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csChFnd80/10161910362D

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azd6244.cdx
csChFnd80/10161910362D

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CI1040.cdx
csChFnd80/10161910362D

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CI-1040 (PD184352)

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MEK 

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212631-79-3

>  <URL> (3)
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$$$$
untitled.cdx
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>  <Mol_ID> (4)
13

>  <Formula> (4)
C53H84NO14P

>  <MolWeight> (4)
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>  <Cat> (4)
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>  <Name> (4)
Deforolimus (MK-8669) 

>  <Synonyms> (4)
AP23573, MK-8669

>  <Target> (4)
mTOR

>  <Form> (4)
Free Base

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

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

$$$$
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>  <Mol_ID> (5)
19

>  <Formula> (5)
C21H23N3O2

>  <MolWeight> (5)
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>  <Cat> (5)
S1030

>  <Name> (5)
Panobinostat (LBH589)

>  <Synonyms> (5)
N/A 

>  <Target> (5)
HDAC 

>  <Form> (5)
Free Base

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

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

$$$$
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>  <Mol_ID> (6)
23

>  <Formula> (6)
C16H14F3IN2O4

>  <MolWeight> (6)
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>  <Cat> (6)
S1036

>  <Name> (6)
PD0325901

>  <Synonyms> (6)
N/A

>  <Target> (6)
MEK 

>  <Form> (6)
Free Base

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

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

$$$$
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>  <Mol_ID> (7)
25

>  <Formula> (7)
C18H20N2O3

>  <MolWeight> (7)
312.363

>  <Cat> (7)
S2244

>  <Name> (7)
AR-42 (HDAC-42)

>  <Synonyms> (7)
OSU-HDAC42

>  <Target> (7)
HDAC 

>  <Form> (7)
Free Base

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

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

$$$$
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>  <Mol_ID> (8)
26

>  <Formula> (8)
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>  <MolWeight> (8)
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>  <Cat> (8)
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>  <Name> (8)
PI-103

>  <Synonyms> (8)
N/A

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

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

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

$$$$
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>  <Mol_ID> (9)
27

>  <Formula> (9)
C51H79NO13

>  <MolWeight> (9)
914.17186

>  <Cat> (9)
S1039

>  <Name> (9)
Rapamycin (Sirolimus)

>  <Synonyms> (9)
N/A 

>  <Target> (9)
mTOR 

>  <Form> (9)
Free Base

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

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

$$$$

csChFnd80/10161910362D

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M  END
>  <Mol_ID> (10)
28

>  <Formula> (10)
C28H24ClF3N4O6S

>  <MolWeight> (10)
637.0265696

>  <Cat> (10)
S1040

>  <Name> (10)
Sorafenib Tosylate

>  <Synonyms> (10)
Bay 43-9006 

>  <Target> (10)
VEGFR, PDGFR, Raf

>  <Form> (10)
Tosylate

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

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

$$$$
untitled.cdx
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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)
Others

>  <Form> (11)
Free Base

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

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

$$$$
vorinostat.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (12)
31

>  <Formula> (12)
C14H20N2O3

>  <MolWeight> (12)
264.3202

>  <Cat> (12)
S1047

>  <Name> (12)
Vorinostat (SAHA, MK0683)

>  <Synonyms> (12)
SAHA, MK0683, suberoylanilide hydroxamic acid

>  <Target> (12)
HDAC

>  <Form> (12)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/10161910362D

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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, SNDX-275)

>  <Synonyms> (13)
SNDX-275

>  <Target> (13)
HDAC 

>  <Form> (13)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/10161910362D

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>  <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://www.selleckchem.com/products/Enzastaurin.html

$$$$
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csChFnd80/10161910362D

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M  END
>  <Mol_ID> (15)
38

>  <Formula> (15)
C24H23FN4O3

>  <MolWeight> (15)
434.4628232

>  <Cat> (15)
S1060

>  <Name> (15)
Olaparib (AZD2281, Ku-0059436)

>  <Synonyms> (15)
KU-0059436 

>  <Target> (15)
PARP 

>  <Form> (15)
Free Base

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

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

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (16)
41

>  <Formula> (16)
C23H27N7O3S2

>  <MolWeight> (16)
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RG7321

>  <Target> (16)
PI3K 

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Free Base

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

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

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1.cdx
csChFnd80/10161910362D

 30 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (17)
44

>  <Formula> (17)
C19H21F2N7O2

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417.4125464

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S1072

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>  <Synonyms> (17)
N/A

>  <Target> (17)
PI3K 

>  <Form> (17)
Free Base

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

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

$$$$
1.cdx
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M  END
>  <Mol_ID> (18)
45

>  <Formula> (18)
C19H12Cl2N2O2

>  <MolWeight> (18)
371.21678

>  <Cat> (18)
S1075

>  <Name> (18)
SB 216763

>  <Synonyms> (18)
N/A

>  <Target> (18)
GSK-3 

>  <Form> (18)
Free Base

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

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

$$$$
SB203580.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (19)
46

>  <Formula> (19)
C21H16FN3OS

>  <MolWeight> (19)
377.4346432

>  <Cat> (19)
S1076

>  <Name> (19)
SB 203580

>  <Synonyms> (19)
N/A

>  <Target> (19)
p38 MAPK 

>  <Form> (19)
Free Base

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

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

$$$$
1.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (20)
47

>  <Formula> (20)
C20H14FN3O

>  <MolWeight> (20)
331.3430632

>  <Cat> (20)
S1077

>  <Name> (20)
SB202190 (FHPI)

>  <Synonyms> (20)
N/A

>  <Target> (20)
p38 MAPK 

>  <Form> (20)
Free Base

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

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

$$$$

csChFnd80/10161910362D

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>  <Mol_ID> (21)
48

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C25H23Cl2N5O

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S1078

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MK-2206 dihydrochloride

>  <Synonyms> (21)
N/A

>  <Target> (21)
Akt

>  <Form> (21)
Dihydrochloride

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

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

$$$$
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M  END
>  <Mol_ID> (22)
52

>  <Formula> (22)
C15H14N2O4S

>  <MolWeight> (22)
318.34766

>  <Cat> (22)
S1085

>  <Name> (22)
Belinostat (PXD101)

>  <Synonyms> (22)
N/A 

>  <Target> (22)
HDAC 

>  <Form> (22)
Free Base

>  <CAS> (22)
414864-00-9

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

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

>  <Formula> (23)
C7H5IN2O3

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S1087

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

>  <Synonyms> (23)
SAR240550 

>  <Target> (23)
PARP 

>  <Form> (23)
Free Base

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

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

$$$$
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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://www.selleckchem.com/products/PCI-24781.html

$$$$
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>  <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 

>  <Form> (25)
Free Base

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

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

$$$$
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C22H25N3O3

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NVP-LAQ824

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HDAC 

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Free Base

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

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

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C19H21FN3O5P

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>  <Name> (27)
Rucaparib (AG-014699,PF-01367338) phosphate

>  <Synonyms> (27)
AG-014447 

>  <Target> (27)
PARP 

>  <Form> (27)
Phosphate

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

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

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>  <Mol_ID> (28)
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C19H18N4O2

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GDC-0879

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N/A

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Raf

>  <Form> (28)
Free Base

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

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

$$$$
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>  <Mol_ID> (29)
66

>  <Formula> (29)
C19H17NO3

>  <MolWeight> (29)
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>  <Cat> (29)
S1105

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LY294002

>  <Synonyms> (29)
N/A

>  <Target> (29)
PI3K 

>  <Form> (29)
Free Base

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

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

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

>  <Formula> (30)
C26H19F3N4O

>  <MolWeight> (30)
460.4504696

>  <Cat> (30)
S1106

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

>  <Synonyms> (30)
AR-12 

>  <Target> (30)
PDK-1

>  <Form> (30)
Free Base

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

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

$$$$
U0126-EtOH.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (31)
68

>  <Formula> (31)
C20H22N6OS2

>  <MolWeight> (31)
426.55828

>  <Cat> (31)
S1102

>  <Name> (31)
U0126-EtOH

>  <Synonyms> (31)
N/A

>  <Target> (31)
MEK

>  <Form> (31)
Ethanolate

>  <CAS> (31)
1173097-76-1

>  <URL> (31)
http://www.selleckchem.com/products/U0126.html

$$$$
Everolimus.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (32)
74

>  <Formula> (32)
C53H83NO14

>  <MolWeight> (32)
958.22442

>  <Cat> (32)
S1120

>  <Name> (32)
Everolimus (RAD001)

>  <Synonyms> (32)
Certican, Zortress, Afinitor

>  <Target> (32)
mTOR

>  <Form> (32)
Free Base

>  <CAS> (32)
159351-69-6

>  <URL> (32)
http://www.selleckchem.com/products/Everolimus(RAD001).html

$$$$
726169-73-9.cdx
csChFnd80/10161910362D

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3544-24-9

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918505-84-7

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http://www.selleckchem.com/products/PLX-4720.html

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STAT

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Free Base

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501919-59-1

>  <URL> (36)
http://www.selleckchem.com/products/S31-201.html

$$$$
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663619-89-4

>  <URL> (37)
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167869-21-8

>  <URL> (38)
http://www.selleckchem.com/products/PD-98059.html

$$$$
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csChFnd80/10161910362D

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434.48764

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CUDC-101

>  <Synonyms> (39)
N/A

>  <Target> (39)
HDAC, EGFR, HER2

>  <Form> (39)
Free Base

>  <CAS> (39)
1012054-59-9

>  <URL> (39)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
KU-0063794.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (40)
136

>  <Formula> (40)
C25H31N5O4

>  <MolWeight> (40)
465.54474

>  <Cat> (40)
S1226

>  <Name> (40)
Ku-0063794

>  <Synonyms> (40)
N/A

>  <Target> (40)
mTOR 

>  <Form> (40)
Free Base

>  <CAS> (40)
938440-64-3

>  <URL> (40)
http://www.selleckchem.com/products/KU-0063794.html

$$$$
2-Methoxyestradiol.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (41)
140

>  <Formula> (41)
C19H26O3

>  <MolWeight> (41)
302.40794

>  <Cat> (41)
S1233

>  <Name> (41)
2-Methoxyestradiol

>  <Synonyms> (41)
2-ME2

>  <Target> (41)
HIF

>  <Form> (41)
Free Base

>  <CAS> (41)
362-07-2

>  <URL> (41)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
WYE-354.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (42)
158

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C24H29N7O5

>  <MolWeight> (42)
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S1266

>  <Name> (42)
WYE-354

>  <Synonyms> (42)
N/A

>  <Target> (42)
mTOR 

>  <Form> (42)
Free Base

>  <CAS> (42)
1062169-56-5

>  <URL> (42)
http://www.selleckchem.com/products/WYE-354.html

$$$$
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RO5185426

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Raf 

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918504-65-1

>  <URL> (43)
http://www.selleckchem.com/products/PLX-4032.html

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227

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346.34276

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TG100-115

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N/A

>  <Target> (44)
PI3K

>  <Form> (44)
Free Base

>  <CAS> (44)
677297-51-7

>  <URL> (44)
http://www.selleckchem.com/products/TG100-115.html

$$$$
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csChFnd80/10161910362D

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235

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CHIR-99021 (CT99021) HCl

>  <Synonyms> (45)
N/A

>  <Target> (45)
PI3K/Akt/mTOR

>  <Form> (45)
Hydrochloride

>  <CAS> (45)
252917-06-9 (free base)

>  <URL> (45)
http://www.selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$
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>  <Mol_ID> (46)
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Droxinostat

>  <Synonyms> (46)
N/A

>  <Target> (46)
HDAC 

>  <Form> (46)
Free Base

>  <CAS> (46)
99873-43-5

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

$$$$
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1236699-92-5

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857531-00-1

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http://www.selleckchem.com/products/AT7867.html

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MEK 

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391210-00-7 

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http://www.selleckchem.com/products/PD318088.html

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ATM 

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925701-49-1

>  <URL> (63)
http://www.selleckchem.com/products/KU-60019.html

$$$$
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>  <Target> (64)
p38 MAPK

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Free Base

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285983-48-4

>  <URL> (64)
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$$$$
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    3.6373    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    3.0851    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  2  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (65)
374

>  <Formula> (65)
C5H9NO3S

>  <MolWeight> (65)
163.19486

>  <Cat> (65)
S1623

>  <Name> (65)
Acetylcysteine

>  <Synonyms> (65)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (65)
AChR

>  <Form> (65)
Free Base

>  <CAS> (65)
616-91-1

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

$$$$
ALLOPURINOL (allopurinol).cdx
csChFnd80/10161910362D

 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> (66)
380

>  <Formula> (66)
C5H4N4O

>  <MolWeight> (66)
136.11146

>  <Cat> (66)
S1630

>  <Name> (66)
Allopurinol (Zyloprim)

>  <Synonyms> (66)
Aloprim

>  <Target> (66)
Others

>  <Form> (66)
Free Base

>  <CAS> (66)
315-30-0

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

$$$$
ALOPRIM (allopurinol sodium).cdx
csChFnd80/10161910362D

 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> (67)
381

>  <Formula> (67)
C5H4N4NaO+

>  <MolWeight> (67)
159.10123

>  <Cat> (67)
S1631

>  <Name> (67)
Allopurinol Sodium (Aloprim)

>  <Synonyms> (67)
 Lopurin, Zyloprim, Aloprim

>  <Target> (67)
Others

>  <Form> (67)
Sodium Salt

>  <CAS> (67)
17795-21-0

>  <URL> (67)
http://www.selleckchem.com/products/Allopurinol-Sodium(Aloprim).html

$$$$
Artesunate.cdx
csChFnd80/10161910362D

 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> (68)
391

>  <Formula> (68)
C19H28O8

>  <MolWeight> (68)
384.42082

>  <Cat> (68)
S2265

>  <Name> (68)
Artesunate

>  <Synonyms> (68)
N/A

>  <Target> (68)
STAT

>  <Form> (68)
Free Base

>  <CAS> (68)
88495-63-0

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

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/10161910362D

 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> (69)
422

>  <Formula> (69)
C16H31NaO4

>  <MolWeight> (69)
310.40471

>  <Cat> (69)
S1703

>  <Name> (69)
Divalproex sodium

>  <Synonyms> (69)
Depakote, Epival

>  <Target> (69)
HDAC

>  <Form> (69)
Sodium Salt

>  <CAS> (69)
76584-70-8

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

$$$$
Tangeretin.cdx
csChFnd80/10161910362D

 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
    4.9854    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6185    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6185    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4640    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 21  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (70)
507

