms> (170)
Alpinetin chalcone, cardamomin

>  <Target> (170)
NF-¦ÊB,TRP Channel

>  <Form> (170)
free base

>  <CAS> (170)
19309-14-9

>  <URL> (170)
http://selleckchem.com/products/e-cardamoni.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/09292414072D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2615    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    4.8534    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8657    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2615    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8657    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    2.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9660    7.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1018    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2136    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
  8 10  1  1  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 18  3  2  0  0  0  0
 19 12  2  0  0  0  0
 20 15  2  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
  7 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (171)
1842

>  <Formula> (171)
C19H20O5

>  <MolWeight> (171)
328.3591

>  <Cat> (171)
S3819

>  <Name> (171)
Decursinol angelate

>  <Synonyms> (171)
N/A

>  <Target> (171)
PKC

>  <Form> (171)
free base

>  <CAS> (171)
130848-06-5

>  <URL> (171)
http://selleckchem.com/products/decursinol-angelate.html

$$$$
S3838 Carnosic acid.cdx
csChFnd80/09292414072D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0439    4.2039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8345    3.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2654    3.4901    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0439    5.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2389    5.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8345    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5972    4.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2654    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4712    4.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2654    6.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6712    6.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9064    4.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0439    1.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    3.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5972    6.0211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4712    5.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    4.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3594    2.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2176    4.1920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2176    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2096    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4117    2.7724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 14  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 17  1  0  0  0  0
 13 20  2  0  0  0  0
 15 21  1  0  0  0  0
 15 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (172)
1856

>  <Formula> (172)
C20H28O4

>  <MolWeight> (172)
332.43392

>  <Cat> (172)
S3838

>  <Name> (172)
Carnosic acid

>  <Synonyms> (172)
Salvin

>  <Target> (172)
ROS

>  <Form> (172)
free base

>  <CAS> (172)
3650-09-7

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

$$$$
S3840 Baohuoside I.cdx
csChFnd80/09292414072D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.7000    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
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    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
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 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
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  3 17  1  0  0  0  0
  7 18  2  0  0  0  0
  8 19  1  0  0  0  0
  9 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
 19 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  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 29 34  1  1  0  0  0
 32 35  1  1  0  0  0
 30 36  1  1  0  0  0
 31 37  1  6  0  0  0
M  END
>  <Mol_ID> (173)
1857

>  <Formula> (173)
C27H30O10

>  <MolWeight> (173)
514.5211

>  <Cat> (173)
S3840

>  <Name> (173)
Baohuoside I

>  <Synonyms> (173)
Icariside II

>  <Target> (173)
ROS

>  <CAS> (173)
113558-15-9

>  <URL> (173)
http://selleckchem.com/products/baohuoside-i.html

$$$$
S3885 Pyrogallol.cdx
csChFnd80/09292414072D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4213    1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    3.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    3.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (174)
1902

>  <Formula> (174)
C6H6O3

>  <MolWeight> (174)
126.11004

>  <Cat> (174)
S3885

>  <Name> (174)
Pyrogallol

>  <Synonyms> (174)
1,2,3-trihydroxybenzene

>  <Target> (174)
ROS

>  <Form> (174)
free base

>  <CAS> (174)
87-66-1

>  <URL> (174)
http://selleckchem.com/products/pyrogallol.html

$$$$
S3874 Curcumenol.cdx
csChFnd80/09292414072D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.7647    2.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6693    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0963    2.5261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6968    5.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    4.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183    3.6623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3070    2.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9212    3.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3311    4.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151    6.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3389    3.6623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  2 18  1  1  0  0  0
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  9 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (175)
1909

>  <Formula> (175)
C15H22O2

>  <MolWeight> (175)
234.33398

>  <Cat> (175)
S3874

>  <Name> (175)
Curcumenol

>  <Synonyms> (175)
N/A

>  <Target> (175)
NF-¦ÊB,P450 (e.g. CYP17)

>  <Form> (175)
free base

>  <CAS> (175)
19431-84-6

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

$$$$
Torin 1.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (176)
1954

>  <Formula> (176)
C35H28F3N5O2

>  <MolWeight> (176)
607.6243296

>  <Cat> (176)
S2827

>  <Name> (176)
Torin 1

>  <Synonyms> (176)
N/A

>  <Target> (176)
Autophagy,mTOR

>  <Form> (176)
Free Base

>  <CAS> (176)
1222998-36-8

>  <URL> (176)
http://selleckchem.com/products/torin-1.html

$$$$
TG 100713.cdx
csChFnd80/09292414072D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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 10 17  1  0  0  0  0
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  3 13  1  0  0  0  0
  1 19  1  0  0  0  0
M  END
>  <Mol_ID> (177)
1959

>  <Formula> (177)
C12H10N6O

>  <MolWeight> (177)
254.2474

>  <Cat> (177)
S2870

>  <Name> (177)
TG100713

>  <Synonyms> (177)
N/A

>  <Target> (177)
PI3K

>  <Form> (177)
Free Base

>  <CAS> (177)
925705-73-3

>  <URL> (177)
http://selleckchem.com/products/tg-100713.html

$$$$
Scriptaid (GCK 1026).cdx
csChFnd80/09292414072D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (178)
1964

>  <Formula> (178)
C18H18N2O4

>  <MolWeight> (178)
326.34652

>  <Cat> (178)
S8043

>  <Name> (178)
Scriptaid

>  <Synonyms> (178)
GCK 1026

>  <Target> (178)
HDAC

>  <Form> (178)
free base

>  <CAS> (178)
287383-59-9

>  <URL> (178)
http://selleckchem.com/products/scriptaid.html

$$$$
CGK 733.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (179)
1976

>  <Formula> (179)
C23H18Cl3FN4O3S

>  <MolWeight> (179)
555.8364232

>  <Cat> (179)
S7136

>  <Name> (179)
CGK 733

>  <Synonyms> (179)
N/A

>  <Target> (179)
ATM/ATR

>  <Form> (179)
free base

>  <CAS> (179)
905973-89-9

>  <URL> (179)
http://selleckchem.com/products/cgk-733.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/09292414072D

 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
    7.2746    7.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    9.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4867    8.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    7.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    8.2866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    9.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    7.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241   10.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3365    8.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6258    1.4433    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.0258    1.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6258    2.8433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6258    0.0433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2258    1.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
   11.6932    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
M  END
>  <Mol_ID> (180)
1986

>  <Formula> (180)
C18H32ClN3O8P2

>  <MolWeight> (180)
515.862502

>  <Cat> (180)
S4157

>  <Name> (180)
Chloroquine diphosphate

>  <Synonyms> (180)
N/A

>  <Target> (180)
Anti-infection,ATM/ATR,Autophagy,COVID-19,TLR

>  <Form> (180)
diphosphate

>  <CAS> (180)
50-63-5

>  <URL> (180)
http://selleckchem.com/products/chloroquine-phosphate.html

$$$$
Sodium valproate.cdx
csChFnd80/09292414072D

 11 10  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
    1.2124    3.5000    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
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  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
  5  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (181)
2205

>  <Formula> (181)
C8H15NaO2

>  <MolWeight> (181)
166.19327

>  <Cat> (181)
S1168

>  <Name> (181)
Valproic Acid (NSC 93819) sodium salt

>  <Synonyms> (181)
Sodium valproate,NSC 93819,2-Propylpentanoic Acid

>  <Target> (181)
Autophagy,GABA Receptor,HDAC,Mitophagy,Notch,PGC-1¦Á

>  <Form> (181)
Sodium salt

>  <CAS> (181)
1069-66-5

>  <URL> (181)
http://selleckchem.com/products/Sodium-valproate.html

$$$$
GW 5074.cdx
csChFnd80/09292414072D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    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
    1.2082    0.7000    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
    4.9646    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7604    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1930    5.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5624    5.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4992    4.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0665    3.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6971    3.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8638    5.0218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0001    2.3634    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.9935    7.0990    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  8 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
 12 13  1  4  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
 17 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (182)
2217

>  <Formula> (182)
C15H8Br2INO2

>  <MolWeight> (182)
520.94199

>  <Cat> (182)
S2872

>  <Name> (182)
GW5074

>  <Synonyms> (182)
N/A

>  <Target> (182)
Apoptosis related,Raf

>  <Form> (182)
free base

>  <CAS> (182)
220904-83-6

>  <URL> (182)
http://selleckchem.com/products/gw5074.html

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/09292414072D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (183)
2225

>  <Formula> (183)
C15H14O6

>  <MolWeight> (183)
290.26806

>  <Cat> (183)
S4722

>  <Name> (183)
(+)-Catechin

>  <Synonyms> (183)
Cianidanol, Catechinic acid, Catechuic acid, Catechin

>  <Target> (183)
Antioxidant

>  <Form> (183)
free base

>  <CAS> (183)
154-23-4

>  <URL> (183)
http://selleckchem.com/products/catechin.html

$$$$
untitled.cdx
csChFnd80/09292414072D

 27 26  0  0  0  0  0  0  0  0999 V2000
   23.5990    4.5249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   22.8990    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4990    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8114    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3865    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2990    5.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7990    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   17.9990    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 11 12  1  0  0  0  0
  8 11  1  0  0  0  0
  7  8  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (184)
2234

>  <Formula> (184)
C21H46NO4P

>  <MolWeight> (184)
407.568001

>  <Cat> (184)
S3056

>  <Name> (184)
Miltefosine

>  <Synonyms> (184)
Hexadecylphosphocholine

>  <Target> (184)
Akt

>  <Form> (184)
free base

>  <CAS> (184)
58066-85-6

>  <URL> (184)
http://selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
NU7026.cdx
csChFnd80/09292414072D

 21 24  0  0  0  0  0  0  0  0999 V2000
    4.8637    4.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6478    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0788    4.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625    2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782    2.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8643    6.2946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4315    2.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8618    0.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    2.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    0.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8648    9.0856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6560    6.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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154447-35-5

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ATM/ATR

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Free Base

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1232410-49-9

>  <URL> (186)
http://selleckchem.com/products/ve-821.html

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N/A

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PI3K

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free base

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1372540-25-4

>  <URL> (187)
http://selleckchem.com/products/gsk2636771.html

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free base

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1316214-52-4

>  <URL> (188)
http://selleckchem.com/products/rocilinostat-acy-1215.html

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RG-7603

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mTOR

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free base

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1207360-89-1

>  <URL> (194)
http://selleckchem.com/products/gdc-0349.html

$$$$
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2307

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C22H22FN3O3

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S7029

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AZD2461

>  <Synonyms> (195)
N/A

>  <Target> (195)
PARP

>  <Form> (195)
free base

>  <CAS> (195)
1174043-16-3

>  <URL> (195)
http://selleckchem.com/products/azd2461.html

$$$$
untitled.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (196)
2312

>  <Formula> (196)
C21H16N6O2S2

>  <MolWeight> (196)
448.52074

>  <Cat> (196)
S1118

>  <Name> (196)
XL147 analogue

>  <Synonyms> (196)
SAR245408

>  <Target> (196)
Apoptosis related,PI3K

>  <Form> (196)
Free Base

>  <CAS> (196)
956958-53-5

>  <URL> (196)
http://selleckchem.com/products/XL147.html

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (197)
2316

>  <Formula> (197)
C16H15BrClN5O4S

>  <MolWeight> (197)
488.7434

>  <Cat> (197)
S1205

>  <Name> (197)
PIK-75 HCl

>  <Synonyms> (197)
N/A

>  <Target> (197)
DNA-PK,PI3K

>  <Form> (197)
Hydrochloride

>  <CAS> (197)
372196-77-5

>  <URL> (197)
http://selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
S1037.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (198)
2319

>  <Formula> (198)
C25H52NO4P

>  <MolWeight> (198)
461.658441

>  <Cat> (198)
S1037

>  <Name> (198)
Perifosine (KRX-0401)

>  <Synonyms> (198)
NSC639966, D21266

>  <Target> (198)
Akt

>  <Form> (198)
free base

>  <CAS> (198)
157716-52-4

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

$$$$
bms-707035.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (199)
2331

>  <Formula> (199)
C18H11N3O2S

>  <MolWeight> (199)
333.36384

>  <Cat> (199)
S1360

>  <Name> (199)
GSK1059615

>  <Synonyms> (199)
N/A

>  <Target> (199)
mTOR,PI3K

>  <Form> (199)
Free Base

>  <CAS> (199)
958852-01-2

>  <URL> (199)
http://selleckchem.com/products/GSK1059615.html

$$$$

csChFnd80/09292414072D

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M  END
>  <Mol_ID> (200)
2339