>  <Formula> (70)
C20H20O7

>  <MolWeight> (70)
372.3686

>  <Cat> (70)
S2363

>  <Name> (70)
Tangeretin (Tangeritin)

>  <Synonyms> (70)
Tangeritin, Ponkanetin, Pentamethoxyflavone 

>  <Target> (70)
ROS

>  <Form> (70)
Free Base

>  <CAS> (70)
481-53-8

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

$$$$
Indirubin.cdx
csChFnd80/10161910362D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    4.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2683    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5594    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  2  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 11  1  0  0  0  0
 13 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  2  0  0  0  0
M  END
>  <Mol_ID> (71)
527

>  <Formula> (71)
C16H10N2O2

>  <MolWeight> (71)
262.2628

>  <Cat> (71)
S2386

>  <Name> (71)
Indirubin

>  <Synonyms> (71)
N/A

>  <Target> (71)
GSK-3

>  <Form> (71)
Free Base

>  <CAS> (71)
479-41-4 

>  <URL> (71)
http://www.selleckchem.com/products/Indirubin.html

$$$$
Quercetin.cdx
csChFnd80/10161910362D

 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
    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
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   10.8993    6.2903    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
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  8  9  2  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
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
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 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (72)
532

>  <Formula> (72)
C15H10O7

>  <MolWeight> (72)
302.2357

>  <Cat> (72)
S2391

>  <Name> (72)
Quercetin (Sophoretin)

>  <Synonyms> (72)
Meletin, Quercetine

>  <Target> (72)
PI3K, PKC, Src, Sirtuin

>  <Form> (72)
Free Base

>  <CAS> (72)
117-39-5

>  <URL> (72)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

$$$$
AZD8330.cdx
csChFnd80/10161910362D

 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
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
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 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
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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
 16 25  2  0  0  0  0
M  END
>  <Mol_ID> (73)
549

>  <Formula> (73)
C16H17FIN3O4

>  <MolWeight> (73)
461.2267532

>  <Cat> (73)
S2134

>  <Name> (73)
AZD8330

>  <Synonyms> (73)
N/A 

>  <Target> (73)
MEK

>  <Form> (73)
Free Base

>  <CAS> (73)
869357-68-6

>  <URL> (73)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

$$$$
raf265.cdx
csChFnd80/10161910362D

 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
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 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
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 23 18  1  0  0  0  0
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 15 28  1  0  0  0  0
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 30 31  2  0  0  0  0
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 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> (74)
564

>  <Formula> (74)
C24H16F6N6O

>  <MolWeight> (74)
518.4138592

>  <Cat> (74)
S2161

>  <Name> (74)
RAF265 (CHIR-265)

>  <Synonyms> (74)
N/A 

>  <Target> (74)
Raf, VEGFR

>  <Form> (74)
Free Base

>  <CAS> (74)
927880-90-8

>  <URL> (74)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

$$$$

csChFnd80/10161910362D

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HDAC 

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Chloride

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732302-99-7

>  <URL> (75)
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486-35-1

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PARP

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328543-09-5

>  <URL> (77)
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940310-85-0

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>  <URL> (79)
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>  <Mol_ID> (80)
594

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C16H16N6O

>  <MolWeight> (80)
308.33784

>  <Cat> (80)
S2218

>  <Name> (80)
Torkinib (PP242)

>  <Synonyms> (80)
TORKinib 

>  <Target> (80)
mTOR

>  <Form> (80)
Free Base

>  <CAS> (80)
1092351-67-1

>  <URL> (80)
http://www.selleckchem.com/products/PP242.html

$$$$
SB 590885.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (81)
596

>  <Formula> (81)
C27H27N5O2

>  <MolWeight> (81)
453.53558

>  <Cat> (81)
S2220

>  <Name> (81)
SB590885

>  <Synonyms> (81)
GSK2118436 

>  <Target> (81)
Raf

>  <Form> (81)
Free Base

>  <CAS> (81)
405554-55-4 

>  <URL> (81)
http://www.selleckchem.com/products/SB590885.html

$$$$
Andrographolide.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (82)
603

>  <Formula> (82)
C20H30O5

>  <MolWeight> (82)
350.4492

>  <Cat> (82)
S2261

>  <Name> (82)
Andrographolide

>  <Synonyms> (82)
N/A

>  <Target> (82)
NF-¦ÊB

>  <Form> (82)
Free Base

>  <CAS> (82)
5508-58-7

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

$$$$
Asiatic acid.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (83)
607

>  <Formula> (83)
C30H48O5

>  <MolWeight> (83)
488.69912

>  <Cat> (83)
S2266

>  <Name> (83)
Asiatic acid

>  <Synonyms> (83)
N/A

>  <Target> (83)
p38 MAPK

>  <Form> (83)
Free Base

>  <CAS> (83)
464-92-6

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

$$$$
Cryptotanshinone.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (84)
621

>  <Formula> (84)
C19H20O3

>  <MolWeight> (84)
296.3603

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S2285

>  <Name> (84)
Cryptotanshinone

>  <Synonyms> (84)
N/A

>  <Target> (84)
STAT

>  <Form> (84)
Free Base

>  <CAS> (84)
35825-57-1

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

$$$$
Honokiol.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (85)
640

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C18H18O2

>  <MolWeight> (85)
266.33432

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S2310

>  <Name> (85)
Honokiol

>  <Synonyms> (85)
N/A

>  <Target> (85)
Akt, MEK

>  <Form> (85)
Free Base

>  <CAS> (85)
35354-74-6

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

$$$$
Indole-3-carbinol.cdx
csChFnd80/10161910362D

 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
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>  <Mol_ID> (86)
643

>  <Formula> (86)
C9H9NO

>  <MolWeight> (86)
147.17386

>  <Cat> (86)
S2313

>  <Name> (86)
Indole-3-carbinol

>  <Synonyms> (86)
N/A

>  <Target> (86)
NF-¦ÊB

>  <Form> (86)
Free Base

>  <CAS> (86)
700-06-1

>  <URL> (86)
http://www.selleckchem.com/products/Indole-3-carbinol.html

$$$$
Magnolol.cdx
csChFnd80/10161910362D

 20 21  0  0  0  0  0  0  0  0999 V2000
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   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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
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M  END
>  <Mol_ID> (87)
649

>  <Formula> (87)
C18H18O2

>  <MolWeight> (87)
266.33432

>  <Cat> (87)
S2321

>  <Name> (87)
Magnolol

>  <Synonyms> (87)
2,2'-Bichavicol

>  <Target> (87)
NF-¦ÊB

>  <Form> (87)
Free Base

>  <CAS> (87)
528-43-8

>  <URL> (87)
http://www.selleckchem.com/products/Magnolol(2,2-Bichavicol).html

$$$$
Myricetin.cdx
csChFnd80/10161910362D

 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
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>  <Mol_ID> (88)
652

>  <Formula> (88)
C15H10O8

>  <MolWeight> (88)
318.2351

>  <Cat> (88)
S2326

>  <Name> (88)
Myricetin (Cannabiscetin)

>  <Synonyms> (88)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (88)
NULL

>  <Form> (88)
Free Base

>  <CAS> (88)
529-44-2

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

$$$$
Myricitrin.cdx
csChFnd80/10161910362D

 33 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (89)
653

>  <Formula> (89)
C21H20O12

>  <MolWeight> (89)
464.3763

>  <Cat> (89)
S2327

>  <Name> (89)
Myricitrin (Myricitrine)

>  <Synonyms> (89)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (89)
PKC

>  <Form> (89)
Free Base

>  <CAS> (89)
17912-87-7

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

$$$$
Parthenolide.cdx
csChFnd80/10161910362D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    2.4249    6.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    2.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0183    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    1.5157    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
  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  1  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (90)
664

>  <Formula> (90)
C15H20O3

>  <MolWeight> (90)
248.3175

>  <Cat> (90)
S2341

>  <Name> (90)
Parthenolide ((-)-Parthenolide)

>  <Synonyms> (90)
N/A 

>  <Target> (90)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (90)
Free Base

>  <CAS> (90)
20554-84-1

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

$$$$
Dihydromyricetin.cdx
csChFnd80/10161910362D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    6.2903    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
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  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  1  0  0  0  0
  9 10  1  0  0  0  0
 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  1  0  0  0
  9 15  1  6  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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 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (91)
674

>  <Formula> (91)
C15H12O8

>  <MolWeight> (91)
320.25098

>  <Cat> (91)
S2399

>  <Name> (91)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (91)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (91)
Others

>  <Form> (91)
Free Base

>  <CAS> (91)
27200-12-0

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

$$$$
Chrysophanic acid.cdx
csChFnd80/10161910362D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (92)
678

>  <Formula> (92)
C15H10O4

>  <MolWeight> (92)
254.2375

>  <Cat> (92)
S2406

>  <Name> (92)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (92)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (92)
EGFR, mTOR

>  <Form> (92)
Free Base

>  <CAS> (92)
481-74-3

>  <URL> (92)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
GSK2126458.cdx
csChFnd80/10161910362D

 36 40  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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 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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (93)
719

>  <Formula> (93)
C25H17F2N5O3S

>  <MolWeight> (93)
505.4959864

>  <Cat> (93)
S2658

>  <Name> (93)
Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (93)
N/A 

>  <Target> (93)
PI3K, mTOR

>  <Form> (93)
Free Base

>  <CAS> (93)
1086062-66-9 

>  <URL> (93)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
CAL-1011.cdx
csChFnd80/10161910362D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (94)
750

>  <Formula> (94)
C22H18FN7O

>  <MolWeight> (94)
415.4230232

>  <Cat> (94)
S2226

>  <Name> (94)
CAL-101 (GS-1101)

>  <Synonyms> (94)
CAL101

>  <Target> (94)
PI3K 

>  <Form> (94)
Free Base

>  <CAS> (94)
870281-82-6

>  <URL> (94)
http://www.selleckchem.com/products/CAL-101.html

$$$$
PIK-294.cdx
csChFnd80/10161910362D

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PI3K 

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Free Base

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900185-02-6

>  <URL> (95)
http://www.selleckchem.com/products/PIK-294.html

$$$$
Neohesperidin.cdx
csChFnd80/10161910362D

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755

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C28H34O15

>  <MolWeight> (96)
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S2332

>  <Name> (96)
Neohesperidin

>  <Synonyms> (96)
N/A

>  <Target> (96)
ROS

>  <Form> (96)
Free Base

>  <CAS> (96)
13241-33-3 

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

$$$$
Phenformin hydrochloride.cdx
csChFnd80/10161910362D

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>  <Synonyms> (97)
N/A

>  <Target> (97)
AMPK

>  <Form> (97)
Hydrochloride 

>  <CAS> (97)
834-28-6

>  <URL> (97)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

$$$$
OSI-027.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (98)
764

>  <Formula> (98)
C21H22N6O3

>  <MolWeight> (98)
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>  <Cat> (98)
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OSI-027

>  <Synonyms> (98)
N/A 

>  <Target> (98)
mTOR

>  <Form> (98)
Free Base

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

>  <URL> (98)
http://www.selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
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1092788-83-4

>  <URL> (99)
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PI3K

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Free Base

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944396-07-0

>  <URL> (100)
http://www.selleckchem.com/products/BKM-120.html

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1035555-63-5

>  <URL> (101)
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>  <URL> (102)
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1062159-35-6 

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http://www.selleckchem.com/products/way-600.html

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mTOR

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1144068-46-1

>  <URL> (109)
http://www.selleckchem.com/products/wye-125132.html

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601514-19-6

>  <URL> (110)
http://www.selleckchem.com/products/TWS119.html

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Diferuloylmethane, Natural Yellow 3, C.I. 75300 

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NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (112)
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>  <CAS> (112)
458-37-7

>  <URL> (112)
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871700-17-3

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http://www.selleckchem.com/products/gsk1120212-(jtp-74057).html

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AMPK

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844499-71-4

>  <URL> (114)
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208260-29-1

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264218-23-7

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866

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C20H22ClN3O2

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Tubastatin A hydrochloride

>  <Synonyms> (121)
N/A

>  <Target> (121)
HDAC

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Hydrochloride

>  <CAS> (121)
1310693-92-5

>  <URL> (121)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

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PF-04691502

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N/A

>  <Target> (122)
mTOR, PI3K, Akt

>  <Form> (122)
Free Base

>  <CAS> (122)
1013101-36-4 

>  <URL> (122)
http://www.selleckchem.com/products/pf-04691502.html

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C19H30O5

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Idebenone

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N/A

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ROS

>  <Form> (123)
Free Base

>  <CAS> (123)
58186-27-9

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

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AZ628

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Raf 

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Free Base

>  <CAS> (124)
878739-06-1

>  <URL> (124)
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M  END
>  <Mol_ID> (125)
945

>  <Formula> (125)
C20H17Cl2N9O2

>  <MolWeight> (125)
486.31408

>  <Cat> (125)
S2745

>  <Name> (125)
CHIR-98014

>  <Synonyms> (125)
N/A

>  <Target> (125)
GSK-3

>  <Form> (125)
Free Base

>  <CAS> (125)
252935-94-7

>  <URL> (125)
http://www.selleckchem.com/products/chir-98014.html

$$$$
NVP-BGT226.cdx
csChFnd80/10161910362D

 47 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (126)
950

>  <Formula> (126)
C32H29F3N6O6

>  <MolWeight> (126)
650.6044696

>  <Cat> (126)
S2749

>  <Name> (126)
NVP-BGT226

>  <Synonyms> (126)
N/A 

>  <Target> (126)
PI3K, mTOR

>  <Form> (126)
Maleate

>  <CAS> (126)
1245537-68-1

>  <URL> (126)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
csChFnd80/10161910362D

 35 40  0  0  0  0  0  0  0  0999 V2000
    3.5000   13.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (127)
952

>  <Formula> (127)
C25H21N7O3

>  <MolWeight> (127)
467.47934

>  <Cat> (127)
S1219

>  <Name> (127)
YM201636

>  <Synonyms> (127)
N/A

>  <Target> (127)
PI3K 

>  <Form> (127)
Free Base

>  <CAS> (127)
371942-69-7

>  <URL> (127)
http://www.selleckchem.com/products/ym201636.html

$$$$
3-Methyladenine.cdx
csChFnd80/10161910362D

 11 12  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (128)
957

>  <Formula> (128)
C6H7N5

>  <MolWeight> (128)
149.15328

>  <Cat> (128)
S2767

>  <Name> (128)
3-Methyladenine (3-MA)

>  <Synonyms> (128)
3-MA

>  <Target> (128)
PI3K

>  <Form> (128)
Free Base

>  <CAS> (128)
5142-23-4

>  <URL> (128)
http://www.selleckchem.com/products/3-methyladenine.html

$$$$
BX-795.cdx
csChFnd80/10161910362D

 34 37  0  0  0  0  0  0  0  0999 V2000
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PDK-1 

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702674-56-4

>  <URL> (130)
http://www.selleckchem.com/products/bx-912.html

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PI3K

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Free Base

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1217486-61-7

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http://www.selleckchem.com/products/byl719.html

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112522-64-2

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54-21-7

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http://www.selleckchem.com/products/sodium-salicylate.html

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133053-19-7

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HIF

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Free Base

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931398-72-0

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http://www.selleckchem.com/products/iox2.html

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TAK 715

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N/A 

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p38 MAPK

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Free Base

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303162-79-0

>  <URL> (149)
http://www.selleckchem.com/products/tak-715.html

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327036-89-5 

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http://www.selleckchem.com/products/tdzd-8.html

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H 89 2HCl

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S6 Kinase

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130964-39-5

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2627-69-2

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   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
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
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  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 15  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (157)
1282

>  <Formula> (157)
C22H20N4O

>  <MolWeight> (157)
356.4204

>  <Cat> (157)
S4902

>  <Name> (157)
QNZ (EVP4593)

>  <Synonyms> (157)
N/A

>  <Target> (157)
NF-¦ÊB

>  <Form> (157)
Free Base

>  <CAS> (157)
545380-34-5

>  <URL> (157)
http://www.selleckchem.com/products/qnz-evp4593.html

$$$$
Aminosalicylate sodium.cdx
csChFnd80/10161910362D

 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
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    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
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  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> (158)
1306

>  <Formula> (158)
C7H6NNaO3

>  <MolWeight> (158)
175.11721

>  <Cat> (158)
S4073

>  <Name> (158)
Sodium 4-Aminosalicylate

>  <Synonyms> (158)
N/A

>  <Target> (158)
NF-¦ÊB

>  <Form> (158)
Sodium Salt

>  <CAS> (158)
133-10-8

>  <URL> (158)
http://www.selleckchem.com/products/aminosalicylate-sodium.html

$$$$
Sodium nitrite.cdx
csChFnd80/10161910362D

  4  2  0  0  0  0  0  0  0  0999 V2000
    2.2103    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4227    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    0.0024    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
  2  3  2  0  0  0  0
M  END
>  <Mol_ID> (159)
1316

>  <Formula> (159)
NNaO2

>  <MolWeight> (159)
68.99527

>  <Cat> (159)
S4074

>  <Name> (159)
Sodium Nitrite

>  <Synonyms> (159)
N/A

>  <Target> (159)
Others

>  <Form> (159)
Sodium Salt

>  <CAS> (159)
7632-00-0

>  <URL> (159)
http://www.selleckchem.com/products/sodium-nitrite.html

$$$$
sodium phenylbutyrate.cdx
csChFnd80/10161910362D

 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
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  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
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  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (160)
1334

>  <Formula> (160)
C10H11NaO2

>  <MolWeight> (160)
186.18291

>  <Cat> (160)
S4125

>  <Name> (160)
Sodium Phenylbutyrate

>  <Synonyms> (160)
N/A

>  <Target> (160)
HDAC

>  <Form> (160)
Sodium Salt

>  <CAS> (160)
1716-12-7

>  <URL> (160)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

$$$$
nifuroxazide.cdx
csChFnd80/10161910362D

 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
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    1.2745    1.3875    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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  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> (161)
1369

>  <Formula> (161)
C12H9N3O5

>  <MolWeight> (161)
275.21696

>  <Cat> (161)
S4182

>  <Name> (161)
Nifuroxazide

>  <Synonyms> (161)
N/A

>  <Target> (161)
STAT

>  <Form> (161)
Free Base

>  <CAS> (161)
965-52-6

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

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/10161910362D

 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
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    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
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    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
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    0.0000    7.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  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
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 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> (162)
1380

>  <Formula> (162)
C16H19N3O4S

>  <MolWeight> (162)
349.40476

>  <Cat> (162)
S2693

>  <Name> (162)
Resminostat (RAS2410)

>  <Synonyms> (162)
4SC-201, BYK408740

>  <Target> (162)
HDAC

>  <Form> (162)
Free Base

>  <CAS> (162)
864814-88-0

>  <URL> (162)
http://www.selleckchem.com/products/resminostat-ras2410.html

$$$$
VX-745.cdx
csChFnd80/10161910362D

 28 31  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
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    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
    7.2620    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (163)
1463

>  <Formula> (163)
C19H9Cl2F2N3OS

>  <MolWeight> (163)
436.2620664

>  <Cat> (163)
S1458

>  <Name> (163)
VX-745

>  <Synonyms> (163)
N/A

>  <Target> (163)
p38 MAPK 

>  <Form> (163)
Free Base

>  <CAS> (163)
209410-46-8

>  <URL> (163)
http://www.selleckchem.com/products/VX-745.html

$$$$
untitled.cdx
csChFnd80/10161910362D

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C13H16N6O4

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Triciribine

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N/A

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Akt

>  <Form> (164)
Free Base

>  <CAS> (164)
35943-35-2

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

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/10161910362D

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>  <Formula> (165)
C19H20F3IN2O5S

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572.3371796

>  <Cat> (165)
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>  <Name> (165)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (165)
BAY 869766

>  <Target> (165)
MEK

>  <Form> (165)
Free Base

>  <CAS> (165)
923032-37-5

>  <URL> (165)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
Dicoumarol.cdx
csChFnd80/10161910362D

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>  <Formula> (166)
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>  <MolWeight> (166)
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Dicoumarol

>  <Synonyms> (166)
Dicumarol

>  <Target> (166)
Others

>  <Form> (166)
Free Base

>  <CAS> (166)
66-76-2

>  <URL> (166)
http://www.selleckchem.com/products/dicoumarol.html

$$$$
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M  END
>  <Mol_ID> (167)
1535

>  <Formula> (167)
C44H69NO12

>  <MolWeight> (167)
804.01816

>  <Cat> (167)
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>  <Name> (167)
Tacrolimus (FK506)

>  <Synonyms> (167)
FR900506

>  <Target> (167)
mTOR

>  <Form> (167)
Free Base

>  <CAS> (167)
104987-11-3

>  <URL> (167)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (168)
1538

>  <Formula> (168)
C56H87NO16

>  <MolWeight> (168)
1030.28708

>  <Cat> (168)
S1044

>  <Name> (168)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (168)
N/A

>  <Target> (168)
mTOR

>  <Form> (168)
Free Base

>  <CAS> (168)
162635-04-3

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

$$$$
PF-2341066.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (169)
1550

>  <Formula> (169)
C21H22Cl2FN5O

>  <MolWeight> (169)
450.3366832

>  <Cat> (169)
S1068

>  <Name> (169)
Crizotinib (PF-02341066)

>  <Synonyms> (169)
N/A 

>  <Target> (169)
c-Met, ALK

>  <Form> (169)
Free Base

>  <CAS> (169)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (169)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
S1096-JNJ26481585.cdx
csChFnd80/10161910362D

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    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> (170)
1559

>  <Formula> (170)
C21H28Cl2N6O2

>  <MolWeight> (170)
467.39202

>  <Cat> (170)
S1096

>  <Name> (170)
Quisinostat (JNJ-26481585) 2HCl

>  <Synonyms> (170)
N/A

>  <Target> (170)
HDAC

>  <Form> (170)
Dihydrochloride

>  <CAS> (170)
875320-31-3

>  <URL> (170)
http://www.selleckchem.com/products/JNJ-26481585.html

$$$$
S1263.cdx
csChFnd80/10161910362D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4234    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6359    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    5.8834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6359    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6981    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9105    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9105    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1229    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3354    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3354    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1229    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5478    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5478    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7602    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9727    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9727    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7602    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5478    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3354    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   18.1851    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.6941    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0635    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7635    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8268    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1559    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2834    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
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  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 24  2  0  0  0  0
 24 18  1  0  0  0  0
 24 25  1  0  0  0  0
 22 26  1  0  0  0  0
 19 27  1  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 19  2  0  0  0  0
 29 31  1  0  0  0  0
  7 32  3  0  0  0  0
M  END
>  <Mol_ID> (171)
1562

>  <Formula> (171)
C22H18Cl2N8

>  <MolWeight> (171)
465.33792

>  <Cat> (171)
S1263

>  <Name> (171)
CHIR-99021 (CT99021)

>  <Synonyms> (171)
N/A

>  <Target> (171)
GSK-3

>  <Form> (171)
Free Base

>  <CAS> (171)
252917-06-9

>  <URL> (171)
http://www.selleckchem.com/products/CHIR-99021.html

$$$$
6-Benzylaminopurine.cdx
csChFnd80/10161910362D

 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> (172)
1571

>  <Formula> (172)
C12H11N5

>  <MolWeight> (172)
225.24924

>  <Cat> (172)
S4511

>  <Name> (172)
6-Benzylaminopurine

>  <Synonyms> (172)
N/A

>  <Target> (172)
Others

>  <Form> (172)
Free Base

>  <CAS> (172)
1214-39-7

>  <URL> (172)
http://www.selleckchem.com/products/6-benzylaminopurine.html

$$$$
S4580 Hydroquinone.cdx
csChFnd80/10161910362D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.2042    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    3.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1880    5.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4409    2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0162    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2367    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2529    0.0000    0.0000 O   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
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (173)
1626

>  <Formula> (173)
C6H6O2

>  <MolWeight> (173)
110.11064

>  <Cat> (173)
S4580

>  <Name> (173)
Hydroquinone

>  <Synonyms> (173)
Quinol, 1,4-Benzenediol, 1,4-Dihydroxybenzene, HQ

>  <Target> (173)
ROS

>  <Form> (173)
Free Base

>  <CAS> (173)
123-31-9

>  <URL> (173)
http://www.selleckchem.com/products/hydroquinone.html

$$$$
S4603 Gallic acid.cdx
csChFnd80/10161910362D

 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> (174)
1646

>  <Formula> (174)
C7H6O5

>  <MolWeight> (174)
170.11954

>  <Cat> (174)
S4603

>  <Name> (174)
Gallic acid

>  <Synonyms> (174)
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid

>  <Target> (174)
ROS

>  <Form> (174)
Free Base

>  <CAS> (174)
149-91-7

>  <URL> (174)
http://www.selleckchem.com/products/gallic-acid.html

$$$$
S4715 Benzamide.cdx
csChFnd80/10161910362D

  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> (175)
1707

>  <Formula> (175)
C7H7NO

>  <MolWeight> (175)
121.13658

>  <Cat> (175)
S4715

>  <Name> (175)
Benzamide

>  <Synonyms> (175)
Sulfabenzamide|Sulfabenzid|Sulfabenzide|Sulfabenzoylamide|N-Sulfamylbenzamide

>  <Target> (175)
Others

>  <Form> (175)
Free Base

>  <CAS> (175)
55-21-0

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

$$$$
S4710 Picolinamide.cdx
csChFnd80/10161910362D

  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> (176)
1716

>  <Formula> (176)
C6H6N2O

>  <MolWeight> (176)
122.12464

>  <Cat> (176)
S4710

>  <Name> (176)
Picolinamide

>  <Synonyms> (176)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (176)
PARP

>  <Form> (176)
Free Base

>  <CAS> (176)
1452-77-3

>  <URL> (176)
http://www.selleckchem.com/products/picolinamide.html

$$$$
S4723 (-)Epicatechin.cdx
csChFnd80/10161910362D

 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
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M  END
>  <Mol_ID> (177)
1717

>  <Formula> (177)
C15H14O6

>  <MolWeight> (177)
290.26806

>  <Cat> (177)
S4723

>  <Name> (177)
(-)Epicatechin

>  <Synonyms> (177)
L-Epicatechin, (-)-Epicatechol

>  <Target> (177)
Others

>  <Form> (177)
Free Base

>  <CAS> (177)
490-46-0

>  <URL> (177)
http://www.selleckchem.com/products/-epicatechin.html

$$$$
MK4827.cdx
csChFnd80/10161910362D

 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
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    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  2  0  0  0  0
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  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
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 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> (178)
1721

>  <Formula> (178)
C19H20N4O

>  <MolWeight> (178)
320.3883

>  <Cat> (178)
S2741

>  <Name> (178)
MK-4827(Niraparib)

>  <Synonyms> (178)
N/A

>  <Target> (178)
PARP

>  <Form> (178)
Free Base

>  <CAS> (178)
1038915-60-4

>  <URL> (178)
http://www.selleckchem.com/products/mk-4827.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/10161910362D