>  <Formula> (200)
C25H33FN6O3S

>  <MolWeight> (200)
516.6313232

>  <Cat> (200)
S1494

>  <Name> (200)
Ralimetinib (LY2228820) dimesylate

>  <Synonyms> (200)
N/A

>  <Target> (200)
p38 MAPK

>  <Form> (200)
dimesylate

>  <CAS> (200)
862507-23-1

>  <URL> (200)
http://selleckchem.com/products/LY2228820.html

$$$$
Sodium butyrate.cdx
csChFnd80/09292414072D

  7  5  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (201)
2359

>  <Formula> (201)
C4H7NaO2

>  <MolWeight> (201)
110.08695

>  <Cat> (201)
S1999

>  <Name> (201)
Sodium butyrate

>  <Synonyms> (201)
NaB, Butanoic acid sodium salt

>  <Target> (201)
Apoptosis related,Autophagy,HDAC

>  <Form> (201)
Sodium Salt

>  <CAS> (201)
156-54-7

>  <URL> (201)
http://selleckchem.com/products/Sodium-butyrate.html

$$$$
untitled.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (202)
2379

>  <Formula> (202)
C19H12F4N4O2

>  <MolWeight> (202)
404.3177928

>  <Cat> (202)
S6005

>  <Name> (202)
VX-702

>  <Synonyms> (202)
N/A

>  <Target> (202)
p38 MAPK

>  <Form> (202)
free base

>  <CAS> (202)
745833-23-2

>  <URL> (202)
http://selleckchem.com/products/VX-702.html

$$$$
PK-1587.cdx
csChFnd80/09292414072D

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1197160-78-3

>  <URL> (203)
http://selleckchem.com/products/pki587.html

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NU7441 (KU-57788)

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CRISPR/Cas9,DNA-PK,mTOR,PI3K

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free base

>  <CAS> (204)
503468-95-9

>  <URL> (204)
http://selleckchem.com/products/nu7441.html

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Aurora Kinase,MEK

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free base

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1207293-36-4

>  <URL> (205)
http://selleckchem.com/products/bi-847325.html

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1168091-68-6

>  <URL> (206)
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PI3K

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free base

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1627494-13-6

>  <URL> (207)
http://selleckchem.com/products/azd8186.html

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Taselisib (GDC 0032)

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>  <Target> (208)
PI3K

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free base

>  <CAS> (208)
1282512-48-4

>  <URL> (208)
http://selleckchem.com/products/gdc-0032.html

$$$$
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2464

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C25H32O13

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Oleuropein

>  <Synonyms> (209)
N/A

>  <Target> (209)
Anti-infection,Apoptosis related,Aromatase,PPAR

>  <Form> (209)
free base

>  <CAS> (209)
32619-42-4

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

$$$$
SB239063.cdx
csChFnd80/09292414072D

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2474

>  <Formula> (210)
C20H21FN4O2

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>  <Cat> (210)
S7741

>  <Name> (210)
SB239063

>  <Synonyms> (210)
N/A

>  <Target> (210)
p38 MAPK

>  <Form> (210)
free base

>  <CAS> (210)
193551-21-2

>  <URL> (210)
http://selleckchem.com/products/sb239063.html

$$$$
AZD6738.cdx
csChFnd80/09292414072D

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M  END
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2475

>  <Formula> (211)
C20H24N6O2S

>  <MolWeight> (211)
412.50856

>  <Cat> (211)
S7693

>  <Name> (211)
Ceralasertib (AZD6738)

>  <Synonyms> (211)
N/A

>  <Target> (211)
ATM/ATR

>  <Form> (211)
free base

>  <CAS> (211)
1352226-88-0

>  <URL> (211)
http://selleckchem.com/products/azd6738.html

$$$$
ONC201.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (212)
2482

>  <Formula> (212)
C24H26N4O

>  <MolWeight> (212)
386.48944

>  <Cat> (212)
S7963

>  <Name> (212)
TIC10 (ONC201)

>  <Synonyms> (212)
ONC201

>  <Target> (212)
Akt,Apoptosis related,ERK,TNF-alpha

>  <Form> (212)
free base

>  <CAS> (212)
1616632-77-9

>  <URL> (212)
http://selleckchem.com/products/tic-10.html

$$$$
Akti-1.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (213)
2483

>  <Formula> (213)
C34H29N7O

>  <MolWeight> (213)
551.64036

>  <Cat> (213)
S7776

>  <Name> (213)
Akti-1/2

>  <Synonyms> (213)
Akt Inhibitor VIII

>  <Target> (213)
Akt,Apoptosis related

>  <Form> (213)
free base

>  <CAS> (213)
612847-09-3

>  <URL> (213)
http://selleckchem.com/products/akti-1-2.html

$$$$
BIO-acetoxime (GSK-3 Inhibitor X).cdx
csChFnd80/09292414072D

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>  <Mol_ID> (214)
2484

>  <Formula> (214)
C18H12BrN3O3

>  <MolWeight> (214)
398.21018

>  <Cat> (214)
S7915

>  <Name> (214)
BIO-acetoxime

>  <Synonyms> (214)
GSK-3 Inhibitor X

>  <Target> (214)
GSK-3

>  <Form> (214)
free base

>  <CAS> (214)
667463-85-6

>  <URL> (214)
http://selleckchem.com/products/bio-acetoxime.html

$$$$
AMG319.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (215)
2487

>  <Formula> (215)
C21H16FN7

>  <MolWeight> (215)
385.3970432

>  <Cat> (215)
S7813

>  <Name> (215)
AMG319

>  <Synonyms> (215)
N/A

>  <Target> (215)
PI3K

>  <Form> (215)
free base

>  <CAS> (215)
1608125-21-8

>  <URL> (215)
http://selleckchem.com/products/amg319.html

$$$$
BAY 1895344.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (216)
2492

>  <Formula> (216)
C20H22ClN7O

>  <MolWeight> (216)
411.88798

>  <Cat> (216)
S8666

>  <Name> (216)
Elimusertib (BAY-1895344) hydrochloride

>  <Synonyms> (216)
BAY-1895344 HCl

>  <Target> (216)
ATM/ATR

>  <Form> (216)
hydrochloride

>  <CAS> (216)
1876467-74-1(free base)

>  <URL> (216)
https://www.selleckchem.com/products/bay-1895344-hcl.html

$$$$
CBL0137(CBL-0137).cdx
csChFnd80/09292414072D

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 13  1  1  0  0  0  0
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M  END
>  <Mol_ID> (217)
2493

>  <Formula> (217)
C21H25ClN2O2

>  <MolWeight> (217)
372.8884

>  <Cat> (217)
S8483

>  <Name> (217)
CBL0137 HCl

>  <Synonyms> (217)
CBLC137 HCl, Curaxin 137 HCl

>  <Target> (217)
NF-¦ÊB,p53

>  <Form> (217)
HCl

>  <CAS> (217)
1197397-89-9

>  <URL> (217)
http://selleckchem.com/products/cbl0137-cbl-0137.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/09292414072D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.1078    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (218)
2499

>  <Formula> (218)
C8H16O2

>  <MolWeight> (218)
144.21144

>  <Cat> (218)
S3944

>  <Name> (218)
Valproic acid (VPA)

>  <Synonyms> (218)
2-Propylvaleric Acid, Valproate

>  <Target> (218)
Autophagy,HDAC,Mitophagy,Notch,PGC-1¦Á

>  <Form> (218)
free base

>  <CAS> (218)
99-66-1

>  <URL> (218)
http://selleckchem.com/products/valproic-acid.html

$$$$
WT161.cdx
csChFnd80/09292414072D

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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (219)
2525

>  <Formula> (219)
C27H30N4O3

>  <MolWeight> (219)
458.5521

>  <Cat> (219)
S8495

>  <Name> (219)
WT161

>  <Synonyms> (219)
N/A

>  <Target> (219)
Apoptosis related,HDAC

>  <Form> (219)
free base

>  <CAS> (219)
1206731-57-8

>  <URL> (219)
http://selleckchem.com/products/wt161.html

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/09292414072D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
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M  END
>  <Mol_ID> (220)
2545

>  <Formula> (220)
C17H15BrF2N4O3

>  <MolWeight> (220)
441.2268064

>  <Cat> (220)
S7007

>  <Name> (220)
Binimetinib (MEK162)

>  <Synonyms> (220)
ARRY-162,ARRY-438162

>  <Target> (220)
Apoptosis related,Autophagy,MEK

>  <Form> (220)
free base

>  <CAS> (220)
606143-89-9

>  <URL> (220)
http://selleckchem.com/products/mek162.html

$$$$
GSK2334470.cdx
csChFnd80/09292414072D

 34 38  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    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
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 33 28  1  0  0  0  0
 20 34  1  1  0  0  0
M  END
>  <Mol_ID> (221)
2548

>  <Formula> (221)
C25H34N8O

>  <MolWeight> (221)
462.59046

>  <Cat> (221)
S7087

>  <Name> (221)
GSK2334470

>  <Synonyms> (221)
N/A

>  <Target> (221)
PDPK1

>  <Form> (221)
free base

>  <CAS> (221)
1227911-45-6

>  <URL> (221)
http://selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/09292414072D

 29 33  0  0  0  0  0  0  0  0999 V2000
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    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0310    4.4674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    5.6000    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
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  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 13  8  1  0  0  0  0
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 27 22  1  0  0  0  0
 23 28  1  0  0  0  0
 17 29  2  0  0  0  0
M  END
>  <Mol_ID> (222)
2550

>  <Formula> (222)
C24H26N4O

>  <MolWeight> (222)
386.48944

>  <Cat> (222)
S7127

>  <Name> (222)
TIC10 Analogue

>  <Target> (222)
Akt

>  <Form> (222)
free base

>  <CAS> (222)
41276-02-2

>  <URL> (222)
http://selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/09292414072D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1641    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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M  END
>  <Mol_ID> (223)
2552

>  <Formula> (223)
C16H10BrN3O2

>  <MolWeight> (223)
356.1735

>  <Cat> (223)
S7198

>  <Name> (223)
BIO

>  <Synonyms> (223)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime, 6-Bromoindirubin-3'-oxime, MLS 2052

>  <Target> (223)
Apoptosis related,CDK,GSK-3,JAK

>  <Form> (223)
free base

>  <CAS> (223)
667463-62-9

>  <URL> (223)
http://selleckchem.com/products/bio.html

$$$$
RGFP966.cdx
csChFnd80/09292414072D

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   16.1968    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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HDAC

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1396841-57-8

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free base

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486424-20-8

>  <URL> (225)
http://selleckchem.com/products/azd2858.html

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Bisindolylmaleimide IX (Ro 31-8220 Mesylate)

>  <Synonyms> (226)
Bisindolylmaleimide IX Mesylate

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PKC

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>  <CAS> (226)
138489-18-6

>  <URL> (226)
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$$$$
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free base

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1159824-67-5

>  <URL> (227)
http://selleckchem.com/products/czc24832.html

$$$$
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M  END
>  <Mol_ID> (228)
2576

>  <Formula> (228)
C24H27Cl2N5O

>  <MolWeight> (228)
472.41008

>  <Cat> (228)
S7306

>  <Name> (228)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (228)
BML-275 2HCl,Compound C 2HCl

>  <Target> (228)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (228)
Dihydrochloride

>  <CAS> (228)
1219168-18-9

>  <URL> (228)
http://selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
Skepinone-L.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (229)
2580

>  <Formula> (229)
C24H21F2NO4

>  <MolWeight> (229)
425.4246464

>  <Cat> (229)
S7214

>  <Name> (229)
Skepinone-L

>  <Synonyms> (229)
CBS3830

>  <Target> (229)
p38 MAPK

>  <Form> (229)
free base

>  <CAS> (229)
1221485-83-1

>  <URL> (229)
http://selleckchem.com/products/skepinone-l.html

$$$$
JSH-23.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (230)
2651

>  <Formula> (230)
C16H20N2

>  <MolWeight> (230)
240.3434

>  <Cat> (230)
S7351

>  <Name> (230)
JSH-23

>  <Synonyms> (230)
N/A

>  <Target> (230)
NF-¦ÊB

>  <Form> (230)
free base

>  <CAS> (230)
749886-87-1

>  <URL> (230)
http://selleckchem.com/products/jsh-23.html

$$$$
Sorafenib.cdx
csChFnd80/09292414072D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (231)
2652

>  <Formula> (231)
C21H16ClF3N4O3

>  <MolWeight> (231)
464.8249496

>  <Cat> (231)
S7397

>  <Name> (231)
Sorafenib (BAY 43-9006)

>  <Synonyms> (231)
NSC-724772,BAY 43-9006

>  <Target> (231)
Apoptosis related,Autophagy,Ferroptosis,FLT3,PDGFR,Raf,VEGFR

>  <Form> (231)
Free Base

>  <CAS> (231)
284461-73-0

>  <URL> (231)
http://selleckchem.com/products/sorafenib.html

$$$$
RG2833 (RGFP109).cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (232)
2653

>  <Formula> (232)
C20H25N3O2

>  <MolWeight> (232)
339.4314

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S7292

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RG2833 (RGFP109)

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N/A

>  <Target> (232)
HDAC

>  <Form> (232)
free base

>  <CAS> (232)
1215493-56-3

>  <URL> (232)
http://selleckchem.com/products/rg2833-rgfp109.html

$$$$
WZ4003.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (233)
2657

>  <Formula> (233)
C25H29ClN6O3

>  <MolWeight> (233)
496.98916

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S7317

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WZ4003

>  <Synonyms> (233)
N/A

>  <Target> (233)
AMPK

>  <Form> (233)
free base

>  <CAS> (233)
1214265-58-3

>  <URL> (233)
http://selleckchem.com/products/wz4003.html

$$$$
Caffeic acid phenethyl ester(CAPE).cdx
csChFnd80/09292414072D

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>  <Mol_ID> (234)
2661

>  <Formula> (234)
C17H16O4

>  <MolWeight> (234)
284.30654

>  <Cat> (234)
S7414

>  <Name> (234)
Caffeic Acid Phenethyl Ester

>  <Synonyms> (234)
CAPE, Phenylethyl Caffeate

>  <Target> (234)
NF-¦ÊB

>  <Form> (234)
free base

>  <CAS> (234)
104594-70-9

>  <URL> (234)
http://selleckchem.com/products/caffeic-acid-phenethyl-ester.html

$$$$
AZ20.cdx
csChFnd80/09292414072D

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2667

>  <Formula> (235)
C21H24N4O3S

>  <MolWeight> (235)
412.50526

>  <Cat> (235)
S7050

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AZ20

>  <Synonyms> (235)
N/A

>  <Target> (235)
ATM/ATR

>  <Form> (235)
free base

>  <CAS> (235)
1233339-22-4

>  <URL> (235)
http://selleckchem.com/products/az20.html

$$$$
VE-822.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (236)
2672

>  <Formula> (236)
C24H25N5O3S

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Berzosertib (VE-822)

>  <Synonyms> (236)
VX970, M6620

>  <Target> (236)
ATM/ATR

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free base

>  <CAS> (236)
1232416-25-9

>  <URL> (236)
http://selleckchem.com/products/ve-822.html

$$$$
LM-3228 AR-A014418.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (237)
2673

>  <Formula> (237)
C12H12N4O4S

>  <MolWeight> (237)
308.31308

>  <Cat> (237)
S7435

>  <Name> (237)
AR-A014418

>  <Synonyms> (237)
GSK-3¦Â Inhibitor VIII

>  <Target> (237)
GSK-3

>  <Form> (237)
free base

>  <CAS> (237)
487021-52-3

>  <URL> (237)
http://selleckchem.com/products/A014418.html

$$$$
LM-3229 ME 0328.cdx
csChFnd80/09292414072D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (238)
2684

>  <Formula> (238)
C19H19N3O2

>  <MolWeight> (238)
321.37306

>  <Cat> (238)
S7438

>  <Name> (238)
ME0328

>  <Synonyms> (238)
N/A

>  <Target> (238)
PARP

>  <Form> (238)
free base

>  <CAS> (238)
1445251-22-8

>  <URL> (238)
http://selleckchem.com/products/me0328.html

$$$$
1-Azakenpaullone.cdx
csChFnd80/09292414072D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 12  5  1  0  0  0  0
  5  6  2  0  0  0  0
 14  6  1  0  0  0  0
  7  8  1  0  0  0  0
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 18  8  1  0  0  0  0
  9 10  1  0  0  0  0
 13  9  2  0  0  0  0
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 15 16  1  0  0  0  0
 18 20  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (239)
2698

>  <Formula> (239)
C15H10BrN3O

>  <MolWeight> (239)
328.1634

>  <Cat> (239)
S7193

>  <Name> (239)
1-Azakenpaullone

>  <Synonyms> (239)
1-Akp

>  <Target> (239)
GSK-3

>  <Form> (239)
free base

>  <CAS> (239)
676596-65-9

>  <URL> (239)
http://selleckchem.com/products/1-azakenpaullone.html

$$$$
LM-3267.cdx
csChFnd80/09292414072D

 25 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (240)
2705

>  <Formula> (240)
C19H23N3O3

>  <MolWeight> (240)
341.40422

>  <Cat> (240)
S7473

>  <Name> (240)
Nexturastat A

>  <Synonyms> (240)
N/A

>  <Target> (240)
HDAC

>  <Form> (240)
free base

>  <CAS> (240)
1403783-31-2

>  <URL> (240)
http://selleckchem.com/products/nexturastat-a.html

$$$$
CGP 57380.cdx
csChFnd80/09292414072D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (241)
2716

>  <Formula> (241)
C11H9FN6

>  <MolWeight> (241)
244.2277632

>  <Cat> (241)
S7421

>  <Name> (241)
CGP 57380

>  <Synonyms> (241)
N/A

>  <Target> (241)
Apoptosis related,MNK,Wnt/beta-catenin

>  <Form> (241)
free base

>  <CAS> (241)
522629-08-9

>  <URL> (241)
http://selleckchem.com/products/cgp57380.html

$$$$
Dimethyloxalylglycine (DMOG).cdx
csChFnd80/09292414072D

 12 11  0  0  0  0  0  0  0  0999 V2000
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    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  1  5  1  0  0  0  0
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  3  7  2  0  0  0  0
  6  8  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (242)
2718

>  <Formula> (242)
C6H9NO5

>  <MolWeight> (242)
175.13936

>  <Cat> (242)
S7483

>  <Name> (242)
DMOG

>  <Synonyms> (242)
Dimethyloxalylglycine

>  <Target> (242)
Autophagy,HIF,Hydroxylase

>  <Form> (242)
free base

>  <CAS> (242)
89464-63-1

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

$$$$
HS-173.cdx
csChFnd80/09292414072D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (243)
C21H18N4O4S

>  <MolWeight> (243)
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>  <Cat> (243)
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>  <Name> (243)
HS-173

>  <Synonyms> (243)
N/A

>  <Target> (243)
PI3K

>  <Form> (243)
free base

>  <CAS> (243)
1276110-06-5

>  <URL> (243)
http://selleckchem.com/products/hs-173.html

$$$$
SC75741.cdx
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>  <Mol_ID> (244)
2743

>  <Formula> (244)
C29H23N7O2S2

>  <MolWeight> (244)
565.66862

>  <Cat> (244)
S7273

>  <Name> (244)
SC75741

>  <Synonyms> (244)
N/A

>  <Target> (244)
Influenza Virus,NF-¦ÊB

>  <Form> (244)
free base

>  <CAS> (244)
913822-46-5

>  <URL> (244)
http://selleckchem.com/products/sc75741.html

$$$$
XMD8-92.cdx
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>  <Mol_ID> (245)
2757

>  <Formula> (245)
C26H30N6O3

>  <MolWeight> (245)
474.5548

>  <Cat> (245)
S7525

>  <Name> (245)
XMD8-92

>  <Synonyms> (245)
N/A

>  <Target> (245)
Epigenetic Reader Domain,ERK

>  <Form> (245)
free base

>  <CAS> (245)
1234480-50-2

>  <URL> (245)
http://selleckchem.com/products/xmd8-92.html

$$$$
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HDAC

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free base

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1314890-29-3

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N/A

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ERK

>  <Form> (247)
free base

>  <CAS> (247)
865362-74-9

>  <URL> (247)
http://selleckchem.com/products/fr180204.html

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>  <Mol_ID> (248)
2778

>  <Formula> (248)
C28H30F2N2O2

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>  <Name> (248)
HO-3867

>  <Synonyms> (248)
N/A

>  <Target> (248)
Apoptosis related,STAT

>  <Form> (248)
free base

>  <CAS> (248)
1172133-28-6

>  <URL> (248)
http://selleckchem.com/products/ho-3867.html

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N/A

>  <Target> (249)
Ferroptosis,HIF,Mitochondrial Metabolism,ROS

>  <Form> (249)
Free Base

>  <CAS> (249)
1227158-85-1

>  <URL> (249)
http://selleckchem.com/products/bay-87-2243.html

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FKBP,mTOR

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221877-54-9

>  <URL> (251)
http://selleckchem.com/products/zotarolimus-abt-578.html

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 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (253)
2804

>  <Formula> (253)
C15H22N2O3

>  <MolWeight> (253)
278.34678

>  <Cat> (253)
S7595

>  <Name> (253)
Santacruzamate A (CAY10683)

>  <Synonyms> (253)
N/A

>  <Target> (253)
HDAC

>  <Form> (253)
free base

>  <CAS> (253)
1477949-42-0

>  <URL> (253)
http://selleckchem.com/products/santacruzamate-a-cay10683.html

$$$$
Tasquinimod .cdx
csChFnd80/09292414072D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
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  6 13  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (254)
2820

>  <Formula> (254)
C20H17F3N2O4

>  <MolWeight> (254)
406.3551896

>  <Cat> (254)
S7617

>  <Name> (254)
Tasquinimod

>  <Synonyms> (254)
ABR-215050

>  <Target> (254)
HDAC

>  <Form> (254)
free base

>  <CAS> (254)
254964-60-8

>  <URL> (254)
http://selleckchem.com/products/tasquinimod.html

$$$$
Splitomicin.cdx
csChFnd80/09292414072D

 15 17  0  0  0  0  0  0  0  0999 V2000
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (255)
2827

>  <Formula> (255)
C13H10O2

>  <MolWeight> (255)
198.2173

>  <Cat> (255)
S7593

>  <Name> (255)
Splitomicin

>  <Synonyms> (255)
N/A

>  <Target> (255)
HDAC

>  <Form> (255)
free base

>  <CAS> (255)
5690-03-9

>  <URL> (255)
http://selleckchem.com/products/splitomicin.html

$$$$
URMC-099.cdx
csChFnd80/09292414072D

 32 37  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (256)
2829

>  <Formula> (256)
C27H27N5

>  <MolWeight> (256)
421.53678

>  <Cat> (256)
S7343

>  <Name> (256)
URMC-099

>  <Synonyms> (256)
N/A

>  <Target> (256)
Autophagy,Bcr-Abl,LRRK2,Mixed Lineage Kinase

>  <Form> (256)
free base

>  <CAS> (256)
1229582-33-5

>  <URL> (256)
http://selleckchem.com/products/urmc-099.html

$$$$
VS-5584 (SB2343).cdx
csChFnd80/09292414072D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (257)
2841

>  <Formula> (257)
C17H22N8O

>  <MolWeight> (257)
354.40958

>  <Cat> (257)
S7016

>  <Name> (257)
VS-5584 (SB2343)

>  <Synonyms> (257)
N/A

>  <Target> (257)
PI3K

>  <Form> (257)
free base

>  <CAS> (257)
1246560-33-7

>  <URL> (257)
http://selleckchem.com/products/vs-5584-sb2343.html

$$$$
GF 109203X(G 6850).cdx
csChFnd80/09292414072D

 31 35  0  0  0  0  0  0  0  0999 V2000
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    6.6028    8.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0099   10.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3365   10.6415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  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  2  0  0  0  0
 28 24  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 17 30  1  0  0  0  0
 10 29  2  0  0  0  0
M  END
>  <Mol_ID> (258)
2842

>  <Formula> (258)
C25H24N4O2

>  <MolWeight> (258)
412.48366

>  <Cat> (258)
S7208

>  <Name> (258)
Bisindolylmaleimide I (GF109203X)

>  <Synonyms> (258)
GO 6850

>  <Target> (258)
PKC

>  <Form> (258)
free base

>  <CAS> (258)
133052-90-1

>  <URL> (258)
http://selleckchem.com/products/gf109203x.html

$$$$
PJ34.cdx
csChFnd80/09292414072D

 23 24  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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    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
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8142    4.2576    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  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 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
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 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (259)
2844

>  <Formula> (259)
C17H18ClN3O2

>  <MolWeight> (259)
331.79672

>  <Cat> (259)
S7300

>  <Name> (259)
PJ34 HCl

>  <Synonyms> (259)
N/A

>  <Target> (259)
PARP

>  <Form> (259)
Hydrochloride

>  <CAS> (259)
344458-15-7

>  <URL> (259)
http://selleckchem.com/products/pj34-hcl.html

$$$$
DTP3.cdx
csChFnd80/09292414072D

 38 39  0  0  0  0  0  0  0  0999 V2000
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    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    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  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
  2 13  2  0  0  0  0
  4 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
  5 22  2  0  0  0  0
  7 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
  8 30  2  0  0  0  0
 10 31  1  6  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
 11 38  2  0  0  0  0
M  END
>  <Mol_ID> (260)
2859

>  <Formula> (260)
C26H35N7O5

>  <MolWeight> (260)
525.6

>  <Cat> (260)
S7637

>  <Name> (260)
DTP3

>  <Synonyms> (260)
N/A

>  <Target> (260)
DNA/RNA Synthesis,JNK,NF-¦ÊB

>  <Form> (260)
free base

>  <CAS> (260)
1809784-29-9

>  <URL> (260)
http://selleckchem.com/products/dtp3.html

$$$$
PX-478 2HCl.cdx
csChFnd80/09292414072D

 22 20  0  0  0  0  0  0  0  0999 V2000
   25.5043    4.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5043    3.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7168    2.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9292    3.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9292    4.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7168    5.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2919    2.8328    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   29.1417    5.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3541    4.9328    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   31.5665    5.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7790    4.9328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5665    7.0328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3541    3.5328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1444    3.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4890    2.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2651    5.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1176    5.8315    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   25.4811    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6896    0.0000    0.0000 Cl  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  1  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7 20  1  0  0  0  0
M  END
>  <Mol_ID> (261)
2870