 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
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   13.0965   15.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6611   16.4799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.9012    8.5975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.9462    9.7498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0079   10.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6611   13.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9202    9.7617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
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  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
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  7 15  1  1  0  0  0
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 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
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 23 29  1  0  0  0  0
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 24 30  1  0  0  0  0
 26 31  1  1  0  0  0
 26 32  1  0  0  0  0
 27 33  1  1  0  0  0
 27 32  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  1  0  0  0  0
 29 36  1  1  0  0  0
 30 34  1  0  0  0  0
 31 37  1  0  0  0  0
 32 38  1  6  0  0  0
 34 39  1  0  0  0  0
 34 67  1  6  0  0  0
 35 40  1  0  0  0  0
 41 37  1  1  0  0  0
 39 42  1  0  0  0  0
 39 43  1  1  0  0  0
 40 44  1  6  0  0  0
 40 42  1  0  0  0  0
 41 45  1  0  0  0  0
 41 46  1  0  0  0  0
 42 47  1  1  0  0  0
 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
 48 52  1  1  0  0  0
 49 53  1  1  0  0  0
 49 51  1  0  0  0  0
 51 54  1  6  0  0  0
 55 54  1  1  0  0  0
 55 56  1  0  0  0  0
 55 57  1  0  0  0  0
 56 58  1  0  0  0  0
 56 59  1  6  0  0  0
 57 60  1  0  0  0  0
 58 61  1  0  0  0  0
 58 62  1  6  0  0  0
 60 63  1  1  0  0  0
 60 61  1  0  0  0  0
 61 64  1  1  0  0  0
 39 68  1  6  0  0  0
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 52 70  1  0  0  0  0
M  END
>  <Mol_ID> (179)
1764

>  <Formula> (179)
C48H78O19

>  <MolWeight> (179)
959.12152

>  <Cat> (179)
S3616

>  <Name> (179)
Asiaticoside

>  <Synonyms> (179)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (179)
Others

>  <Form> (179)
free base

>  <CAS> (179)
16830-15-2

>  <URL> (179)
http://www.selleckchem.com/products/asiaticoside.html

$$$$
S3632 Trichloroisocyanuric acid.cdx
csChFnd80/10161910362D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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 Cl  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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   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
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  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  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (180)
1766

>  <Formula> (180)
C3Cl3N3O3

>  <MolWeight> (180)
232.4094

>  <Cat> (180)
S3632

>  <Name> (180)
Trichloroisocyanuric acid

>  <Synonyms> (180)
N/A

>  <Target> (180)
Others

>  <Form> (180)
free base

>  <CAS> (180)
87-90-1

>  <URL> (180)
http://www.selleckchem.com/products/trichloroisocyanuric-acid.html

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/10161910362D

  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
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    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
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  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> (181)
1767

>  <Formula> (181)
C5H12N2S2

>  <MolWeight> (181)
164.29218

>  <Cat> (181)
S3633

>  <Name> (181)
Pyrrolidinedithiocarbamate ammonium

>  <Synonyms> (181)
APDC, PDTC

>  <Target> (181)
NF-¦ÊB

>  <Form> (181)
ammonium salt

>  <CAS> (181)
5108-96-3

>  <URL> (181)
http://www.selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/10161910362D

 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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  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
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (182)
1789

>  <Formula> (182)
C11H8O3

>  <MolWeight> (182)
188.17942

>  <Cat> (182)
S3661

>  <Name> (182)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (182)
N/A

>  <Target> (182)
PKC

>  <Form> (182)
free base

>  <CAS> (182)
2348-82-5

>  <URL> (182)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3942 Cardamonin.cdx
csChFnd80/10161910362D

 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
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (183)
1882

>  <Formula> (183)
C16H14O4

>  <MolWeight> (183)
270.27996

>  <Cat> (183)
S3867

>  <Name> (183)
Cardamoni

>  <Synonyms> (183)
Alpinetin chalcone, cardamomin

>  <Target> (183)
NF-¦ÊB,Calcium Channel

>  <Form> (183)
free base

>  <CAS> (183)
 19309-14-9

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/10161910362D

 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> (184)
1895

>  <Formula> (184)
C19H20O5

>  <MolWeight> (184)
328.3591

>  <Cat> (184)
S3819

>  <Name> (184)
Decursinol angelate

>  <Synonyms> (184)
N/A

>  <Target> (184)
PKC

>  <Form> (184)
free base

>  <CAS> (184)
130848-06-5

>  <URL> (184)
http://www.selleckchem.com/products/decursinol-angelate.html

$$$$
S3838 Carnosic acid.cdx
csChFnd80/10161910362D

 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> (185)
1909

>  <Formula> (185)
C20H28O4

>  <MolWeight> (185)
332.43392

>  <Cat> (185)
S3838

>  <Name> (185)
Carnosic acid

>  <Synonyms> (185)
salvin

>  <Target> (185)
Others

>  <Form> (185)
free base

>  <CAS> (185)
639426

>  <URL> (185)
http://www.selleckchem.com/products/carnosic-acid.html

$$$$
S3840 Baohuoside I.cdx
csChFnd80/10161910362D

 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
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2746    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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  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> (186)
1910

>  <Formula> (186)
C27H30O10

>  <MolWeight> (186)
514.5211

>  <Cat> (186)
S3840

>  <Name> (186)
Baohuoside I

>  <Synonyms> (186)
Icariside II

>  <Target> (186)
ROS

>  <CAS> (186)
113558-15-9

>  <URL> (186)
http://www.selleckchem.com/products/baohuoside-i.html

$$$$
S3885 Pyrogallol.cdx
csChFnd80/10161910362D

  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
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    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
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  1  4  1  0  0  0  0
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  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (187)
1957

>  <Formula> (187)
C6H6O3

>  <MolWeight> (187)
126.11004

>  <Cat> (187)
S3885

>  <Name> (187)
Pyrogallol

>  <Synonyms> (187)
1,2,3-trihydroxybenzene

>  <Target> (187)
ROS

>  <Form> (187)
free base

>  <CAS> (187)
87-66-1

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

$$$$
S3874 Curcumenol.cdx
csChFnd80/10161910362D

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    4.7647    4.3230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4640    4.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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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    0.0000    1.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9613    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
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  8  3  1  6  0  0  0
  4  9  1  0  0  0  0
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  9 15  2  0  0  0  0
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M  END
>  <Mol_ID> (188)
1965

>  <Formula> (188)
C15H22O2

>  <MolWeight> (188)
234.33398

>  <Cat> (188)
S3874

>  <Name> (188)
Curcumenol

>  <Synonyms> (188)
N/A

>  <Target> (188)
NF-¦ÊB

>  <Form> (188)
free base

>  <CAS> (188)
19431-84-6

>  <URL> (188)
http://www.selleckchem.com/products/curcumenol.html

$$$$
Sodium valproate.cdx
csChFnd80/10161910362D

 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> (189)
2221

>  <Formula> (189)
C8H15NaO2

>  <MolWeight> (189)
166.19327

>  <Cat> (189)
S1168

>  <Name> (189)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (189)
N/A 

>  <Target> (189)
GABA Receptor, HDAC

>  <CAS> (189)
1069-66-5, 99-66-1 (FREE BASE)

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

$$$$
GW 5074.cdx
csChFnd80/10161910362D

 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
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    4.9646    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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 17 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (190)
2233

>  <Formula> (190)
C15H8Br2INO2

>  <MolWeight> (190)
520.94199

>  <Cat> (190)
S2872

>  <Name> (190)
GW5074

>  <Synonyms> (190)
N/A

>  <Target> (190)
Raf

>  <Form> (190)
free base

>  <CAS> (190)
220904-83-6

>  <URL> (190)
http://selleckchem.com/products/gw5074.html

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/10161910362D

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    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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M  END
>  <Mol_ID> (191)
2241

>  <Formula> (191)
C15H14O6

>  <MolWeight> (191)
290.26806

>  <Cat> (191)
S4722

>  <Name> (191)
(+)-Catechin

>  <Synonyms> (191)
Cianidanol, Catechinic acid, Catechuic acid

>  <Target> (191)
Others

>  <Form> (191)
Free Base

>  <CAS> (191)
154-23-4

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

$$$$
untitled.cdx
csChFnd80/10161910362D

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   19.3990    2.1000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (192)
2250

>  <Formula> (192)
C21H46NO4P

>  <MolWeight> (192)
407.568001

>  <Cat> (192)
S3056

>  <Name> (192)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (192)
N/A

>  <Target> (192)
Akt

>  <Form> (192)
Free Base

>  <CAS> (192)
58066-85-6

>  <URL> (192)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
NU7026.cdx
csChFnd80/10161910362D

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    3.6473    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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2323

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RG7603

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mTOR

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Free Base

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1207360-89-1

>  <URL> (202)
https://www.selleckchem.com/products/gdc-0349.html

$$$$
AZD 2461.cdx
csChFnd80/10161910362D

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2324

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C22H22FN3O3

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S7029

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AZD2461

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N/A

>  <Target> (203)
PARP

>  <Form> (203)
Free Base

>  <CAS> (203)
1174043-16-3

>  <URL> (203)
https://www.selleckchem.com/products/azd2461.html

$$$$
untitled.cdx
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>  <Mol_ID> (204)
2329

>  <Formula> (204)
C21H16N6O2S2

>  <MolWeight> (204)
448.52074

>  <Cat> (204)
S1118

>  <Name> (204)
XL147 analogue

>  <Synonyms> (204)
SAR245408

>  <Target> (204)
PI3K 

>  <Form> (204)
Free Base

>  <CAS> (204)
956958-53-5

>  <URL> (204)
http://www.selleckchem.com/products/XL147.html

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (205)
2333

>  <Formula> (205)
C16H15BrClN5O4S

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488.7434

>  <Cat> (205)
S1205

>  <Name> (205)
PIK-75 

>  <Synonyms> (205)
N/A

>  <Target> (205)
PI3K, DNA-PK

>  <Form> (205)
Hydrochloride

>  <CAS> (205)
372196-77-5

>  <URL> (205)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
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M  END
>  <Mol_ID> (206)
2338

>  <Formula> (206)
C25H52NO4P

>  <MolWeight> (206)
461.658441

>  <Cat> (206)
S1037

>  <Name> (206)
Perifosine (KRX-0401)

>  <Synonyms> (206)
NSC639966

>  <Target> (206)
Akt

>  <Form> (206)
Free Base

>  <CAS> (206)
157716-52-4

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

$$$$
bms-707035.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (207)
2350

>  <Formula> (207)
C18H11N3O2S

>  <MolWeight> (207)
333.36384

>  <Cat> (207)
S1360

>  <Name> (207)
GSK1059615

>  <Synonyms> (207)
N/A

>  <Target> (207)
PI3K, mTOR

>  <Form> (207)
Free Base

>  <CAS> (207)
958852-01-2

>  <URL> (207)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
LY2228820.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (208)
2358

>  <Formula> (208)
C26H37FN6O6S2

>  <MolWeight> (208)
612.7369832

>  <Cat> (208)
S1494

>  <Name> (208)
LY2228820

>  <Synonyms> (208)
N/A

>  <Target> (208)
p38 MAPK

>  <Form> (208)
Dimesylate

>  <CAS> (208)
862507-23-1

>  <URL> (208)
http://www.selleckchem.com/products/LY2228820.html

$$$$
Sodium butyrate.cdx
csChFnd80/10161910362D

  7  5  0  0  0  0  0  0  0  0999 V2000
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  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (209)
2379

>  <Formula> (209)
C4H7NaO2

>  <MolWeight> (209)
110.08695

>  <Cat> (209)
S1999

>  <Name> (209)
Sodium butyrate

>  <Synonyms> (209)
Butyric acid sodium salt

>  <Target> (209)
HDAC

>  <Form> (209)
Sodium Salt

>  <CAS> (209)
156-54-7

>  <URL> (209)
http://www.selleckchem.com/products/Sodium-butyrate.html

$$$$
untitled.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (210)
2399

>  <Formula> (210)
C19H12F4N4O2

>  <MolWeight> (210)
404.3177928

>  <Cat> (210)
S6005

>  <Name> (210)
VX-702

>  <Synonyms> (210)
N/A

>  <Target> (210)
p38 MAPK 

>  <Form> (210)
Free Base

>  <CAS> (210)
745833-23-2

>  <URL> (210)
http://www.selleckchem.com/products/VX-702.html

$$$$
PK-1587.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (211)
2405

>  <Formula> (211)
C32H41N9O4

>  <MolWeight> (211)
615.72584

>  <Cat> (211)
S2628

>  <Name> (211)
PF-05212384 (PKI-587)

>  <Synonyms> (211)
N/A 

>  <Target> (211)
mTOR, PI3K

>  <Form> (211)
Free Base

>  <CAS> (211)
1197160-78-3

>  <URL> (211)
http://www.selleckchem.com/products/pki587.html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/10161910362D

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>  <Mol_ID> (212)
2409

>  <Formula> (212)
C25H19NO3S

>  <MolWeight> (212)
413.48826

>  <Cat> (212)
S2638

>  <Name> (212)
NU7441(KU-57788)

>  <Synonyms> (212)
N/A 

>  <Target> (212)
DNA-PK, PI3K

>  <Form> (212)
Free Base

>  <CAS> (212)
503468-95-9 

>  <URL> (212)
http://www.selleckchem.com/products/nu7441.html

$$$$
Torin 1.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (213)
2434

>  <Formula> (213)
C35H28F3N5O2

>  <MolWeight> (213)
607.6243296

>  <Cat> (213)
S2827

>  <Name> (213)
Torin 1

>  <Synonyms> (213)
N/A 

>  <Target> (213)
mTOR

>  <Form> (213)
Free Base

>  <CAS> (213)
1222998-36-8

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

$$$$
TG 100713.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (214)
2439

>  <Formula> (214)
C12H10N6O

>  <MolWeight> (214)
254.2474

>  <Cat> (214)
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>  <Name> (214)
TG 100713