>  <Formula> (261)
C13H20Cl4N2O3

>  <MolWeight> (261)
394.1215

>  <Cat> (261)
S7612

>  <Name> (261)
PX-478 2HCl

>  <Synonyms> (261)
N/A

>  <Target> (261)
Apoptosis related,HIF

>  <Form> (261)
dihydrochloride

>  <CAS> (261)
685898-44-6

>  <URL> (261)
http://selleckchem.com/products/px-478-2hcl.html

$$$$
CAY10603.cdx
csChFnd80/09292414072D

 32 33  0  0  0  0  0  0  0  0999 V2000
    5.5570    1.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4559    2.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3622    3.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.5813    2.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7170    3.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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HDAC

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1045792-66-2

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http://selleckchem.com/products/cay10603.html

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Piperlongumine.cdx
csChFnd80/09292414072D

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free base

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20069-09-4

>  <URL> (263)
http://selleckchem.com/products/piperlongumine.html

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AT13148.cdx
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AT13148

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N/A

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Akt,PKA,ROCK,S6 Kinase

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free base

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1056901-62-2

>  <URL> (264)
http://selleckchem.com/products/at13148.html

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LMK-235.cdx
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HDAC

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free base

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1418033-25-6

>  <URL> (265)
http://selleckchem.com/products/lmk-235.html

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HPOB.cdx
csChFnd80/09292414072D

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1429651-50-2

>  <URL> (266)
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HDAC

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free base

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910462-43-0

>  <URL> (268)
http://selleckchem.com/products/4sc-202.html

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PI3K

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free base

>  <CAS> (269)
955977-50-1

>  <URL> (269)
http://selleckchem.com/products/pi-3065.html

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>  <URL> (270)
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603288-22-8

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PI3K

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free base

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1394076-92-6

>  <URL> (276)
http://selleckchem.com/products/gne-317.html

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NU1025.cdx
csChFnd80/09292414072D

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NU1025

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PARP

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free base

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90417-38-2

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http://selleckchem.com/products/nu1025.html

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Anisomycin.cdx
csChFnd80/09292414072D

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Flagecidin, Wuningmeisu C

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Apoptosis related,Autophagy,JNK

>  <Form> (278)
free base

>  <CAS> (278)
22862-76-6

>  <URL> (278)
http://selleckchem.com/products/anisomycin.html

$$$$
MHY1485.cdx
csChFnd80/09292414072D

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MHY1485

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Autophagy,mTOR

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free base

>  <CAS> (279)
326914-06-1

>  <URL> (279)
http://selleckchem.com/products/mhy1485.html

$$$$
ERK5-IN-1.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (280)
2958

>  <Formula> (280)
C36H46N8O3

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>  <Cat> (280)
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ERK5-IN-1

>  <Synonyms> (280)
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>  <Target> (280)
ERK

>  <Form> (280)
free base

>  <CAS> (280)
1435488-37-1

>  <URL> (280)
http://selleckchem.com/products/erk5-in-1.html

$$$$
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>  <Mol_ID> (281)
2964

>  <Formula> (281)
C25H25ClN6O4S

>  <MolWeight> (281)
541.0218

>  <Cat> (281)
S7645

>  <Name> (281)
Pilaralisib (XL147)

>  <Synonyms> (281)
N/A

>  <Target> (281)
PI3K

>  <Form> (281)
free base

>  <CAS> (281)
934526-89-3

>  <URL> (281)
http://selleckchem.com/products/pilaralisib-xl147.html

$$$$
ARRY-614.cdx
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>  <Mol_ID> (282)
2968

>  <Formula> (282)
C31H33FN6O3

>  <MolWeight> (282)
556.6305232

>  <Cat> (282)
S7799

>  <Name> (282)
Pexmetinib (ARRY-614)

>  <Synonyms> (282)
N/A

>  <Target> (282)
p38 MAPK,Tie-2

>  <Form> (282)
free base

>  <CAS> (282)
945614-12-0

>  <URL> (282)
http://selleckchem.com/products/pexmetinib-arry-614.html

$$$$
LY3009120.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (283)
2970

>  <Formula> (283)
C23H29FN6O

>  <MolWeight> (283)
424.5143632

>  <Cat> (283)
S7842

>  <Name> (283)
LY3009120

>  <Synonyms> (283)
DP-4978

>  <Target> (283)
Autophagy,Raf

>  <Form> (283)
Free Base

>  <CAS> (283)
1454682-72-4

>  <URL> (283)
http://selleckchem.com/products/ly3009120.html

$$$$
BG45.cdx
csChFnd80/09292414072D

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HDAC

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free base

>  <CAS> (284)
926259-99-6

>  <URL> (284)
http://selleckchem.com/products/bg45.html

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N/A

>  <Target> (285)
AMPK

>  <Form> (285)
free base

>  <CAS> (285)
1613724-42-7

>  <URL> (285)
http://selleckchem.com/products/hth-01-015.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/09292414072D

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>  <Formula> (286)
C21H21F3IN3O2

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>  <Name> (286)
Cobimetinib (GDC-0973)

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RG7420,XL518

>  <Target> (286)
Apoptosis related,MEK

>  <Form> (286)
free base

>  <CAS> (286)
934660-93-2

>  <URL> (286)
http://selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BVD-523.cdx
csChFnd80/09292414072D

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2976

>  <Formula> (287)
C21H22Cl2N4O2

>  <MolWeight> (287)
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>  <Cat> (287)
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>  <Name> (287)
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>  <Synonyms> (287)
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>  <Target> (287)
ERK

>  <Form> (287)
free base

>  <CAS> (287)
869886-67-9

>  <URL> (287)
http://selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
Dorsomorphin.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (288)
2979

>  <Formula> (288)
C24H25N5O

>  <MolWeight> (288)
399.4882

>  <Cat> (288)
S7840

>  <Name> (288)
Dorsomorphin (Compound C)

>  <Synonyms> (288)
BML-275,Compound C

>  <Target> (288)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (288)
Free Base

>  <CAS> (288)
866405-64-3

>  <URL> (288)
http://selleckchem.com/products/dorsomorphin.html

$$$$
KC7F2.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (289)
2984

>  <Formula> (289)
C16H16Cl4N2O4S4

>  <MolWeight> (289)
570.38124

>  <Cat> (289)
S7946

>  <Name> (289)
KC7F2

>  <Synonyms> (289)
N/A

>  <Target> (289)
HIF

>  <Form> (289)
free base

>  <CAS> (289)
927822-86-4

>  <URL> (289)
http://selleckchem.com/products/kc7f2.html

$$$$

csChFnd80/09292414072D

 33 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (290)
2986

>  <Formula> (290)
C26H28N4O3

>  <MolWeight> (290)
444.52552

>  <Cat> (290)
S7921

>  <Name> (290)
DEL-22379

>  <Synonyms> (290)
N/A

>  <Target> (290)
ERK

>  <Form> (290)
free base

>  <CAS> (290)
181223-80-3

>  <URL> (290)
http://selleckchem.com/products/del-22379.html

$$$$
BBI608(Napabucasin.cdx
csChFnd80/09292414072D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (291)
2987

>  <Formula> (291)
C14H8O4

>  <MolWeight> (291)
240.21092

>  <Cat> (291)
S7977

>  <Name> (291)
Napabucasin (BBI608)

>  <Synonyms> (291)
BBI608

>  <Target> (291)
STAT

>  <Form> (291)
free base

>  <CAS> (291)
83280-65-3

>  <URL> (291)
http://selleckchem.com/products/napabucasin.html

$$$$
CH5126766 (RO5126766).cdx
csChFnd80/09292414072D

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>  <Mol_ID> (292)
2995

>  <Formula> (292)
C21H18FN5O5S

>  <MolWeight> (292)
471.4615232

>  <Cat> (292)
S7170

>  <Name> (292)
Avutometinib

>  <Synonyms> (292)
RO5126766,CH5126766,VS 6766, CKI-27, R-7304, RG-7304

>  <Target> (292)
MEK,Raf

>  <Form> (292)
free base

>  <CAS> (292)
946128-88-7

>  <URL> (292)
http://selleckchem.com/products/ro5126766-ch5126766.html

$$$$
GSK621.cdx
csChFnd80/09292414072D

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896720-20-0

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free base

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1627709-94-7

>  <URL> (297)
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FG-2216.cdx
csChFnd80/09292414072D

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HIF

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free base

>  <CAS> (298)
223387-75-5

>  <URL> (298)
http://selleckchem.com/products/fg-2216.html

$$$$
Molidustat(BAY 85-3934).cdx
csChFnd80/09292414072D

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3039

>  <Formula> (299)
C13H14N8O2

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>  <Name> (299)
Molidustat (BAY 85-3934)

>  <Synonyms> (299)
N/A

>  <Target> (299)
HIF

>  <Form> (299)
free base

>  <CAS> (299)
1154028-82-6

>  <URL> (299)
http://selleckchem.com/products/molidustat-(bay85-3934).html

$$$$
Mirin.cdx
csChFnd80/09292414072D

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3042

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free base

>  <CAS> (300)
1198097-97-0

>  <URL> (300)
http://selleckchem.com/products/mirin.html

$$$$
STA-21.cdx
csChFnd80/09292414072D

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C19H14O4

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Ochromycinone (STA-21)

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STAT

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free base

>  <CAS> (301)
111540-00-2

>  <URL> (301)
http://selleckchem.com/products/sta-21.html

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/09292414072D

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>  <Mol_ID> (306)
3063

>  <Formula> (306)
C21H24ClN7O

>  <MolWeight> (306)
425.91456

>  <Cat> (306)
S7980

>  <Name> (306)
VPS34-IN1

>  <Synonyms> (306)
Vps34-IN-1

>  <Target> (306)
Autophagy,PI3K

>  <Form> (306)
free base

>  <CAS> (306)
1383716-33-3

>  <URL> (306)
http://selleckchem.com/products/vps34-in1.html

$$$$
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csChFnd80/09292414072D

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>  <Mol_ID> (307)
3070

>  <Formula> (307)
C17H12Cl2F3N7O2S

>  <MolWeight> (307)
506.2890896

>  <Cat> (307)
S7121

>  <Name> (307)
Tovorafenib (MLN2480)

>  <Synonyms> (307)
BIIB-024, TAK580, AMG-2112819, BSK1369, DAY-101

>  <Target> (307)
Raf

>  <Form> (307)
free base

>  <CAS> (307)
1096708-71-2

>  <URL> (307)
http://selleckchem.com/products/mln2480.html

$$$$
PIK-III.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (308)
3081

>  <Formula> (308)
C17H17N7

>  <MolWeight> (308)
319.36378

>  <Cat> (308)
S7683

>  <Name> (308)
PIK-III

>  <Synonyms> (308)
VPS34-IN2

>  <Target> (308)
Autophagy,LC3,PI3K

>  <Form> (308)
free base

>  <CAS> (308)
1383716-40-2

>  <URL> (308)
http://selleckchem.com/products/pik-iii.html

$$$$
BMS-582949.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (309)
3088

>  <Formula> (309)
C22H26N6O2

>  <MolWeight> (309)
406.48084

>  <Cat> (309)
S8124

>  <Name> (309)
BMS-582949

>  <Synonyms> (309)
PS540446

>  <Target> (309)
p38 MAPK

>  <Form> (309)
free base

>  <CAS> (309)
623152-17-0

>  <URL> (309)
http://selleckchem.com/products/bms-582949.html

$$$$
ETC-1002.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (310)
3091

>  <Formula> (310)
C19H36O5

>  <MolWeight> (310)
344.48614

>  <Cat> (310)
S7953

>  <Name> (310)
ETC-1002

>  <Synonyms> (310)
Bempedoic acid, ESP-55016

>  <Target> (310)
AMPK,ATP-citrate lyase,LDL

>  <Form> (310)
free base

>  <CAS> (310)
738606-46-7

>  <URL> (310)
http://selleckchem.com/products/etc-1002.html

$$$$
Pluripotin (SC1).cdx
csChFnd80/09292414072D

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ERK,S6 Kinase

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free base

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839707-37-8

>  <URL> (311)
http://selleckchem.com/products/pluripotin-sc1.html

$$$$
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Raf

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free base

>  <CAS> (312)
1393465-84-3

>  <URL> (312)
http://selleckchem.com/products/plx7904.html

$$$$
BI-78D3.cdx
csChFnd80/09292414072D

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>  <Target> (313)
JNK

>  <Form> (313)
free base

>  <CAS> (313)
883065-90-5

>  <URL> (313)
http://selleckchem.com/products/bi-78d3.html

$$$$
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>  <MolWeight> (314)
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>  <Synonyms> (314)
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>  <Target> (314)
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>  <Form> (314)
free base

>  <CAS> (314)
1254036-66-2

>  <URL> (314)
http://selleckchem.com/products/gsk2292767.html

$$$$
MK-4827(Niraparib) tosylate.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (315)
3155

>  <Formula> (315)
C26H28N4O4S

>  <MolWeight> (315)
492.58992

>  <Cat> (315)
S7625

>  <Name> (315)
Niraparib (MK-4827) tosylate

>  <Synonyms> (315)
Niraparib tosylate, MK 4827 tosylate, ZEJULA

>  <Target> (315)
Apoptosis related,PARP

>  <Form> (315)
4-?methylbenzen

>  <CAS> (315)
1038915-73-9

>  <URL> (315)
http://selleckchem.com/products/mk-4827-niraparib-tosylate.html

$$$$
ITSA-1 (ITSA1).cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (316)
3157

>  <Formula> (316)
C13H7Cl2N3O

>  <MolWeight> (316)
292.12018

>  <Cat> (316)
S8323

>  <Name> (316)
ITSA-1 (ITSA1)

>  <Synonyms> (316)
N/A

>  <Target> (316)
HDAC

>  <Form> (316)
free base

>  <CAS> (316)
200626-61-5

>  <URL> (316)
http://selleckchem.com/products/itsa-1-itsa1.html

$$$$
LY3023414.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (317)
3159

>  <Formula> (317)
C23H26N4O3

>  <MolWeight> (317)
406.47754

>  <Cat> (317)
S8322

>  <Name> (317)
Samotolisib (LY3023414)

>  <Synonyms> (317)
GTPL8918

>  <Target> (317)
DNA-PK,mTOR,PI3K

>  <Form> (317)
free base

>  <CAS> (317)
1386874-06-1

>  <URL> (317)
http://selleckchem.com/products/ly3023414.html

$$$$
LY333531.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (318)
3171

>  <Formula> (318)
C28H29ClN4O3

>  <MolWeight> (318)
505.00786

>  <Cat> (318)
S7663

>  <Name> (318)
Ruboxistaurin (LY333531) HCl

>  <Synonyms> (318)
Ruboxistaurin hydrochloride,  LY333531 hydrochloride

>  <Target> (318)
PKC

>  <Form> (318)
hydrochloride

>  <CAS> (318)
169939-93-9

>  <URL> (318)
http://selleckchem.com/products/ly333531.html

$$$$
S4712 Diethylmaleate.cdx
csChFnd80/09292414072D

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    9.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (319)
3179

>  <Formula> (319)
C8H12O4

>  <MolWeight> (319)
172.17848

>  <Cat> (319)
S4712

>  <Name> (319)
Diethylmaleate

>  <Synonyms> (319)
Diethyl ester, Maleic acid diethyl ester

>  <Target> (319)
NF-¦ÊB,Nrf2

>  <Form> (319)
Free Base

>  <CAS> (319)
141-05-9

>  <URL> (319)
http://selleckchem.com/products/diethylmaleate.html

$$$$
AZD8835.cdx
csChFnd80/09292414072D

 34 37  0  0  0  0  0  0  0  0999 V2000
   11.5287    2.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5287    0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7411    0.0187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9536    0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9536    2.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7411    2.8187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3163    2.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1699    4.2110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2103    5.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9192    6.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  7  2  0  0  0  0
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 23 24  1  0  0  0  0
  4 25  1  0  0  0  0
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 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 26  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <Mol_ID> (320)
3186

>  <Formula> (320)
C22H31N9O3

>  <MolWeight> (320)
469.54004

>  <Cat> (320)
S7966

>  <Name> (320)
AZD8835

>  <Synonyms> (320)
N/A

>  <Target> (320)
PI3K

>  <Form> (320)
free base

>  <CAS> (320)
1620576-64-8

>  <URL> (320)
http://selleckchem.com/products/azd8835.html

$$$$
Necrosulfonamide.cdx
csChFnd80/09292414072D

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.0903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (321)
3187

>  <Formula> (321)
C18H15N5O6S2

>  <MolWeight> (321)
461.4716

>  <Cat> (321)
S8251

>  <Name> (321)
Necrosulfonamide

>  <Synonyms> (321)
N/A

>  <Target> (321)
Mixed Lineage Kinase

>  <Form> (321)
free base

>  <CAS> (321)
1360614-48-7

>  <URL> (321)
http://selleckchem.com/products/necrosulfonamide.html

$$$$
APS-2-79.cdx
csChFnd80/09292414072D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (322)
3194

>  <Formula> (322)
C23H22ClN3O3

>  <MolWeight> (322)
423.89208

>  <Cat> (322)
S8355

>  <Name> (322)
APS-2-79 HCl

>  <Synonyms> (322)
N/A

>  <Target> (322)
MEK

>  <Form> (322)
hydrochloride

>  <CAS> (322)
2002381-31-7

>  <URL> (322)
http://selleckchem.com/products/aps-2-79.html

$$$$
Deguelin.cdx
csChFnd80/09292414072D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  8 31  1  1  0  0  0
M  END
>  <Mol_ID> (323)
3200

>  <Formula> (323)
C23H22O6

>  <MolWeight> (323)
394.41718

>  <Cat> (323)
S8132

>  <Name> (323)
Deguelin

>  <Synonyms> (323)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (323)
Akt,PI3K

>  <Form> (323)
free base

>  <CAS> (323)
522-17-8

>  <URL> (323)
http://selleckchem.com/products/deguelin.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/09292414072D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (324)
3208

>  <Formula> (324)
C22H15F3N4O2

>  <MolWeight> (324)
424.3753096

>  <Cat> (324)
S8189

>  <Name> (324)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (324)
N/A

>  <Target> (324)
c-RET,Raf,VEGFR

>  <Form> (324)
free base

>  <CAS> (324)
861875-60-7

>  <URL> (324)
http://selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/09292414072D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (325)
3212

>  <Formula> (325)
C19H20F2N4O4

>  <MolWeight> (325)
406.3833064

>  <Cat> (325)
S8125

>  <Name> (325)
Pamapimod

>  <Synonyms> (325)
R-1503,Ro4402257

>  <Target> (325)
p38 MAPK

>  <Form> (325)
free base

>  <CAS> (325)
449811-01-2

>  <URL> (325)
http://selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
BGP-15.cdx
csChFnd80/09292414072D

 22 21  0  0  0  0  0  0  0  0999 V2000
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 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (326)
3232

>  <Formula> (326)
C14H24Cl2N4O2

>  <MolWeight> (326)
351.27196

>  <Cat> (326)
S8370

>  <Name> (326)
BGP-15 2HCl

>  <Synonyms> (326)
N/A

>  <Target> (326)
PARP

>  <Form> (326)
dihydrochloride

>  <CAS> (326)
66611-37-8

>  <URL> (326)
http://selleckchem.com/products/bgp-15.html

$$$$
GDC-0084.cdx
csChFnd80/09292414072D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (327)
3237

>  <Formula> (327)
C18H22N8O2

>  <MolWeight> (327)
382.41968

>  <Cat> (327)
S8163

>  <Name> (327)
Paxalisib (GDC-0084)

>  <Synonyms> (327)
RG7666

>  <Target> (327)
mTOR,PI3K

>  <Form> (327)
free base

>  <CAS> (327)
1382979-44-3

>  <URL> (327)
http://selleckchem.com/products/gdc-0084.html

$$$$
CC-115.cdx
csChFnd80/09292414072D

 25 28  0  0  0  0  0  0  0  0999 V2000
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N/A

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DNA-PK,mTOR

>  <Form> (328)
free base

>  <CAS> (328)
1228013-15-7

>  <URL> (328)
http://selleckchem.com/products/cc-115.html

$$$$
CZ415.cdx
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>  <Mol_ID> (329)
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C22H29N5O4S

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CZ415

>  <Synonyms> (329)
N/A

>  <Target> (329)
mTOR

>  <Form> (329)
free base

>  <CAS> (329)
1429639-50-8

>  <URL> (329)
http://selleckchem.com/products/cz415.html

$$$$
GSK2269557.cdx
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>  <Mol_ID> (330)
3263

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C26H28N6O

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>  <Cat> (330)
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>  <Name> (330)
Nemiralisib

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GSK2269557

>  <Target> (330)
PI3K

>  <Form> (330)
free base

>  <CAS> (330)
1254036-71-9

>  <URL> (330)
http://selleckchem.com/products/gsk2269557.html

$$$$
GSK583.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (331)
3272

>  <Formula> (331)
C20H19FN4O2S

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398.4538632

>  <Cat> (331)
S8261

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GSK583

>  <Synonyms> (331)
N/A

>  <Target> (331)
Interleukins,RIP kinase,TNF-alpha

>  <Form> (331)
free base

>  <CAS> (331)
1346547-00-9

>  <URL> (331)
http://selleckchem.com/products/gsk583.html

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 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 16  1  0  0  0  0
M  END
>  <Mol_ID> (332)
3275

>  <Formula> (332)
C27H25ClN6

>  <MolWeight> (332)
468.9806

>  <Cat> (332)
S8339

>  <Name> (332)
Miransertib (ARQ 092) HCl

>  <Synonyms> (332)
Miransertib

>  <Target> (332)
Akt

>  <Form> (332)
hydrochloride

>  <CAS> (332)
1313883-00-9

>  <URL> (332)
http://selleckchem.com/products/arq-092.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/09292414072D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (333)
3277

>  <Formula> (333)
C21H25N7O

>  <MolWeight> (333)
391.4695

>  <Cat> (333)
S8456

>  <Name> (333)
VPS34 inhibitor 1 (Compound 19)

>  <Synonyms> (333)
PIK-III analogue

>  <Target> (333)
PI3K

>  <Form> (333)
free base

>  <CAS> (333)
1383716-46-8

>  <URL> (333)
http://selleckchem.com/products/vps34-inhibitor-1.html

$$$$
BP-1-102.cdx
csChFnd80/09292414072D

 43 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (334)
3279

>  <Formula> (334)
C29H27F5N2O6S

>  <MolWeight> (334)
626.591496

>  <Cat> (334)
S7769

>  <Name> (334)
BP-1-102

>  <Synonyms> (334)
N/A

>  <Target> (334)
STAT

>  <Form> (334)
free base

>  <CAS> (334)
1334493-07-0

>  <URL> (334)
http://selleckchem.com/products/bp-1-102.html

$$$$
OTS514.cdx
csChFnd80/09292414072D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (335)
3280

>  <Formula> (335)
C21H21ClN2O2S

>  <MolWeight> (335)
400.92164

>  <Cat> (335)
S7652

>  <Name> (335)
OTS514 hydrochloride

>  <Synonyms> (335)
N/A

>  <Target> (335)
Apoptosis related,TOPK

>  <Form> (335)
hydrochloride

>  <CAS> (335)
2319647-76-0

>  <URL> (335)
http://selleckchem.com/products/ots514.html

$$$$
S8275-eFT-508.cdx
csChFnd80/09292414072D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <MolWeight> (336)
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>  <Cat> (336)
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>  <Target> (336)
eIF,MNK,PD-1/PD-L1

>  <Form> (336)
free base

>  <CAS> (336)
1849590-01-7

>  <URL> (336)
http://selleckchem.com/products/eft-508.html

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>  <Formula> (337)
C29H28F5N3O5S

>  <MolWeight> (337)
625.606736

>  <Cat> (337)
S7923

>  <Name> (337)
SH5-07 (SH-5-07)

>  <Synonyms> (337)
N/A

>  <Target> (337)
STAT

>  <Form> (337)
free base

>  <CAS> (337)
1456632-41-9

>  <URL> (337)
http://selleckchem.com/products/sh5-07.html

$$$$
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csChFnd80/09292414072D

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>  <Name> (338)
CCT196969

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N/A

>  <Target> (338)
Raf,Src

>  <Form> (338)
free base

>  <CAS> (338)
1163719-56-9

>  <URL> (338)
http://selleckchem.com/products/cct196969.html

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YC-1.cdx
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3304

>  <Formula> (339)
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>  <MolWeight> (339)
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>  <Cat> (339)
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>  <Name> (339)
Lificiguat (YC-1)

>  <Synonyms> (339)
N/A

>  <Target> (339)
Guanylate Cyclase,HIF

>  <Form> (339)
free base

>  <CAS> (339)
170632-47-0

>  <URL> (339)
http://selleckchem.com/products/lificiguat-yc-1.html

$$$$
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csChFnd80/09292414072D

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>  <Mol_ID> (340)
3307

>  <Formula> (340)
C24H26ClN5O3

>  <MolWeight> (340)
467.94794

>  <Cat> (340)
S8464

>  <Name> (340)
Citarinostat (ACY-241)

>  <Synonyms> (340)
HDAC-IN-2

>  <Target> (340)
HDAC

>  <Form> (340)
free base

>  <CAS> (340)
1316215-12-9

>  <URL> (340)
http://selleckchem.com/products/citarinostat-acy-241.html

$$$$
E7449.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (341)
3310

>  <Formula> (341)
C18H15N5O

>  <MolWeight> (341)
317.3446

>  <Cat> (341)
S8419

>  <Name> (341)
Stenoparib (E7449)

>  <Synonyms> (341)
2X-121, MGI25036

>  <Target> (341)
PARP

>  <Form> (341)
free base

>  <CAS> (341)
1140964-99-3

>  <URL> (341)
http://selleckchem.com/products/e7449.html

$$$$
TGR-1202.cdx
csChFnd80/09292414072D

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3313

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>  <MolWeight> (342)
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>  <Cat> (342)
S8194