>  <Synonyms> (214)
N/A

>  <Target> (214)
PI3K

>  <Form> (214)
Free Base

>  <CAS> (214)
925705-73-3

>  <URL> (214)
http://www.selleckchem.com/products/tg-100713.html

$$$$
Scriptaid (GCK 1026).cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (215)
2444

>  <Formula> (215)
C18H18N2O4

>  <MolWeight> (215)
326.34652

>  <Cat> (215)
S8043

>  <Name> (215)
Scriptaid 

>  <Synonyms> (215)
Scriptide, GCK 1026

>  <Target> (215)
HDAC

>  <Form> (215)
Free Base

>  <CAS> (215)
287383-59-9

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

$$$$
CGK 733.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (216)
2456

>  <Formula> (216)
C23H18Cl3FN4O3S

>  <MolWeight> (216)
555.8364232

>  <Cat> (216)
S7136

>  <Name> (216)
CGK 733

>  <Synonyms> (216)
N/A

>  <Target> (216)
ATM/ATR

>  <Form> (216)
Free Base

>  <CAS> (216)
905973-89-9

>  <URL> (216)
http://www.selleckchem.com/products/cgk-733.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (217)
2466

>  <Formula> (217)
C18H32ClN3O8P2

>  <MolWeight> (217)
515.862502

>  <Cat> (217)
S4157

>  <Name> (217)
Chloroquine Phosphate

>  <Synonyms> (217)
N/A

>  <Target> (217)
Others

>  <Form> (217)
Diphosphate

>  <CAS> (217)
50-63-5

>  <URL> (217)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
AZD1080.cdx
csChFnd80/10161910362D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (218)
2502

>  <Formula> (218)
C19H18N4O2

>  <MolWeight> (218)
334.37182

>  <Cat> (218)
S7145

>  <Name> (218)
AZD1080

>  <Synonyms> (218)
N/A

>  <Target> (218)
GSK-3

>  <Form> (218)
Free Base

>  <CAS> (218)
612487-72-6

>  <URL> (218)
http://www.selleckchem.com/products/azd1080.html

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (219)
2513

>  <Formula> (219)
C17H15BrF2N4O3

>  <MolWeight> (219)
441.2268064

>  <Cat> (219)
S7007

>  <Name> (219)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (219)
N/A

>  <Target> (219)
MEK

>  <Form> (219)
Free Base

>  <CAS> (219)
606143-89-9

>  <URL> (219)
http://www.selleckchem.com/products/mek162.html

$$$$
GSK2334470.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (220)
2516

>  <Formula> (220)
C25H34N8O

>  <MolWeight> (220)
462.59046

>  <Cat> (220)
S7087

>  <Name> (220)
GSK2334470

>  <Synonyms> (220)
N/A

>  <Target> (220)
PDK-1

>  <Form> (220)
Free Base

>  <CAS> (220)
1227911-45-6

>  <URL> (220)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (221)
2518

>  <Formula> (221)
C24H26N4O

>  <MolWeight> (221)
386.48944

>  <Cat> (221)
S7127

>  <Name> (221)
TIC10 analogue

>  <Synonyms> (221)
TRAIL-inducing Compound 10

>  <Target> (221)
Akt

>  <Form> (221)
Free Base

>  <CAS> (221)
41276-02-2

>  <URL> (221)
http://www.selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (222)
2520

>  <Formula> (222)
C16H10BrN3O2

>  <MolWeight> (222)
356.1735

>  <Cat> (222)
S7198

>  <Name> (222)
BIO

>  <Synonyms> (222)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (222)
GSK-3

>  <Form> (222)
Free Base

>  <CAS> (222)
667463-62-9

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

$$$$
RGFP966.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (223)
2525

>  <Formula> (223)
C21H19FN4O

>  <MolWeight> (223)
362.4001632

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486424-20-8

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Bisindolylmaleimide IX Mesylate

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PKC

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138489-18-6

>  <URL> (225)
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1159824-67-5

>  <URL> (226)
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M  END
>  <Mol_ID> (227)
2541

>  <Formula> (227)
C30H22N4O2

>  <MolWeight> (227)
470.52128

>  <Cat> (227)
S8050

>  <Name> (227)
ETP-46464

>  <Synonyms> (227)
N/A

>  <Target> (227)
mTOR

>  <Form> (227)
Free Base

>  <CAS> (227)
1345675-02-6

>  <URL> (227)
http://www.selleckchem.com/products/etp-46464.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/10161910362D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (228)
2545

>  <Formula> (228)
C24H27Cl2N5O

>  <MolWeight> (228)
472.41008

>  <Cat> (228)
S7306

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

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

>  <Target> (228)
AMPK

>  <Form> (228)
Dihydrochloride

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

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

$$$$
Skepinone-L.cdx
csChFnd80/10161910362D

 31 34  0  0  0  0  0  0  0  0999 V2000
   10.8858    4.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (229)
2549

>  <Formula> (229)
C24H21F2NO4

>  <MolWeight> (229)
425.4246464

>  <Cat> (229)
S7214

>  <Name> (229)
Skepinone-L

>  <Synonyms> (229)
N/A

>  <Target> (229)
p38 MAPK

>  <Form> (229)
Free Base

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

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

$$$$
TAK-632.cdx
csChFnd80/10161910362D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (230)
2614

>  <Formula> (230)
C27H18F4N4O3S

>  <MolWeight> (230)
554.5154328

>  <Cat> (230)
S7291

>  <Name> (230)
TAK-632

>  <Synonyms> (230)
N/A

>  <Target> (230)
Raf

>  <Form> (230)
Free Base

>  <CAS> (230)
1228591-30-7

>  <URL> (230)
http://www.selleckchem.com/products/tak-632.html

$$$$
JSH-23.cdx
csChFnd80/10161910362D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (231)
2626

>  <Formula> (231)
C16H20N2

>  <MolWeight> (231)
240.3434

>  <Cat> (231)
S7351

>  <Name> (231)
JSH-23

>  <Synonyms> (231)
N/A

>  <Target> (231)
NF-¦ÊB

>  <Form> (231)
Free Base

>  <CAS> (231)
749886-87-1

>  <URL> (231)
http://www.selleckchem.com/products/jsh-23.html

$$$$
Sorafenib.cdx
csChFnd80/10161910362D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (232)
2627

>  <Formula> (232)
C21H16ClF3N4O3

>  <MolWeight> (232)
464.8249496

>  <Cat> (232)
S7397

>  <Name> (232)
Sorafenib

>  <Synonyms> (232)
BAY 43-9006

>  <Target> (232)
Raf

>  <Form> (232)
Free Base

>  <CAS> (232)
284461-73-0

>  <URL> (232)
http://www.selleckchem.com/products/sorafenib.html

$$$$
RG2833 (RGFP109).cdx
csChFnd80/10161910362D

 25 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (233)
2628

>  <Formula> (233)
C20H25N3O2

>  <MolWeight> (233)
339.4314

>  <Cat> (233)
S7292

>  <Name> (233)
RG2833 (RGFP109)

>  <Synonyms> (233)
N/A

>  <Target> (233)
HDAC

>  <Form> (233)
Free Base

>  <CAS> (233)
1215493-56-3

>  <URL> (233)
http://www.selleckchem.com/products/rg2833-rgfp109.html

$$$$
WZ4003.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (234)
2632

>  <Formula> (234)
C25H29ClN6O3

>  <MolWeight> (234)
496.98916

>  <Cat> (234)
S7317

>  <Name> (234)
WZ4003

>  <Synonyms> (234)
N/A

>  <Target> (234)
AMPK

>  <Form> (234)
Free Base

>  <CAS> (234)
1214265-58-3

>  <URL> (234)
http://www.selleckchem.com/products/wz4003.html

$$$$
Caffeic acid phenethyl ester(CAPE).cdx
csChFnd80/10161910362D

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>  <Mol_ID> (235)
2636

>  <Formula> (235)
C17H16O4

>  <MolWeight> (235)
284.30654

>  <Cat> (235)
S7414

>  <Name> (235)
Caffeic acid phenethyl ester(CAPE)

>  <Synonyms> (235)
CAPE, Phenylethyl Caffeate

>  <Target> (235)
NF-¦ÊB

>  <Form> (235)
Free Base

>  <CAS> (235)
104594-70-9

>  <URL> (235)
http://www.selleckchem.com/products/caffeic-acid-phenethyl-ester.html

$$$$
AZ20.cdx
csChFnd80/10161910362D

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Nexturastat A

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N/A

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Nexturastat A

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Free Base

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1403783-31-2

>  <URL> (241)
http://www.selleckchem.com/products/nexturastat-a.html

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csChFnd80/10161910362D

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CGP 57380

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N/A

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MNK

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Free Base

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522629-08-9

>  <URL> (242)
http://www.selleckchem.com/products/cgp57380.html

$$$$
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csChFnd80/10161910362D

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DMOG

>  <Synonyms> (243)
Dimethyloxalylglycine

>  <Target> (243)
Hydroxylase

>  <Form> (243)
Free Base

>  <CAS> (243)
89464-63-1

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

$$$$
HS-173.cdx
csChFnd80/10161910362D

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2707

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C21H18N4O4S

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S7356

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HS-173

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N/A

>  <Target> (244)
PI3K

>  <Form> (244)
Free Base

>  <CAS> (244)
1276110-06-5

>  <URL> (244)
http://www.selleckchem.com/products/hs-173.html

$$$$
ÐÂ½¨ CS ChemDraw Drawing.cdx
csChFnd80/10161910362D

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2713

>  <Formula> (245)
C22H26FN3O2

>  <MolWeight> (245)
383.4591432

>  <Cat> (245)
S7215

>  <Name> (245)
Losmapimod

>  <Synonyms> (245)
GW856553X, GW856553, GSK-AHAB

>  <Target> (245)
p38 MAPK

>  <Form> (245)
Free Base

>  <CAS> (245)
585543-15-3

>  <URL> (245)
http://www.selleckchem.com/products/losmapimod.html

$$$$
SC75741.cdx
csChFnd80/10161910362D

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Free Base

>  <CAS> (251)
1227158-85-1

>  <URL> (251)
http://www.selleckchem.com/products/bay-87-2243.html

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>  <Form> (252)
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>  <CAS> (252)
1456632-40-8

>  <URL> (252)
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221877-54-9

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csChFnd80/10161910362D

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PKC

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Free Base

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136194-77-9

>  <URL> (254)
http://www.selleckchem.com/products/go6976.html

$$$$
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1129669-05-1

>  <URL> (255)
http://www.selleckchem.com/products/im-12.html

$$$$
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csChFnd80/10161910362D

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>  <Target> (256)
HDAC

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Free Base

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1477949-42-0

>  <URL> (256)
http://www.selleckchem.com/products/santacruzamate-a-cay10683.html

$$$$
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csChFnd80/10161910362D

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HDAC

>  <Form> (257)
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254964-60-8

>  <URL> (257)
http://www.selleckchem.com/products/tasquinimod.html

$$$$
Splitomicin.cdx
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C13H10O2

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Splitomicin

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N/A

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Sirtuin

>  <Form> (258)
Free Base

>  <CAS> (258)
1384339

>  <URL> (258)
http://www.selleckchem.com/products/splitomicin.html

$$$$
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>  <Mol_ID> (259)
2804

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C27H27N5

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URMC-099

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N/A

>  <Target> (259)
Others

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Free Base

>  <CAS> (259)
1229582-33-5

>  <URL> (259)
http://www.selleckchem.com/products/urmc-099.html

$$$$
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>  <Target> (260)
PI3K

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>  <CAS> (260)
1246560-33-7

>  <URL> (260)
http://www.selleckchem.com/products/vs-5584-sb2343.html

$$$$
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M  END
>  <Mol_ID> (261)
2818

>  <Formula> (261)
C25H24N4O2

>  <MolWeight> (261)
412.48366

>  <Cat> (261)
S7208

>  <Name> (261)
Bisindolylmaleimide I (GF109203X)

>  <Synonyms> (261)
GO 6850

>  <Target> (261)
PKC

>  <Form> (261)
Free Base

>  <CAS> (261)
133052-90-1

>  <URL> (261)
http://www.selleckchem.com/products/gf109203x.html

$$$$
PJ34.cdx
csChFnd80/10161910362D

 23 24  0  0  0  0  0  0  0  0999 V2000
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   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
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 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
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M  END
>  <Mol_ID> (262)
2820

>  <Formula> (262)
C17H18ClN3O2

>  <MolWeight> (262)
331.79672

>  <Cat> (262)
S7300

>  <Name> (262)
PJ34 hcl

>  <Synonyms> (262)
N/A

>  <Target> (262)
PARP

>  <Form> (262)
Hydrochloride

>  <CAS> (262)
344458-15-7

>  <URL> (262)
http://www.selleckchem.com/products/pj34-hcl.html

$$$$
JNK Inhibitor IX.cdx
csChFnd80/10161910362D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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 24 20  1  0  0  0  0
 10 11  3  0  0  0  0
M  END
>  <Mol_ID> (263)
2822

>  <Formula> (263)
C20H16N2OS

>  <MolWeight> (263)
332.41884

>  <Cat> (263)
S7508

>  <Name> (263)
JNK inhibitor IX

>  <Synonyms> (263)
TCS JNK 5a

>  <Target> (263)
JNK

>  <Form> (263)
Free Base

>  <CAS> (263)
312917-14-9

>  <URL> (263)
http://www.selleckchem.com/products/jnk-inhibitor-ix.html

$$$$
DTP3.cdx
csChFnd80/10161910362D

 38 39  0  0  0  0  0  0  0  0999 V2000
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 20 15  1  0  0  0  0
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 23 24  1  0  0  0  0
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  8 30  2  0  0  0  0
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 37 32  1  0  0  0  0
 11 38  2  0  0  0  0
M  END
>  <Mol_ID> (264)
2835