>  <Name> (342)
umbralisib (TGR-1202)

>  <Synonyms> (342)
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>  <Target> (342)
PI3K

>  <Form> (342)
free base

>  <CAS> (342)
1532533-67-7

>  <URL> (342)
http://selleckchem.com/products/tgr-1202.html

$$$$
MK-8617.cdx
csChFnd80/09292414072D

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>  <Formula> (343)
C24H21N5O4

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443.45464

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S8443

>  <Name> (343)
MK-8617

>  <Synonyms> (343)
N/A

>  <Target> (343)
HIF

>  <Form> (343)
free base

>  <CAS> (343)
1187990-87-9

>  <URL> (343)
http://selleckchem.com/products/mk-8617.html

$$$$
OTS964.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (344)
3317

>  <Formula> (344)
C23H26Cl2N2O2S

>  <MolWeight> (344)
465.43574

>  <Cat> (344)
S7648

>  <Name> (344)
OTS964

>  <Synonyms> (344)
N/A

>  <Target> (344)
Apoptosis related,Autophagy,CDK,TOPK

>  <Form> (344)
dihydrochloride

>  <CAS> (344)
1338545-07-5

>  <URL> (344)
http://selleckchem.com/products/ots964.html

$$$$
CC-930.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (345)
3318

>  <Formula> (345)
C21H24ClF3N6O2

>  <MolWeight> (345)
484.9024696

>  <Cat> (345)
S8490

>  <Name> (345)
Tanzisertib(CC-930)

>  <Synonyms> (345)
JNK-930, JNKI-1

>  <Target> (345)
JNK

>  <Form> (345)
hydrochloride

>  <CAS> (345)
899805-25-5(freebase)

>  <URL> (345)
http://selleckchem.com/products/cc-930.html

$$$$
NMS-P118.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (346)
3323

>  <Formula> (346)
C20H24F3N3O2

>  <MolWeight> (346)
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>  <Cat> (346)
S8363

>  <Name> (346)
NMS-P118

>  <Synonyms> (346)
N/A

>  <Target> (346)
PARP

>  <Form> (346)
free base

>  <CAS> (346)
1262417-51-5

>  <URL> (346)
http://selleckchem.com/products/nms-p118.html

$$$$
YU238259.cdx
csChFnd80/09292414072D

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C22H22ClN3O4S

>  <MolWeight> (347)
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>  <Cat> (347)
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>  <Name> (347)
YU238259

>  <Synonyms> (347)
N/A

>  <Target> (347)
DNA-PK

>  <Form> (347)
free base

>  <CAS> (347)
1943733-16-1

>  <URL> (347)
http://selleckchem.com/products/yu238259.html

$$$$
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csChFnd80/09292414072D

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1384071-99-1

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free base

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1282514-88-8

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  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (352)
3360

>  <Formula> (352)
C18H17NO5

>  <MolWeight> (352)
327.33128

>  <Cat> (352)
S8317

>  <Name> (352)
3BDO

>  <Synonyms> (352)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (352)
Apoptosis related,Autophagy,FKBP,mTOR

>  <Form> (352)
free base

>  <CAS> (352)
890405-51-3

>  <URL> (352)
http://selleckchem.com/products/3bdo.html

$$$$
GSK2982772.cdx
csChFnd80/09292414072D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0  0  0  0
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M  END
>  <Mol_ID> (353)
3363

>  <Formula> (353)
C20H19N5O3

>  <MolWeight> (353)
377.39656

>  <Cat> (353)
S8484

>  <Name> (353)
GSK2982772

>  <Synonyms> (353)
N/A

>  <Target> (353)
RIP kinase,TNF-alpha

>  <Form> (353)
free base

>  <CAS> (353)
1622848-92-3

>  <URL> (353)
http://selleckchem.com/products/gsk2982772.html

$$$$
SF2523.cdx
csChFnd80/09292414072D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (354)
3365

>  <Formula> (354)
C19H17NO5S

>  <MolWeight> (354)
371.40698

>  <Cat> (354)
S8589

>  <Name> (354)
SF2523

>  <Synonyms> (354)
N/A

>  <Target> (354)
DNA-PK,Epigenetic Reader Domain,mTOR,PI3K

>  <Form> (354)
free base

>  <CAS> (354)
1174428-47-7

>  <URL> (354)
http://selleckchem.com/products/sf2523.html

$$$$
IPI-549.cdx
csChFnd80/09292414072D

 40 45  0  0  0  0  0  0  0  0999 V2000
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    5.1602    8.7948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (355)
3366

>  <Formula> (355)
C30H24N8O2

>  <MolWeight> (355)
528.56396

>  <Cat> (355)
S8330

>  <Name> (355)
Eganelisib (IPI-549)

>  <Synonyms> (355)
N/A

>  <Target> (355)
PI3K

>  <Form> (355)
free base

>  <CAS> (355)
1693758-51-8

>  <URL> (355)
http://selleckchem.com/products/ipi-549.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/09292414072D

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>  <Mol_ID> (356)
3378

>  <Formula> (356)
C19H17N5O3

>  <MolWeight> (356)
363.36998

>  <Cat> (356)
S8581

>  <Name> (356)
Serabelisib (TAK-117)

>  <Synonyms> (356)
INK-1117, MLN-1117

>  <Target> (356)
PI3K

>  <Form> (356)
free base

>  <CAS> (356)
1268454-23-4

>  <URL> (356)
http://selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
HJC0152.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (357)
3382

>  <Formula> (357)
C15H14Cl3N3O4

>  <MolWeight> (357)
406.64836

>  <Cat> (357)
S8561

>  <Name> (357)
HJC0152

>  <Synonyms> (357)
N/A

>  <Target> (357)
STAT

>  <Form> (357)
hydrochloride

>  <CAS> (357)
1420290-99-8

>  <URL> (357)
http://selleckchem.com/products/hjc0152.html

$$$$
Autophinib.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (358)
3383

>  <Formula> (358)
C14H11ClN6O3

>  <MolWeight> (358)
346.72854

>  <Cat> (358)
S8596

>  <Name> (358)
Autophinib

>  <Synonyms> (358)
N/A

>  <Target> (358)
Autophagy,PI3K

>  <Form> (358)
free base

>  <CAS> (358)
1644443-47-9

>  <URL> (358)
http://selleckchem.com/products/autophinib.html

$$$$
LW 6.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (359)
3385

>  <Formula> (359)
C26H29NO5

>  <MolWeight> (359)
435.51216

>  <Cat> (359)
S8441

>  <Name> (359)
LW 6

>  <Synonyms> (359)
CAY10585, AC1-001

>  <Target> (359)
HIF

>  <Form> (359)
free base

>  <CAS> (359)
934593-90-5

>  <URL> (359)
http://selleckchem.com/products/lw-6.html

$$$$
Tucidinostat (Chidamide).cdx
csChFnd80/09292414072D

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3392

>  <Formula> (360)
C22H19FN4O2

>  <MolWeight> (360)
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>  <Cat> (360)
S8567

>  <Name> (360)
Tucidinostat (Chidamide)

>  <Synonyms> (360)
HBI-8000, CS-055

>  <Target> (360)
HDAC

>  <Form> (360)
free base

>  <CAS> (360)
1616493-44-7

>  <URL> (360)
http://selleckchem.com/products/tucidinostat-chidamide.html

$$$$
LY3214996.cdx
csChFnd80/09292414072D

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3400

>  <Formula> (361)
C22H27N7O2S

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453.56048

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S8534

>  <Name> (361)
Temuterkib (LY3214996)

>  <Synonyms> (361)
N/A

>  <Target> (361)
ERK

>  <Form> (361)
free base

>  <CAS> (361)
1951483-29-6

>  <URL> (361)
http://selleckchem.com/products/ly3214996.html

$$$$
S3631 (S)-Methylisothiourea sulfate.cdx
csChFnd80/09292414072D

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?0.5H2SO4?
M  END
>  <Mol_ID> (362)
3403

>  <Formula> (362)
C2H6N2RS

>  <MolWeight> (362)
90.14744

>  <Cat> (362)
S3631

>  <Name> (362)
(S)-Methylisothiourea sulfate

>  <Synonyms> (362)
N/A

>  <Target> (362)
ROS

>  <Form> (362)
sulfate

>  <CAS> (362)
867-44-7

>  <URL> (362)
http://selleckchem.com/products/s-methylisothiourea-sulfate.html

$$$$
PF-06409577.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (363)
3406

>  <Formula> (363)
C19H16ClNO3

>  <MolWeight> (363)
341.78824

>  <Cat> (363)
S8335

>  <Name> (363)
PF-06409577

>  <Synonyms> (363)
N/A

>  <Target> (363)
AMPK

>  <Form> (363)
free base

>  <CAS> (363)
1467057-23-3

>  <URL> (363)
http://selleckchem.com/products/pf-06409577.html

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (364)
3419

>  <Formula> (364)
C12H8ClI

>  <MolWeight> (364)
314.54939

>  <Cat> (364)
S8639

>  <Name> (364)
Diphenyleneiodonium chloride (DPI)

>  <Synonyms> (364)
N/A

>  <Target> (364)
NADPH-oxidase,NOS,ROS,TRP Channel

>  <Form> (364)
chloride

>  <CAS> (364)
4673-26-1

>  <URL> (364)
http://selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

$$$$
ACY-738.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (365)
3422

>  <Formula> (365)
C14H14N4O2

>  <MolWeight> (365)
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>  <Cat> (365)
S8648

>  <Name> (365)
ACY-738

>  <Synonyms> (365)
N/A

>  <Target> (365)
HDAC

>  <Form> (365)
free base

>  <CAS> (365)
1375465-91-0

>  <URL> (365)
http://selleckchem.com/products/acy-738.html

$$$$
C188-9.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (366)
3437

>  <Formula> (366)
C27H21NO5S

>  <MolWeight> (366)
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>  <Cat> (366)
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>  <Name> (366)
C188-9

>  <Synonyms> (366)
TTI 101

>  <Target> (366)
STAT

>  <Form> (366)
free base

>  <CAS> (366)
432001-19-9

>  <URL> (366)
http://selleckchem.com/products/c188-9.html

$$$$
2-D08.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (367)
3517

>  <Formula> (367)
C15H10O5

>  <MolWeight> (367)
270.2369

>  <Cat> (367)
S8696

>  <Name> (367)
2-D08

>  <Synonyms> (367)
2',3',4'-trihydroxy flavone

>  <Target> (367)
SUMO

>  <Form> (367)
free base

>  <CAS> (367)
144707-18-6

>  <URL> (367)
http://selleckchem.com/products/2-d08.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/09292414072D

 34 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (368)
3557

>  <Formula> (368)
C21H17ClF4N4O4

>  <MolWeight> (368)
500.8306928

>  <Cat> (368)
S5077

>  <Name> (368)
Regorafenib (BAY-734506) Monohydrate

>  <Synonyms> (368)
Fluoro-sorafenib, Resihance, Stivarga, regorafaenib monohydrate

>  <Target> (368)
c-Kit,c-RET,PDGFR,Raf,VEGFR

>  <Form> (368)
monohydrate

>  <CAS> (368)
1019206-88-2

>  <URL> (368)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
S5304 2-Acetylphenothiazine.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (369)
3567

>  <Formula> (369)
C14H11NOS

>  <MolWeight> (369)
241.30824

>  <Cat> (369)
S5304

>  <Name> (369)
2-Acetylphenothiazine (ML171)

>  <Synonyms> (369)
2-APT

>  <Target> (369)
NADPH-oxidase

>  <Form> (369)
free base

>  <CAS> (369)
6631-94-3

>  <URL> (369)
http://selleckchem.com/products/2-acetylphenothiazine-ml171.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/09292414072D

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>  <Mol_ID> (370)
3590

>  <Formula> (370)
C23H18FN5O2

>  <MolWeight> (370)
415.4197232

>  <Cat> (370)
S8672

>  <Name> (370)
Tenalisib (RP6530)

>  <Synonyms> (370)
N/A

>  <Target> (370)
PI3K

>  <Form> (370)
free base

>  <CAS> (370)
1639417-53-0

>  <URL> (370)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
RAF709.cdx
csChFnd80/09292414072D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (371)
3604

>  <Formula> (371)
C28H29F3N4O4

>  <MolWeight> (371)
542.5494696

>  <Cat> (371)
S8690

>  <Name> (371)
RAF709

>  <Synonyms> (371)
N/A

>  <Target> (371)
Raf

>  <Form> (371)
free base

>  <CAS> (371)
1628838-42-5

>  <URL> (371)
http://selleckchem.com/products/raf709.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (372)
3643

>  <Formula> (372)
C10H16N5O8P

>  <MolWeight> (372)
365.236501

>  <Cat> (372)
S5284

>  <Name> (372)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (372)
5'-Adenylic acid, 5'-AMP

>  <Target> (372)
AMPK

>  <Form> (372)
hydrate

>  <CAS> (372)
18422-05-4

>  <URL> (372)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5313 SC66.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (373)
3663