>  <Formula> (264)
C26H35N7O5

>  <MolWeight> (264)
525.6

>  <Cat> (264)
S7637

>  <Name> (264)
DTP3

>  <Synonyms> (264)
N/A

>  <Target> (264)
JNK

>  <Form> (264)
Free Base

>  <CAS> (264)
no

>  <URL> (264)
http://www.selleckchem.com/products/dtp3.html

$$$$
PX-478 2HCl.cdx
csChFnd80/10161910362D

 22 20  0  0  0  0  0  0  0  0999 V2000
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 14 16  1  0  0  0  0
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 18 19  1  0  0  0  0
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M  END
>  <Mol_ID> (265)
2846

>  <Formula> (265)
C13H20Cl4N2O3

>  <MolWeight> (265)
394.1215

>  <Cat> (265)
S7612

>  <Name> (265)
PX-478 2HCl

>  <Synonyms> (265)
N/A

>  <Target> (265)
HIF

>  <Form> (265)
Dihydrochlorid

>  <CAS> (265)
685898-44-6

>  <URL> (265)
http://www.selleckchem.com/products/px-478-2hcl.html

$$$$
CAY10603.cdx
csChFnd80/10161910362D

 32 33  0  0  0  0  0  0  0  0999 V2000
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1056901-62-2

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188011-69-0

>  <URL> (275)
http://www.selleckchem.com/products/bikinin.html

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>  <Name> (276)
LY2584702 tosylate

>  <Synonyms> (276)
N/A

>  <Target> (276)
S6 Kinase

>  <Form> (276)
Free Base

>  <CAS> (276)
1082949-68-5

>  <URL> (276)
http://www.selleckchem.com/products/ly2584702-tosylate.html

$$$$
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GSK-3

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Free Base

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603288-22-8

>  <URL> (277)
http://www.selleckchem.com/products/ly2090314.html

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22862-76-6

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2935

>  <Formula> (284)
C36H46N8O3

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ERK5-IN-1

>  <Synonyms> (284)
N/A

>  <Target> (284)
ERK

>  <Form> (284)
Free Base

>  <CAS> (284)
1435488-37-1

>  <URL> (284)
http://www.selleckchem.com/products/erk5-in-1.html

$$$$
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>  <Mol_ID> (285)
2941

>  <Formula> (285)
C25H25ClN6O4S

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>  <Cat> (285)
S7645

>  <Name> (285)
Pilaralisib (XL147)

>  <Synonyms> (285)
N/A

>  <Target> (285)
PI3K

>  <Form> (285)
Free Base

>  <CAS> (285)
934526-89-3

>  <URL> (285)
http://www.selleckchem.com/products/pilaralisib-xl147.html

$$$$
ARRY-614.cdx
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>  <Mol_ID> (286)
2945

>  <Formula> (286)
C31H33FN6O3

>  <MolWeight> (286)
556.6305232

>  <Cat> (286)
S7799

>  <Name> (286)
Pexmetinib (ARRY-614)

>  <Synonyms> (286)
N/A

>  <Target> (286)
p38 MAPK

>  <Form> (286)
Free Base

>  <CAS> (286)
945614-12-0

>  <URL> (286)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

$$$$
LY3009120.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (287)
2947

>  <Formula> (287)
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C24H25N5O

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Dorsomorphin (Compound C)

>  <Synonyms> (292)
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>  <Target> (292)
AMPK

>  <Form> (292)
Free Base

>  <CAS> (292)
866405-64-3

>  <URL> (292)
http://www.selleckchem.com/products/dorsomorphin.html

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2961

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C17H17ClN2O5

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364.78028

>  <Cat> (293)
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SC79

>  <Synonyms> (293)
N/A

>  <Target> (293)
Akt

>  <Form> (293)
Free Base

>  <CAS> (293)
305834-79-1

>  <URL> (293)
http://www.selleckchem.com/products/sc79.html

$$$$
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C29H28N4O2

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BI-847325

>  <Synonyms> (294)
N/A

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MEK

>  <Form> (294)
Free Base

>  <CAS> (294)
1207293-36-4

>  <URL> (294)
http://www.selleckchem.com/products/bi-847325.html

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>  <CAS> (295)
1168091-68-6

>  <URL> (295)
http://www.selleckchem.com/products/gdc-0623.html

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http://www.selleck.cn/products/tic-10.html

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Akt

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Free Base

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612847-09-3

>  <URL> (305)
http://www.selleck.cn/products/akti-1-2.html

$$$$
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csChFnd80/10161910362D

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Free Base

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667463-85-6

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http://www.selleck.cn/products/bio-acetoxime.html

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1608125-21-8

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ERK

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896720-20-0

>  <URL> (313)
http://www.selleckchem.com/products/vx-11e.html

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N/A

>  <Target> (314)
PI3K

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Free Base

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934493-76-2

>  <URL> (314)
http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

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3069

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C27H34N4O5

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494.58266

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S7238

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NVP-TNKS656

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N/A

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PARP

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Free Base

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1419949-20-4

>  <URL> (315)
http://www.selleckchem.com/products/nvp-tnks656.html

$$$$
LJI308.cdx
csChFnd80/10161910362D

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1627709-94-7

>  <URL> (316)
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HIF

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223387-75-5

>  <URL> (317)
http://www.selleckchem.com/products/fg-2216.html

$$$$
Molidustat(BAY 85-3934).cdx
csChFnd80/10161910362D

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Molidustat(BAY 85-3934)

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N/A

>  <Target> (318)
HIF

>  <Form> (318)
Free Base

>  <CAS> (318)
1154028-82-6

>  <URL> (318)
http://www.selleckchem.com/products/molidustat-(bay85-3934).html

$$$$
Mirin.cdx
csChFnd80/10161910362D

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C10H8N2O2S

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Mirin

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ATM/ATR

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Free Base

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1198097-97-0

>  <URL> (319)
http://www.selleckchem.com/products/mirin.html

$$$$
STA-21.cdx
csChFnd80/10161910362D

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C19H14O4

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S7951

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STA-21

>  <Synonyms> (320)
N/A

>  <Target> (320)
STAT

>  <Form> (320)
Free Base

>  <CAS> (320)
111540-00-2

>  <URL> (320)
http://www.selleckchem.com/products/sta-21.html

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/10161910362D

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C19H27N3O6

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Daprodustat (GSK1278863)

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N/A

>  <Target> (321)
HIF

>  <Form> (321)
Free Base

>  <CAS> (321)
960539-70-2

>  <URL> (321)
http://www.selleckchem.com/products/daprodustat.html

$$$$
CC-223.cdx
csChFnd80/10161910362D

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N/A

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mTOR

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Free Base

>  <CAS> (322)
1228013-30-6

>  <URL> (322)
http://www.selleckchem.com/products/cc-223.html

$$$$
LJH685.cdx
csChFnd80/10161910362D

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AMPK

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738606-46-7

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JNK

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883065-90-5

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http://www.selleckchem.com/products/bi-78d3.html

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PI3K

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Free Base

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1254036-66-2

>  <URL> (333)
http://www.selleckchem.com/products/gsk2292767.html

$$$$
MK-4827(Niraparib) tosylate.cdx
csChFnd80/10161910362D

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>  <Synonyms> (334)
Niraparib tosylate, MK 4827 tosylate

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PARP

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4-?methylbenzen

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1038915-73-9

>  <URL> (334)
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C13H7Cl2N3O

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HDAC

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Free Base

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200626-61-5

>  <URL> (335)
http://www.selleckchem.com/products/itsa-1-itsa1.html

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LY3023414.cdx
csChFnd80/10161910362D

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C23H26N4O3

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LY3023414

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GTPL8918

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Akt

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Free Base

>  <CAS> (336)
1386874-06-1

>  <URL> (336)
http://www.selleckchem.com/products/ly3023414.html

$$$$
LY333531.cdx
csChFnd80/10161910362D

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3223

>  <Formula> (337)
C28H29ClN4O3

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S7663

>  <Name> (337)
LY333531 HCl

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Ruboxistaurin

>  <Target> (337)
PKC

>  <Form> (337)
hydrochloride

>  <CAS> (337)
169939-93-9

>  <URL> (337)
http://www.selleckchem.com/products/ly333531.html

$$$$
S4712 Diethylmaleate.cdx
csChFnd80/10161910362D

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3232

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C8H12O4

>  <MolWeight> (338)
172.17848

>  <Cat> (338)
S4712

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Diethylmaleate

>  <Target> (338)
Others

>  <Form> (338)
Free Base

>  <CAS> (338)
141-05-9

>  <URL> (338)
http://www.selleckchem.com/products/diethylmaleate.html

$$$$
AZD8835.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (339)
3239

>  <Formula> (339)
C22H31N9O3

>  <MolWeight> (339)
469.54004

>  <Cat> (339)
S7966

>  <Name> (339)
AZD8835

>  <Synonyms> (339)
N/A

>  <Target> (339)
PI3K

>  <Form> (339)
Free Base

>  <CAS> (339)
1620576-64-8

>  <URL> (339)
http://www.selleckchem.com/products/azd8835.html

$$$$
Necrosulfonamide.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (340)
3240

>  <Formula> (340)
C18H15N5O6S2

>  <MolWeight> (340)
461.4716

>  <Cat> (340)
S8251

>  <Name> (340)
Necrosulfonamide

>  <Synonyms> (340)
N/A

>  <Target> (340)
Others

>  <Form> (340)
Free Base

>  <CAS> (340)
1360614-48-7

>  <URL> (340)
http://www.selleckchem.com/products/necrosulfonamide.html

$$$$
APS-2-79.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (341)
3247

>  <Formula> (341)
C23H22ClN3O3

>  <MolWeight> (341)
423.89208

>  <Cat> (341)
S8355

>  <Name> (341)
APS-2-79 HCl

>  <Synonyms> (341)
N/A

>  <Target> (341)
MEK

>  <Form> (341)
hydrochloride

>  <CAS> (341)
2002381-31-7

>  <URL> (341)
http://www.selleckchem.com/products/aps-2-79.html

$$$$
Deguelin.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (342)
3253

>  <Formula> (342)
C23H22O6

>  <MolWeight> (342)
394.41718

>  <Cat> (342)
S8132

>  <Name> (342)
Deguelin

>  <Synonyms> (342)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (342)
Akt

>  <Form> (342)
Free Base

>  <CAS> (342)
522-17-8

>  <URL> (342)
http://www.selleckchem.com/products/deguelin.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/10161910362D

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>  <Mol_ID> (343)
3261

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C22H15F3N4O2

>  <MolWeight> (343)
424.3753096

>  <Cat> (343)
S8189

>  <Name> (343)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (343)
N/A

>  <Target> (343)
VEGFR

>  <Form> (343)
Free Base

>  <CAS> (343)
861875-60-7

>  <URL> (343)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (344)
3265

>  <Formula> (344)
C19H20F2N4O4

>  <MolWeight> (344)
406.3833064

>  <Cat> (344)
S8125

>  <Name> (344)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (344)
N/A

>  <Target> (344)
p38 MAPK

>  <Form> (344)
Free Base

>  <CAS> (344)
449811-01-2

>  <URL> (344)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
BGP-15.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (345)
3284

>  <Formula> (345)
C14H24Cl2N4O2

>  <MolWeight> (345)
351.27196

>  <Cat> (345)
S8370

>  <Name> (345)
BGP-15 2HCl

>  <Synonyms> (345)
N/A

>  <Target> (345)
PARP

>  <Form> (345)
dihydrochloride

>  <CAS> (345)
66611-37-8

>  <URL> (345)
http://www.selleckchem.com/products/bgp-15.html

$$$$
GDC-0084.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (346)
3289

>  <Formula> (346)
C18H22N8O2

>  <MolWeight> (346)
382.41968

>  <Cat> (346)
S8163

>  <Name> (346)
GDC-0084

>  <Synonyms> (346)
N/A

>  <Target> (346)
PI3K

>  <Form> (346)
Free Base

>  <CAS> (346)
1382979-44-3

>  <URL> (346)
http://www.selleckchem.com/products/gdc-0084.html

$$$$
CC-115.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (347)
3296

>  <Formula> (347)
C16H16N8O

>  <MolWeight> (347)
336.35124

>  <Cat> (347)
S7891

>  <Name> (347)
CC-115

>  <Synonyms> (347)
N/A

>  <Target> (347)
DNA-PK

>  <Form> (347)
Free Base

>  <CAS> (347)
1228013-15-7

>  <URL> (347)
http://www.selleckchem.com/products/cc-115.html

$$$$
CZ415.cdx
csChFnd80/10161910362D

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mTOR

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Free Base

>  <CAS> (348)
1429639-50-8

>  <URL> (348)
http://www.selleckchem.com/products/cz415.html

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3315

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C26H28N6O

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S7937

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GSK2269557

>  <Synonyms> (349)
Nemiralisib

>  <Target> (349)
PI3K

>  <Form> (349)
Free Base

>  <CAS> (349)
1254036-71-9

>  <URL> (349)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
GSK583.cdx
csChFnd80/10161910362D

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3325

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C20H19FN4O2S

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398.4538632

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>  <Name> (350)
GSK583

>  <Synonyms> (350)
N/A

>  <Target> (350)
NF-¦ÊB

>  <Form> (350)
Free Base

>  <CAS> (350)
1346547-00-9

>  <URL> (350)
http://www.selleckchem.com/products/gsk583.html

$$$$
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csChFnd80/10161910362D

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>  <Mol_ID> (351)
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>  <Formula> (351)
C27H25ClN6

>  <MolWeight> (351)
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>  <Cat> (351)
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>  <Name> (351)
Miransertib (ARQ 092)HCl

>  <Synonyms> (351)
Miransertib

>  <Target> (351)
Akt

>  <Form> (351)
hydrochloride

>  <CAS> (351)
1313883-00-9

>  <URL> (351)
http://www.selleckchem.com/products/arq-092.html

$$$$
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M  END
>  <Mol_ID> (352)
3330

>  <Formula> (352)
C21H25N7O

>  <MolWeight> (352)
391.4695

>  <Cat> (352)
S8456

>  <Name> (352)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (352)
N/A

>  <Target> (352)
PI3K

>  <Form> (352)
Free Base

>  <CAS> (352)
1383716-46-8

>  <URL> (352)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
BP-1-102.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (353)
3332