>  <Formula> (373)
C18H16N2O

>  <MolWeight> (373)
276.33244

>  <Cat> (373)
S5313

>  <Name> (373)
SC66

>  <Synonyms> (373)
N/A

>  <Target> (373)
Akt

>  <Form> (373)
free base

>  <CAS> (373)
871361-88-5

>  <URL> (373)
http://selleckchem.com/products/sc66.html

$$$$
AZD1390.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (374)
3669

>  <Formula> (374)
C27H32FN5O2

>  <MolWeight> (374)
477.5736832

>  <Cat> (374)
S8680

>  <Name> (374)
AZD1390

>  <Synonyms> (374)
N/A

>  <Target> (374)
ATM/ATR

>  <Form> (374)
free base

>  <CAS> (374)
2089288-03-7

>  <URL> (374)
http://selleckchem.com/products/azd1390.html

$$$$
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csChFnd80/09292414072D

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M  END
>  <Mol_ID> (375)
3719

>  <Formula> (375)
C14H18N2O

>  <MolWeight> (375)
230.30552

>  <Cat> (375)
S8642

>  <Name> (375)
GSK'963

>  <Synonyms> (375)
N/A

>  <Target> (375)
RIP kinase

>  <Form> (375)
free base

>  <CAS> (375)
2049868-46-2

>  <URL> (375)
http://selleckchem.com/products/gsk963.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/09292414072D

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M  END
>  <Mol_ID> (376)
3741

>  <Formula> (376)
C24H24F3N5O5S3

>  <MolWeight> (376)
615.6680696

>  <Cat> (376)
S5069

>  <Name> (376)
Dabrafenib Mesylate

>  <Synonyms> (376)
GSK2118436 Mesylate

>  <Target> (376)
Raf

>  <Form> (376)
mesylate

>  <CAS> (376)
1195768-06-9

>  <URL> (376)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5438 Biphenyl-4-sulfonyl chloride.cdx
csChFnd80/09292414072D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
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M  END
>  <Mol_ID> (377)
3804

>  <Formula> (377)
C12H9ClO2S

>  <MolWeight> (377)
252.71666

>  <Cat> (377)
S5438

>  <Name> (377)
Biphenyl-4-sulfonyl chloride

>  <Synonyms> (377)
p-Phenylbenzenesulfonyl chloride, 4-Phenylbenzenesulfonyl chloride, p-Biphenylsulfonyl chloride

>  <Target> (377)
HDAC

>  <Form> (377)
free base

>  <CAS> (377)
1623-93-4

>  <URL> (377)
http://selleckchem.com/products/biphenyl-4-sulfonyl-chloride.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/09292414072D

 10 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (378)
3805

>  <Formula> (378)
C8H6BrN

>  <MolWeight> (378)
196.04394

>  <Cat> (378)
S5439

>  <Name> (378)
5-Bromoindole

>  <Synonyms> (378)
N/A

>  <Target> (378)
GSK-3

>  <Form> (378)
free base

>  <CAS> (378)
10075-50-0

>  <URL> (378)
http://selleckchem.com/products/5-bromoindole.html

$$$$
UM-164.cdx
csChFnd80/09292414072D

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>  <Mol_ID> (379)
3899

>  <Formula> (379)
C30H31F3N8O3S

>  <MolWeight> (379)
640.6791496

>  <Cat> (379)
S8706

>  <Name> (379)
UM-164

>  <Synonyms> (379)
N/A

>  <Target> (379)
p38 MAPK,Src

>  <Form> (379)
free base

>  <CAS> (379)
903564-48-7

>  <URL> (379)
http://selleckchem.com/products/um-164.html

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/09292414072D

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    4.8738    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    2.0758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    4.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
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  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (380)
3995

>  <Formula> (380)
C8H6N2O

>  <MolWeight> (380)
146.14604

>  <Cat> (380)
S9360

>  <Name> (380)
4-Hydroxyquinazoline

>  <Synonyms> (380)
Quinazolin-4-ol, 4-Quinazolinol

>  <Target> (380)
PARP

>  <Form> (380)
free base

>  <CAS> (380)
491-36-1

>  <URL> (380)
https://www.selleckchem.com/products/4-hydroxyquinazoline-.html

$$$$

csChFnd80/09292414072D

 14 13  0  0  0  0  0  0  0  0999 V2000
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   13.3855    1.9977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2837    1.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2147    2.1086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (381)
4091

>  <Formula> (381)
C8H16N2O4

>  <MolWeight> (381)
204.22364

>  <Cat> (381)
S5905

>  <Name> (381)
Suberohydroxamic acid

>  <Synonyms> (381)
suberic bishydroxamic acid

>  <Target> (381)
HDAC

>  <Form> (381)
Free Base

>  <CAS> (381)
38937-66-5

>  <URL> (381)
http://www.selleckchem.com/products/suberohydroxamic-acid.html

$$$$

csChFnd80/09292414072D

 38 43  0  0  0  0  0  0  0  0999 V2000
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    3.8207    6.5040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2413    3.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 13  8  1  0  0  0  0
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 24 19  1  0  0  0  0
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 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
  7 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
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 30 33  2  0  0  0  0
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M  END
>  <Mol_ID> (382)
4121

>  <Formula> (382)
C25H21F3N6O3S

>  <MolWeight> (382)
542.5328496

>  <Cat> (382)
S7965

>  <Name> (382)
PLX8394

>  <Synonyms> (382)
N/A

>  <Target> (382)
Raf

>  <Form> (382)
Free Base

>  <CAS> (382)
1393466-87-9

>  <URL> (382)
http://www.selleckchem.com/products/plx8394.html

$$$$

csChFnd80/09292414072D

 31 34  0  0  0  0  0  0  0  0999 V2000
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (383)
4125

>  <Formula> (383)
C24H28N4O3

>  <MolWeight> (383)
420.50412

>  <Cat> (383)
S8556

>  <Name> (383)
AZ31

>  <Synonyms> (383)
N/A

>  <Target> (383)
ATM/ATR

>  <Form> (383)
Free Base

>  <CAS> (383)
2088113-98-6

>  <URL> (383)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/09292414072D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (384)
4126

>  <Formula> (384)
C23H14ClF3N6O

>  <MolWeight> (384)
482.8450696

>  <Cat> (384)
S8560

>  <Name> (384)
Seletalisib (UCB-5857)

>  <Synonyms> (384)
N/A

>  <Target> (384)
PI3K

>  <Form> (384)
Free Base

>  <CAS> (384)
1362850-20-1

>  <URL> (384)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/09292414072D

 22 26  0  0  0  0  0  0  0  0999 V2000
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 10 11  2  0  0  0  0
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 12  6  1  0  0  0  0
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 13 14  2  0  0  0  0
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  4 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
  1 20  1  1  0  0  0
 19 21  2  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <Mol_ID> (385)
4127

>  <Formula> (385)
C16H15FN4O

>  <MolWeight> (385)
298.3149032

>  <Cat> (385)
S8592

>  <Name> (385)
Pamiparib (BGB-290)

>  <Synonyms> (385)
N/A

>  <Target> (385)
PARP

>  <Form> (385)
Free Base

>  <CAS> (385)
1446261-44-4

>  <URL> (385)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/09292414072D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
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 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
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 26 21  1  0  0  0  0
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 28 30  2  0  0  0  0
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M  END
>  <Mol_ID> (386)
4130

>  <Formula> (386)
C24H18ClN3O3

>  <MolWeight> (386)
431.87102

>  <Cat> (386)
S8654

>  <Name> (386)
ex229 (compound 991)

>  <Synonyms> (386)
N/A

>  <Target> (386)
AMPK

>  <Form> (386)
Free Base

>  <CAS> (386)
1219739-36-2

>  <URL> (386)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/09292414072D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (387)
4137

>  <Formula> (387)
C20H16N4O

>  <MolWeight> (387)
328.36724

>  <Cat> (387)
S8729

>  <Name> (387)
AZ32

>  <Synonyms> (387)
N/A

>  <Target> (387)
ATM/ATR

>  <Form> (387)
Free Base

>  <CAS> (387)
2288709-96-4

>  <URL> (387)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/09292414072D

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 14  9  1  0  0  0  0
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 19  7  1  0  0  0  0
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M  END
>  <Mol_ID> (388)
4139

>  <Formula> (388)
C17H20F3N7O2

>  <MolWeight> (388)
411.3816096

>  <Cat> (388)
S8738

>  <Name> (388)
Bimiralisib (PQR309)

>  <Synonyms> (388)
N/A

>  <Target> (388)
mTOR,PI3K

>  <Form> (388)
Free Base

>  <CAS> (388)
1225037-39-7

>  <URL> (388)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/09292414072D

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   10.9119   16.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 10 11  2  0  0  0  0
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 15 10  1  0  0  0  0
 13 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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 22 17  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 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  1  0  0  0  0
 32 23  1  0  0  0  0
  6 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (389)
4142

>  <Formula> (389)
C25H25F3N4O4

>  <MolWeight> (389)
502.4856096

>  <Cat> (389)
S8745

>  <Name> (389)
Naporafenib (LXH254)

>  <Synonyms> (389)
N/A

>  <Target> (389)
Raf

>  <Form> (389)
Free Base

>  <CAS> (389)
1800398-38-2

>  <URL> (389)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/09292414072D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4938    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  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
 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
 14 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  2 28  1  0  0  0  0
 28 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
M  END
>  <Mol_ID> (390)
4145

>  <Formula> (390)
C21H25F3N6O2

>  <MolWeight> (390)
450.4574096

>  <Cat> (390)
S8752

>  <Name> (390)
leniolisib (CDZ 173)

>  <Synonyms> (390)
N/A

>  <Target> (390)
PI3K

>  <Form> (390)
Free Base

>  <CAS> (390)
1354690-24-6

>  <URL> (390)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/09292414072D

 27 31  0  0  0  0  0  0  0  0999 V2000
    4.3587    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3587    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7836    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7836    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9960    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1463    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2084    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4209    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6333    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4209    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6333    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8457    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0582    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0582    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8457    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2706    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9338    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7214    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7214    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9338    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1463    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988    4.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3797    1.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  8  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26  8  1  0  0  0  0
 25 27  1  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (391)
4154

>  <Formula> (391)
C23H32N2O2

>  <MolWeight> (391)
368.51238

>  <Cat> (391)
S8771

>  <Name> (391)
IDF-11774

>  <Synonyms> (391)
N/A

>  <Target> (391)
HIF

>  <Form> (391)
Free Base

>  <CAS> (391)
1429054-28-3

>  <URL> (391)
http://www.selleckchem.com/products/idf-11774.html

$$$$
S9034 Isochlorogenic acid C.cdx
csChFnd80/09292414072D

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.2783    4.1964    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4910    3.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7032    4.1973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7027    5.5973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4900    6.2969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2778    5.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8995    4.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4202    5.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9149    6.2978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9144    7.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1265    8.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3392    7.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7017    8.3973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7641    7.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9763    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7631   10.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5509    9.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1879   10.5004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9159    3.4978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1281    4.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3408    3.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5529    4.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1276    5.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7656    3.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7661    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1910    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1905    3.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9778    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4037    1.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9794    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4895    7.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    2.8807    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
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  1  7  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 11 14  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 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
 13 15  1  0  0  0  0
 10 11  1  0  0  0  0
  4 10  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 24 27  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 33  1  0  0  0  0
 28 33  2  0  0  0  0
 31 34  1  0  0  0  0
 30 35  1  0  0  0  0
 26 28  1  0  0  0  0
 23 24  1  0  0  0  0
  3 23  1  6  0  0  0
  5 36  1  1  0  0  0
  1 37  1  6  0  0  0
M  END
>  <Mol_ID> (392)
4168

>  <Formula> (392)
C25H24O12

>  <MolWeight> (392)
516.45086

>  <Cat> (392)
S9034

>  <Name> (392)
Isochlorogenic acid C

>  <Synonyms> (392)
3,4-Dicaffeoylquinic acid; 4,5-Dicaffeoylquinic acid

>  <Target> (392)
ROS

>  <Form> (392)
free base

>  <CAS> (392)
57378-72-0

>  <URL> (392)
https://www.selleckchem.com/products/isochlorogenic-acid-c.html

$$$$

csChFnd80/09292414072D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.5543    4.1637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5543    2.7637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6490    1.8909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0139    2.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6212    3.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0139    4.7250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6490    5.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    4.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    2.3311    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6593    6.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0117    7.2211    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2970    5.5065    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0017    6.2311    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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free base

>  <CAS> (393)
30220-46-3

>  <URL> (393)
https://www.selleckchem.com/products/ingenol.html

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>  <Cat> (394)
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Magnolin

>  <Target> (394)
ERK

>  <CAS> (394)
31008-18-1

>  <URL> (394)
https://www.selleckchem.com/products/magnolin.html

$$$$
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csChFnd80/09292414072D

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>  <Name> (395)
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>  <Target> (395)
Immunology & Inflammation related,NF-¦ÊB

>  <Form> (395)
free base

>  <CAS> (395)
39432-56-9

>  <URL> (395)
https://www.selleckchem.com/products/eleutheroside-e.html

$$$$
S9107 Glycitein.cdx
csChFnd80/09292414072D

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>  <Formula> (396)
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>  <MolWeight> (396)
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>  <Cat> (396)
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>  <Name> (396)
Glycitein

>  <Target> (396)
ROS

>  <Form> (396)
free base

>  <CAS> (396)
40957-83-3

>  <URL> (396)
https://www.selleckchem.com/products/glycitein.html

$$$$
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csChFnd80/09292414072D

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>  <Mol_ID> (397)
4489

>  <Formula> (397)
C42H72O13

>  <MolWeight> (397)
785.01328

>  <Cat> (397)
S9021

>  <Name> (397)
(20R)Ginsenoside Rg3

>  <Synonyms> (397)
OG15964

>  <Target> (397)
ROS

>  <Form> (397)
free base

>  <CAS> (397)
38243-03-7

>  <URL> (397)
https://www.selleckchem.com/products/20r-ginsenoside-rg3.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/09292414072D

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4562

>  <Formula> (398)
C20H21N3O2

>  <MolWeight> (398)
335.39964

>  <Cat> (398)
S8049

>  <Name> (398)
Tubastatin A

>  <Target> (398)
Apoptosis related,Autophagy,HDAC

>  <CAS> (398)
1252003-15-8

>  <URL> (398)
https://www.selleckchem.com/products/tubastatin-a.html

$$$$

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>  <Mol_ID> (399)
4704

>  <Formula> (399)
C11H15BrN2O

>  <MolWeight> (399)
271.1536

>  <Cat> (399)
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>  <Name> (399)
UF010

>  <Synonyms> (399)
N/A

>  <Target> (399)
HDAC

>  <Form> (399)
Free Base

>  <CAS> (399)
537672-41-6

>  <URL> (399)
http://www.selleckchem.com/products/uf010.html

$$$$

csChFnd80/09292414072D

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>  <Formula> (400)
C21H16FN7O

>  <MolWeight> (400)
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>  <Cat> (400)
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>  <Name> (400)
acalisib (GS-9820)

>  <Synonyms> (400)
CAL-120

>  <Target> (400)
PI3K

>  <Form> (400)
Free Base

>  <CAS> (400)
870281-34-8

>  <URL> (400)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/09292414072D

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2196203-96-8

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4732

>  <Formula> (402)
C22H21F3N6O2

>  <MolWeight> (402)
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>  <Cat> (402)
S8801

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CC-90003

>  <Synonyms> (402)
N/A

>  <Target> (402)
ERK

>  <Form> (402)
Free Base

>  <CAS> (402)
1621999-82-3

>  <URL> (402)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/09292414072D

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>  <Mol_ID> (403)
4733

>  <Formula> (403)
C27H19ClN2O3

>  <MolWeight> (403)
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>  <Cat> (403)
S8803

>  <Name> (403)
MK-3903

>  <Synonyms> (403)
N/A

>  <Target> (403)
AMPK

>  <Form> (403)
Free Base

>  <CAS> (403)
1219737-12-8

>  <URL> (403)
http://www.selleckchem.com/products/mk-3903.html

$$$$

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>  <Mol_ID> (404)
5075

>  <Formula> (404)
C21H19ClNO4+

>  <MolWeight> (404)
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>  <Cat> (404)
S1292

>  <Name> (404)
Chelerythrine Chloride (NSC 646662)

>  <Synonyms> (404)
Broussonpapyrine chloride

>  <Target> (404)
PKC

>  <Form> (404)
Chloride

>  <CAS> (404)
3895-92-9

>  <URL> (404)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 10 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 11  1  0  0  0  0
 15 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
 14 22  1  0  0  0  0
 17 23  2  0  0  0  0
M  END
>  <Mol_ID> (405)
5094

>  <Formula> (405)
C19H17N3O

>  <MolWeight> (405)
303.35778

>  <Cat> (405)
S2382

>  <Name> (405)
Evodiamine

>  <Synonyms> (405)
Isoevodiamine

>  <Target> (405)
NF-¦ÊB

>  <Form> (405)
Free Base

>  <CAS> (405)
518-17-2

>  <URL> (405)
http://www.selleck.cn/products/Evodiamine(Isoevodiamine).html

$$$$

csChFnd80/09292414072D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
   10.8951    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.1976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (406)
5101

>  <Formula> (406)
C13H8Cl2N2O4

>  <MolWeight> (406)
327.11962

>  <Cat> (406)
S3030

>  <Name> (406)
Niclosamide (BAY2353)

>  <Synonyms> (406)
Niclocide, NSC 178296

>  <Target> (406)
Autophagy,STAT

>  <Form> (406)
Free Base

>  <CAS> (406)
50-65-7

>  <URL> (406)
http://www.selleck.cn/products/niclosamide-niclocide.html

$$$$

csChFnd80/09292414072D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.8361    6.2779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    6.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    8.3698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    6.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    8.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318    6.2706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   11.1717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371   10.4741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2701    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.2895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536   10.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4825    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8870   11.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8868   12.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6743   14.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4827    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  7  2  1  0  0  0  0
  3  4  2  0  0  0  0
  6  3  1  0  0  0  0
 12  4  1  0  0  0  0
  5  6  2  0  0  0  0
  9  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
  8  9  1  0  0  0  0
 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 23 10  2  0  0  0  0
 11 25  1  0  0  0  0
 11 24  1  0  0  0  0
 18 12  1  0  0  0  0
 16 13  1  0  0  0  0
 14 17  1  0  0  0  0
 28 14  2  0  0  0  0
 15 16  2  0  0  0  0
 19 15  1  0  0  0  0
 26 16  1  0  0  0  0
 17 18  1  0  0  0  0
 29 19  1  0  0  0  0
 19 27  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 22 26  2  0  0  0  0
 27 22  1  0  0  0  0
 23 30  1  0  0  0  0
 31 28  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (407)
5141

>  <Formula> (407)
C23H26N6O2

>  <MolWeight> (407)
418.49154

>  <Cat> (407)
S6414

>  <Name> (407)
Apilimod (STA-5326)

>  <Synonyms> (407)
STA-5326

>  <Target> (407)
Interleukins,PIKfyve

>  <Form> (407)
Free Base

>  <CAS> (407)
541550-19-0

>  <URL> (407)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/09292414072D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0330    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    2.8000    0.0000 N   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
    8.4578    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    4.9000    0.0000 C   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
   12.0951    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    4.2000    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
  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
 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
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  7 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  7  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
>  <Mol_ID> (408)
5205

>  <Formula> (408)
C23H20FN7O

>  <MolWeight> (408)
429.4496032

>  <Cat> (408)
S8693

>  <Name> (408)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (408)
N/A

>  <Target> (408)
PI3K

>  <Form> (408)
Free Base

>  <CAS> (408)
2088525-31-7

>  <URL> (408)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/09292414072D

 50 56  0  0  0  0  0  0  0  0999 V2000
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   18.1730    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5979    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 48 49  2  0  0  0  0
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 47 50  1  0  0  0  0
M  END
>  <Mol_ID> (409)
5206

>  <Formula> (409)
C37H41N9O3S

>  <MolWeight> (409)
691.84494

>  <Cat> (409)
S8701

>  <Name> (409)
MK-8353 (SCH900353)

>  <Synonyms> (409)
N/A

>  <Target> (409)
ERK

>  <Form> (409)
Free Base

>  <CAS> (409)
1184173-73-6

>  <URL> (409)
http://www.selleck.cn/products/mk-8353-sch900353.html

$$$$

csChFnd80/09292414072D

 27 28  0  0  0  0  0  0  0  0999 V2000
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   18.0166    9.7497    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  5  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  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
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 11 19  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
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 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (410)
5210

>  <Formula> (410)
C19H28Cl2N4O2

>  <MolWeight> (410)
415.35722

>  <Cat> (410)
S8769

>  <Name> (410)
Tinostamustine(EDO-S101)

>  <Synonyms> (410)
N/A

>  <Target> (410)
HDAC

>  <Form> (410)
Free Base

>  <CAS> (410)
1236199-60-2

>  <URL> (410)
http://www.selleck.cn/products/tinostamustine.html

$$$$

csChFnd80/09292414072D

 21 24  0  0  0  0  0  0  0  0999 V2000
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    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  9  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
 12  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 16  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 17  1  0  0  0  0
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 18 14  1  0  0  0  0
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 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (411)
6472

>  <Formula> (411)
C16H15N3O2

>  <MolWeight> (411)
281.3092

>  <Cat> (411)
S6506

>  <Name> (411)
Compound 401

>  <Synonyms> (411)
N/A

>  <Target> (411)
DNA-PK,mTOR

>  <Form> (411)
free base

>  <CAS> (411)
168425-64-7

>  <URL> (411)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/09292414072D

 34 38  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 10 14  1  0  0  0  0
 11 16  1  0  0  0  0
 18 19  1  0  0  0  0
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 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 24 25  2  0  0  0  0
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 24 27  1  0  0  0  0
 21 24  1  0  0  0  0
 17 18  1  0  0  0  0
 15 17  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
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 32 33  1  0  0  0  0
 28 33  1  0  0  0  0
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 14 34  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (412)
6480

>  <Formula> (412)
C21H28N8O3S2

>  <MolWeight> (412)
504.62882

>  <Cat> (412)
S6516

>  <Name> (412)
GNE-477

>  <Synonyms> (412)
N/A

>  <Target> (412)
mTOR,PI3K

>  <Form> (412)
free base

>  <CAS> (412)
1032754-81-6

>  <URL> (412)
http://www.selleck.cn/products/gne-477.html

$$$$

csChFnd80/09292414072D

 38 42  0  0  0  0  0  0  0  0999 V2000
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 27 28  1  0  0  0  0
 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
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 29 34  2  0  0  0  0
 36 37  1  0  0  0  0
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  9 14  1  0  0  0  0
M  END
>  <Mol_ID> (413)
6495

>  <Formula> (413)
C29H24F3N5O

>  <MolWeight> (413)
515.5289696

>  <Cat> (413)
S6538

>  <Name> (413)
B-Raf IN 1

>  <Synonyms> (413)
N/A

>  <Target> (413)
Raf

>  <Form> (413)
free base

>  <CAS> (413)
950736-05-7

>  <URL> (413)
http://www.selleck.cn/products/b-rafin-1.html

$$$$

csChFnd80/09292414072D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
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  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (414)
6496

>  <Formula> (414)
C20H14Cl2FN5O2S

>  <MolWeight> (414)
478.3268632

>  <Cat> (414)
S6541

>  <Name> (414)
MTX-211

>  <Synonyms> (414)
N/A

>  <Target> (414)
EGFR,PI3K

>  <Form> (414)
free base

>  <CAS> (414)
1952236-05-3

>  <URL> (414)
http://www.selleck.cn/products/mtx-211.html

$$$$

csChFnd80/09292414072D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  7 16  2  0  0  0  0
 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 14 17  1  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
>  <Mol_ID> (415)
6510

>  <Formula> (415)
C19H20N4O3

>  <MolWeight> (415)
352.3871

>  <Cat> (415)
S6571

>  <Name> (415)
BQR695

>  <Synonyms> (415)
NVP-BQR695

>  <Target> (415)
PI4K

>  <Form> (415)
free base

>  <CAS> (415)
1513879-21-4

>  <URL> (415)
http://www.selleck.cn/products/bqr695.html

$$$$

csChFnd80/09292414072D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  6  1  0  0  0  0
  7  8  1  0  0  0  0
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  3  9  1  0  0  0  0
  1  7  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  5 10  1  0  0  0  0
 13 14  1  0  0  0  0
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 16 19  1  0  0  0  0
  9 13  1  0  0  0  0
 12 23  1  0  0  0  0
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 24 29  2  0  0  0  0
 27 30  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
>  <Mol_ID> (416)
6512

>  <Formula> (416)
C22H18ClN5O2

>  <MolWeight> (416)
419.86362

>  <Cat> (416)
S6574

>  <Name> (416)
KDU691

>  <Synonyms> (416)
N/A

>  <Target> (416)
PI4K

>  <Form> (416)
free base

>  <CAS> (416)
1513879-19-0

>  <URL> (416)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/09292414072D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (417)
6515

>  <Formula> (417)
C20H25F3N6O3

>  <MolWeight> (417)
454.4461096

>  <Cat> (417)
S6577

>  <Name> (417)
PKC-theta inhibitor

>  <Synonyms> (417)
N/A

>  <Target> (417)
PKC

>  <Form> (417)
free base

>  <CAS> (417)
736048-65-0

>  <URL> (417)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/09292414072D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 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
 15 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
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
  8 29  1  0  0  0  0
M  END
>  <Mol_ID> (418)
6535

>  <Formula> (418)
C21H24N4O4

>  <MolWeight> (418)
396.43966

>  <Cat> (418)
S8743

>  <Name> (418)
SKLB-23bb

>  <Synonyms> (418)
N/A

>  <Target> (418)
HDAC

>  <Form> (418)
free base

>  <CAS> (418)
1815580-06-3

>  <URL> (418)
http://www.selleck.cn/products/sklb-23bb.html

$$$$