>  <Formula> (353)
C29H27F5N2O6S

>  <MolWeight> (353)
626.591496

>  <Cat> (353)
S7769

>  <Name> (353)
BP-1-102

>  <Synonyms> (353)
N/A

>  <Target> (353)
STAT

>  <Form> (353)
Free Base

>  <CAS> (353)
1334493-07-0

>  <URL> (353)
http://www.selleckchem.com/products/bp-1-102.html

$$$$
OTS514.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (354)
3334

>  <Formula> (354)
C21H21ClN2O2S

>  <MolWeight> (354)
400.92164

>  <Cat> (354)
S7652

>  <Name> (354)
OTS514 hydrochloride

>  <Synonyms> (354)
N/A

>  <Target> (354)
TOPK

>  <Form> (354)
hydrochloride

>  <CAS> (354)
1338540-63-8(free base)

>  <URL> (354)
http://www.selleckchem.com/products/ots514.html

$$$$
S8275-eFT-508.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (355)
3340

>  <Formula> (355)
C17H20N6O2

>  <MolWeight> (355)
340.3797

>  <Cat> (355)
S8275

>  <Name> (355)
eFT-508 (eFT508)

>  <Synonyms> (355)
N/A

>  <Target> (355)
MNK

>  <Form> (355)
Free Base

>  <CAS> (355)
1849590-01-7

>  <URL> (355)
http://www.selleckchem.com/products/eft-508.html

$$$$
SH5-07 (SH-5-07).cdx
csChFnd80/10161910362D

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Raf

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1163719-56-9

>  <URL> (357)
http://www.selleckchem.com/products/cct196969.html

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Free Base

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170632-47-0

>  <URL> (358)
http://www.selleckchem.com/products/lificiguat-yc-1.html

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1316215-12-9

>  <URL> (359)
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1532533-67-7

>  <URL> (361)
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HIF

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1187990-87-9
1187990-87-9
1187990-87-9

>  <URL> (362)
http://www.selleckchem.com/products/mk-8617.html

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>  <Target> (363)
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dihydrochloride

>  <CAS> (363)
1338545-07-5(HCl salt)

>  <URL> (363)
http://www.selleckchem.com/products/ots964.html

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JNK

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hydrochloride

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899805-25-5 (free base)

>  <URL> (364)
http://www.selleckchem.com/products/cc-930.html

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Free Base

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1262417-51-5

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http://www.selleckchem.com/products/nms-p118.html

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Free Base

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1943733-16-1

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free base

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1879887-96-3

>  <URL> (367)
http://www.selleckchem.com/products/lturm34.html

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>  <Mol_ID> (368)
3404

>  <Formula> (368)
C22H19F4N7O

>  <MolWeight> (368)
473.4261728

>  <Cat> (368)
S8518

>  <Name> (368)
AD80

>  <Synonyms> (368)
N/A

>  <Target> (368)
Raf,Src,S6 Kinase,RET V804M,RET V804L,RET wt

>  <Form> (368)
free base

>  <CAS> (368)
1384071-99-1

>  <URL> (368)
http://www.selleckchem.com/products/ad80.html

$$$$
GDC-0326.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (369)
3409

>  <Formula> (369)
C19H22N6O3

>  <MolWeight> (369)
382.41638

>  <Cat> (369)
S8157

>  <Name> (369)
GDC-0326

>  <Synonyms> (369)
N/A

>  <Target> (369)
PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

>  <Form> (369)
free base

>  <CAS> (369)
1282514-88-8

>  <URL> (369)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

$$$$
TMP195.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (370)
3413

>  <Formula> (370)
C23H19F3N4O3

>  <MolWeight> (370)
456.4171696

>  <Cat> (370)
S8502

>  <Name> (370)
TMP195

>  <Synonyms> (370)
TFMO 2

>  <Target> (370)
HDAC9,HDAC7,HDAC4,HDAC5

>  <Form> (370)
free base

>  <CAS> (370)
1314891-22-9

>  <URL> (370)
http://www.selleckchem.com/products/tmp195.html

$$$$
3BDO.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (371)
3417

>  <Formula> (371)
C18H17NO5

>  <MolWeight> (371)
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>  <Cat> (371)
S8317

>  <Name> (371)
3BDO

>  <Synonyms> (371)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (371)
FKBP1A

>  <Form> (371)
free base

>  <CAS> (371)
890405-51-3

>  <URL> (371)
http://www.selleckchem.com/products/3bdo.html

$$$$
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1174428-47-7

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PI3K¦Ã

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1693758-51-8

>  <URL> (374)
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free base

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934593-90-5

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743420-02-2

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>  <Mol_ID> (382)
3465

>  <Formula> (382)
C19H16ClNO3

>  <MolWeight> (382)
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S8335

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PF-06409577

>  <Synonyms> (382)
N/A

>  <Target> (382)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (382)
free base

>  <CAS> (382)
1467057-23-3

>  <URL> (382)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/10161910362D

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>  <Mol_ID> (383)
3478

>  <Formula> (383)
C12H8ClI

>  <MolWeight> (383)
314.54939

>  <Cat> (383)
S8639

>  <Name> (383)
Diphenyleneiodonium chloride (DPI)

>  <Synonyms> (383)
N/A

>  <Target> (383)
NADPH oxidase

>  <Form> (383)
chloride

>  <CAS> (383)
4673-26-1

>  <URL> (383)
http://www.selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

$$$$
ACY-738.cdx
csChFnd80/10161910362D

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3481

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C14H14N4O2

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S8648

>  <Name> (384)
ACY-738

>  <Synonyms> (384)
N/A

>  <Target> (384)
HDAC6

>  <Form> (384)
free base

>  <CAS> (384)
1375465-91-0

>  <URL> (384)
http://www.selleckchem.com/products/acy-738.html

$$$$
C188-9.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (385)
3498

>  <Formula> (385)
C27H21NO5S

>  <MolWeight> (385)
471.52434

>  <Cat> (385)
S8605

>  <Name> (385)
C188-9

>  <Synonyms> (385)
N/A

>  <Target> (385)
STAT3

>  <Form> (385)
free base

>  <CAS> (385)
432001-19-9

>  <URL> (385)
http://www.selleckchem.com/products/c188-9.html

$$$$
BAY 1895344.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (386)
3505

>  <Formula> (386)
C20H22ClN7O

>  <MolWeight> (386)
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>  <Cat> (386)
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>  <Name> (386)
BAY 1895344

>  <Synonyms> (386)
N/A

>  <Target> (386)
ATR

>  <Form> (386)
hydrochloride

>  <CAS> (386)
1876467-74-1(free base)

>  <URL> (386)
http://www.selleckchem.com/products/bay-1895344.html

$$$$
CBL0137(CBL-0137).cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (387)
3506

>  <Formula> (387)
C21H25ClN2O2

>  <MolWeight> (387)
372.8884

>  <Cat> (387)
S8483

>  <Name> (387)
CBL0137(CBL-0137)

>  <Synonyms> (387)
CBLC137, Curaxin 137

>  <Target> (387)
FACT,p53,NF-¦ÊB 

>  <Form> (387)
hydrochloride

>  <CAS> (387)
1197397-89-9

>  <URL> (387)
http://www.selleckchem.com/products/cbl0137-cbl-0137.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/10161910362D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (388)
3512

>  <Formula> (388)
C8H16O2

>  <MolWeight> (388)
144.21144

>  <Cat> (388)
S3944

>  <Name> (388)
Valproic acid

>  <Synonyms> (388)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (388)
HDAC1

>  <Form> (388)
free base

>  <CAS> (388)
99-66-1

>  <URL> (388)
http://www.selleckchem.com/products/valproic-acid.html

$$$$
S3973 L-SelenoMethionine.cdx
csChFnd80/10161910362D

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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (389)
3523

>  <Formula> (389)
C5H11NO2Se

>  <MolWeight> (389)
196.10634

>  <Cat> (389)
S3973

>  <Name> (389)
L-SelenoMethionine

>  <Synonyms> (389)
N/A

>  <Target> (389)
ROS

>  <Form> (389)
free base

>  <CAS> (389)
3211-76-5

>  <URL> (389)
http://www.selleckchem.com/products/l-selenomethionine.html

$$$$
WT161.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (390)
3543

>  <Formula> (390)
C27H30N4O3

>  <MolWeight> (390)
458.5521

>  <Cat> (390)
S8495

>  <Name> (390)
WT161

>  <Synonyms> (390)
N/A

>  <Target> (390)
HDAC1,2,6

>  <Form> (390)
free base

>  <CAS> (390)
1206731-57-8

>  <URL> (390)
http://www.selleckchem.com/products/wt161.html

$$$$
IPI-3063.cdx
csChFnd80/10161910362D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (391)
3582

>  <Formula> (391)
C25H25N7O2

>  <MolWeight> (391)
455.5117

>  <Cat> (391)
S7335

>  <Name> (391)
IPI-3063

>  <Synonyms> (391)
N/A

>  <Target> (391)
p110¦Ä

>  <Form> (391)
free base

>  <CAS> (391)
1425043-73-7

>  <URL> (391)
http://www.selleckchem.com/products/ipi-3063.html

$$$$
2-D08.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (392)
3624

>  <Formula> (392)
C15H10O5

>  <MolWeight> (392)
270.2369

>  <Cat> (392)
S8696

>  <Name> (392)
2-D08
2-D08

>  <Synonyms> (392)
2',3',4'-trihydroxy flavone

>  <Target> (392)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (392)
free base

>  <CAS> (392)
144707-18-6

>  <URL> (392)
http://selleckchem.com/products/2-d08.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (393)
3667

>  <Formula> (393)
C21H17ClF4N4O4

>  <MolWeight> (393)
500.8306928

>  <Cat> (393)
S5077

>  <Name> (393)
Regorafenib Monohydrate

>  <Synonyms> (393)
N/A

>  <Target> (393)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (393)
monohydrate

>  <CAS> (393)
1019206-88-2

>  <URL> (393)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
S5304 2-Acetylphenothiazine.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (394)
3677

>  <Formula> (394)
C14H11NOS

>  <MolWeight> (394)
241.30824

>  <Cat> (394)
S5304

>  <Name> (394)
2-Acetylphenothiazine (ML171)

>  <Synonyms> (394)
2-APT

>  <Target> (394)
NADPH-oxidase

>  <Form> (394)
free base

>  <CAS> (394)
6631-94-3

>  <URL> (394)
http://selleckchem.com/products/2-acetylphenothiazine-ml171.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (395)
3701

>  <Formula> (395)
C23H18FN5O2

>  <MolWeight> (395)
415.4197232

>  <Cat> (395)
S8672

>  <Name> (395)
Tenalisib (RP6530)

>  <Synonyms> (395)
N/A

>  <Target> (395)
PI3K

>  <Form> (395)
free base

>  <CAS> (395)
1639417-53-0

>  <URL> (395)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
RAF709.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (396)
3716

>  <Formula> (396)
C28H29F3N4O4

>  <MolWeight> (396)
542.5494696

>  <Cat> (396)
S8690

>  <Name> (396)
RAF709

>  <Synonyms> (396)
N/A

>  <Target> (396)
Raf

>  <Form> (396)
free base

>  <CAS> (396)
1628838-42-5

>  <URL> (396)
http://selleckchem.com/products/raf709.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (397)
3759

>  <Formula> (397)
C10H16N5O8P

>  <MolWeight> (397)
365.236501

>  <Cat> (397)
S5284

>  <Name> (397)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (397)
5'-Adenylic acid, 5'-AMP

>  <Target> (397)
AMPK

>  <Form> (397)
hydrate 

>  <CAS> (397)
18422-05-4

>  <URL> (397)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5313 SC66.cdx
csChFnd80/10161910362D

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M  END
>  <Mol_ID> (398)
3781

>  <Formula> (398)
C18H16N2O

>  <MolWeight> (398)
276.33244

>  <Cat> (398)
S5313

>  <Name> (398)
SC66

>  <Synonyms> (398)
N/A

>  <Target> (398)
Akt

>  <Form> (398)
free base

>  <CAS> (398)
871361-88-5

>  <URL> (398)
http://selleckchem.com/products/sc66.html

$$$$
AZD1390.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (399)
3787

>  <Formula> (399)
C27H32FN5O2

>  <MolWeight> (399)
477.5736832

>  <Cat> (399)
S8680

>  <Name> (399)
AZD1390

>  <Synonyms> (399)
N/A

>  <Target> (399)
ATM/ATR

>  <Form> (399)
free base

>  <CAS> (399)
2089288-03-7

>  <URL> (399)
http://selleckchem.com/products/azd1390.html

$$$$
GSK'963.cdx
csChFnd80/10161910362D

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>  <Mol_ID> (400)
3839

>  <Formula> (400)
C14H18N2O

>  <MolWeight> (400)
230.30552

>  <Cat> (400)
S8642

>  <Name> (400)
GSK'963

>  <Synonyms> (400)
N/A

>  <Target> (400)
NF-¦ÊB,TNF-alpha

>  <Form> (400)
free base

>  <CAS> (400)
2049868-46-2

>  <URL> (400)
http://selleckchem.com/products/gsk963.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/10161910362D

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   15.7938    3.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    3.4356    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    4.8356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5938    3.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    2.0356    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
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  8  1  1  0  0  0  0
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  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
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  6 11  2  0  0  0  0
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 25 28  1  0  0  0  0
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M  END
>  <Mol_ID> (401)
3863

>  <Formula> (401)
C24H24F3N5O5S3

>  <MolWeight> (401)
615.6680696

>  <Cat> (401)
S5069

>  <Name> (401)
Dabrafenib Mesylate

>  <Synonyms> (401)
GSK2118436 Mesylate

>  <Target> (401)
Raf

>  <Form> (401)
mesylate

>  <CAS> (401)
1195768-06-9

>  <URL> (401)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5438 Biphenyl-4-sulfonyl chloride.cdx
csChFnd80/10161910362D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    1.4000    0.0000 S   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  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
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
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M  END
>  <Mol_ID> (402)
3932

>  <Formula> (402)
C12H9ClO2S

>  <MolWeight> (402)
252.71666

>  <Cat> (402)
S5438

>  <Name> (402)
Biphenyl-4-sulfonyl chloride

>  <Synonyms> (402)
p-Phenylbenzenesulfonyl chloride, 4-Phenylbenzenesulfonyl chloride, p-Biphenylsulfonyl chloride

>  <Target> (402)
HDAC

>  <Form> (402)
free base

>  <CAS> (402)
1623-93-4

>  <URL> (402)
http://selleckchem.com/products/biphenyl-4-sulfonyl-chloride.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/10161910362D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6292    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7862    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8093    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
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  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (403)
3933

>  <Formula> (403)
C8H6BrN

>  <MolWeight> (403)
196.04394

>  <Cat> (403)
S5439

>  <Name> (403)
5-Bromoindole

>  <Synonyms> (403)
N/A

>  <Target> (403)
GSK-3

>  <Form> (403)
free base

>  <CAS> (403)
10075-50-0

>  <URL> (403)
http://selleckchem.com/products/5-bromoindole.html

$$$$
UM-164.cdx
csChFnd80/10161910362D

 45 49  0  0  0  0  0  0  0  0999 V2000
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   11.2152    9.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0922    7.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7380    9.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3457   10.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0540    6.2485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7763   11.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9494    0.2890    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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  6  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
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 29 30  1  0  0  0  0
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 32 33  2  0  0  0  0
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 30 34  1  0  0  0  0
  7 35  1  0  0  0  0
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M  END
>  <Mol_ID> (404)
4035

>  <Formula> (404)
C30H31F3N8O3S

>  <MolWeight> (404)
640.6791496

>  <Cat> (404)
S8706

>  <Name> (404)
UM-164

>  <Synonyms> (404)
N/A

>  <Target> (404)
Src,p38 MAPK

>  <Form> (404)
free base

>  <CAS> (404)
903564-48-7

>  <URL> (404)
http://selleckchem.com/products/um-164.html

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/10161910362D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4335    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2185    2.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (405)
4140

>  <Formula> (405)
C8H6N2O

>  <MolWeight> (405)
146.14604

>  <Cat> (405)
S9360

>  <Name> (405)
4-Hydroxyquinazoline

>  <Form> (405)
free base

>  <CAS> (405)
491-36-1

$$$$
S9034 Isochlorogenic acid C.cdx
csChFnd80/10161910362D

 37 39  0  0  0  0  0  0  0  0999 V2000
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57378-72-0

$$$$
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Magnolin

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31008-18-1

$$$$
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39432-56-9

$$$$
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    6.0604    8.4024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2761    7.7082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8464   10.5025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0663    1.4044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6882    7.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8914    8.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    5.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0220    4.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8287    4.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1264    6.3448    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3419    5.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5522    6.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5399    7.7620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7431    8.4778    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.9074    7.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0810    8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8924    9.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0610   10.3179    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.8471   12.2075    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.1850   11.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2233   12.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5541   12.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5853   13.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9232   12.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2858   14.6220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7308    9.8738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5152   10.5682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3049    9.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3172    8.4565    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1141    7.7406    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1017    9.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2678   13.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5029   11.9642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3172    7.0565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8678   11.2622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 12  1  0  0  0  0
  2 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  1  0  0  0
 22 23  1  0  0  0  0
 13 21  1  0  0  0  0
 13  4  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 34 35  1  6  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 38 37  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 39 46  1  1  0  0  0
 38 47  1  0  0  0  0
 34 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 33 50  1  0  0  0  0
 50 51  1  0  0  0  0
 26 51  1  0  0  0  0
 30 51  1  0  0  0  0
 51 52  1  1  0  0  0
 39 53  1  6  0  0  0
 48 54  1  1  0  0  0
 24  1  1  1  0  0  0
  2  1  1  1  0  0  0
 30 55  1  6  0  0  0
 50 56  1  6  0  0  0
 33 57  1  1  0  0  0
 38 58  1  6  0  0  0
 47 59  1  1  0  0  0
M  END
>  <Mol_ID> (411)
4603

>  <Formula> (411)
C42H72O13

>  <MolWeight> (411)
785.01328

>  <Cat> (411)
S9021

>  <Name> (411)
(20R)Ginsenoside Rg3

>  <Form> (411)
free base

>  <CAS> (411)
38243-03-7

$$$$
S5263 Pyrroloquinoline Quinone Disodium Salt.cdx
csChFnd80/10161910362D

 26 26  0  0  0  0  0  0  0  0999 V2000
    7.0269    3.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2139    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2139    5.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  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
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  7 11  1  0  0  0  0
  8 15  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
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 12 13  2  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 19 21  2  0  0  0  0
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 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <Mol_ID> (412)
4653

>  <Formula> (412)
C14H4N2Na2O8

>  <MolWeight> (412)
374.1697

>  <Cat> (412)
S5263

>  <Name> (412)
Pyrroloquinoline Quinone Disodium Salt

>  <Synonyms> (412)
pqq,methoxatin disodium salt

>  <Target> (412)
Others

>  <Form> (412)
disodium salt

>  <CAS> (412)
122628-50-6

>  <URL> (412)
http://selleckchem.com/products/.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/10161910362D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  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  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 16  1  0  0  0  0
 13 21  1  0  0  0  0
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 22 23  1  0  0  0  0
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 24 14  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (413)
4677

>  <Formula> (413)
C20H21N3O2

>  <MolWeight> (413)
335.39964

>  <Cat> (413)
S8049

>  <Name> (413)
Tubastatin A

>  <Target> (413)
others

>  <CAS> (413)
1252003-15-8

>  <URL> (413)
https://www.selleckchem.com/products/tubastatin-a.html

$$$$

csChFnd80/10161910362D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.8976    2.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2244    0.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2487    2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4731    2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9219    4.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1711    2.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  1  8  2  0  0  0  0
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 11 12  1  0  0  0  0
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 10 11  1  0  0  0  0
  5 15  1  0  0  0  0
M  END
>  <Mol_ID> (414)
4824

>  <Formula> (414)
C11H15BrN2O

>  <MolWeight> (414)
271.1536

>  <Cat> (414)
S5810

>  <Name> (414)
UF010

>  <Synonyms> (414)
N/A

>  <Target> (414)
HDAC

>  <Form> (414)
Free Base

>  <CAS> (414)
537672-41-6 

>  <URL> (414)
http://www.selleckchem.com/products/uf010.html

$$$$

csChFnd80/10161910362D

 30 34  0  0  0  0  0  0  0  0999 V2000
    8.3150    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3150    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8901    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1648    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  1  0  0  0  0
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  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
  4 11  2  0  0  0  0
 12 13  1  1  0  0  0
 15 16  1  0  0  0  0
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M  END
>  <Mol_ID> (415)
4831

>  <Formula> (415)
C21H16FN7O

>  <MolWeight> (415)
401.3964432

>  <Cat> (415)
S5818

>  <Name> (415)
acalisib (GS-9820)

>  <Synonyms> (415)
CAL-120

>  <Target> (415)
PI3K

>  <Form> (415)
Free Base

>  <CAS> (415)
870281-34-8

>  <URL> (415)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/10161910362D

 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
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  2  5  1  0  0  0  0
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  5  7  1  0  0  0  0
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M  END
>  <Mol_ID> (416)
4879

>  <Formula> (416)
C8H16N2O4

>  <MolWeight> (416)
204.22364

>  <Cat> (416)
S5905

>  <Name> (416)
Suberohydroxamic acid

>  <Synonyms> (416)
suberic bishydroxamic acid

>  <Target> (416)
HDAC

>  <Form> (416)
Free Base

>  <CAS> (416)
38937-66-5

>  <URL> (416)
http://www.selleckchem.com/products/suberohydroxamic-acid.html

$$$$

csChFnd80/10161910362D

 38 43  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
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 13  8  1  0  0  0  0
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 22 23  1  0  0  0  0
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 24 19  1  0  0  0  0
 24 25  1  0  0  0  0
 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
 30 32  2  0  0  0  0
 30 33  2  0  0  0  0
 31 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 31  1  0  0  0  0
 36 38  1  6  0  0  0
M  END
>  <Mol_ID> (417)
4909

>  <Formula> (417)
C25H21F3N6O3S

>  <MolWeight> (417)
542.5328496

>  <Cat> (417)
S7965

>  <Name> (417)
PLX8394

>  <Synonyms> (417)
N/A

>  <Target> (417)
Raf

>  <Form> (417)
Free Base

>  <CAS> (417)
1393466-87-9

>  <URL> (417)
http://www.selleckchem.com/products/plx8394.html

$$$$

csChFnd80/10161910362D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 18 15  1  0  0  0  0
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M  END
>  <Mol_ID> (418)
4910

>  <Formula> (418)
C17H12F3NO4S

>  <MolWeight> (418)
383.3416896

>  <Cat> (418)
S8352

>  <Name> (418)
PT2385

>  <Synonyms> (418)
N/A

>  <Target> (418)
HIF

>  <Form> (418)
Free Base

>  <CAS> (418)
1672665-49-4

>  <URL> (418)
http://www.selleckchem.com/products/pt2385.html

$$$$

csChFnd80/10161910362D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 11 24  2  0  0  0  0
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 25 26  2  0  0  0  0
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 28 11  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (419)
4913

>  <Formula> (419)
C24H28N4O3

>  <MolWeight> (419)
420.50412

>  <Cat> (419)
S8556

>  <Name> (419)
AZ31

>  <Synonyms> (419)
N/A

>  <Target> (419)
ATM/ATR

>  <Form> (419)
Free Base

>  <CAS> (419)
2088113-98-6

>  <URL> (419)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/10161910362D

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    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
    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
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   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
    4.8497    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
    1.2124    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
  3 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 21  1  0  0  0  0
 12 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 12  1  0  0  0  0
 30 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (420)
4914

>  <Formula> (420)
C23H14ClF3N6O

>  <MolWeight> (420)
482.8450696

>  <Cat> (420)
S8560

>  <Name> (420)
Seletalisib (UCB-5857)

>  <Synonyms> (420)
N/A

>  <Target> (420)
PI3K

>  <Form> (420)
Free Base

>  <CAS> (420)
1362850-20-1

>  <URL> (420)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/10161910362D

 22 26  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.2034    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.3668    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    2.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6197    3.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0502    4.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6579    4.2728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0120    2.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0080    3.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  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
  9  2  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  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> (421)
4915

>  <Formula> (421)
C16H15FN4O

>  <MolWeight> (421)
298.3149032

>  <Cat> (421)
S8592

>  <Name> (421)
Pamiparib (BGB-290)

>  <Synonyms> (421)
N/A

>  <Target> (421)
PARP

>  <Form> (421)
Free Base

>  <CAS> (421)
1446261-44-4

>  <URL> (421)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/10161910362D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3709    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7709    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8709    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5709    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    5.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.0000    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 12 31  1  0  0  0  0
M  END
>  <Mol_ID> (422)
4918

>  <Formula> (422)
C24H18ClN3O3

>  <MolWeight> (422)
431.87102

>  <Cat> (422)
S8654

>  <Name> (422)
ex229 (compound 991)

>  <Synonyms> (422)
N/A

>  <Target> (422)
AMPK

>  <Form> (422)
Free Base

>  <CAS> (422)
1219739-36-2

>  <URL> (422)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/10161910362D

 25 28  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    2.1000    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
    4.8497    0.0000    0.0000 C   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
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    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8895    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4936    8.1496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9262    9.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (423)
4926

>  <Formula> (423)
C20H16N4O

>  <MolWeight> (423)
328.36724

>  <Cat> (423)
S8729

>  <Name> (423)
AZ32

>  <Synonyms> (423)
N/A

>  <Target> (423)
ATM/ATR

>  <Form> (423)
Free Base

>  <CAS> (423)
No CAS

>  <URL> (423)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/10161910362D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    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
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   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
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 24  8  1  0  0  0  0
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 25 26  1  0  0  0  0
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 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (424)
4928

>  <Formula> (424)
C17H20F3N7O2

>  <MolWeight> (424)
411.3816096

>  <Cat> (424)
S8738

>  <Name> (424)
Bimiralisib (PQR309)

>  <Synonyms> (424)
N/A

>  <Target> (424)
PI3K

>  <Form> (424)
Free Base

>  <CAS> (424)
1225037-39-7

>  <URL> (424)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/10161910362D

 36 39  0  0  0  0  0  0  0  0999 V2000
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   10.9119   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  1  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 33 35  1  0  0  0  0
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M  END
>  <Mol_ID> (425)
4931

>  <Formula> (425)
C25H25F3N4O4

>  <MolWeight> (425)
502.4856096

>  <Cat> (425)
S8745

>  <Name> (425)
LXH254

>  <Synonyms> (425)
N/A

>  <Target> (425)
Raf

>  <Form> (425)
Free Base

>  <CAS> (425)
1800398-38-2

>  <URL> (425)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/10161910362D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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 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> (426)
4934

>  <Formula> (426)
C21H25F3N6O2

>  <MolWeight> (426)
450.4574096

>  <Cat> (426)
S8752

>  <Name> (426)
leniolisib(CDZ 173)

>  <Synonyms> (426)
N/A

>  <Target> (426)
PI3K

>  <Form> (426)
Free Base

>  <CAS> (426)
1354690-24-6

>  <URL> (426)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/10161910362D

 27 31  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
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 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
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 19 20  1  0  0  0  0
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 23  8  1  0  0  0  0
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 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> (427)
4943

>  <Formula> (427)
C23H32N2O2

>  <MolWeight> (427)
368.51238

>  <Cat> (427)
S8771

>  <Name> (427)
IDF-11774

>  <Synonyms> (427)
N/A

>  <Target> (427)
HIF

>  <Form> (427)
Free Base

>  <CAS> (427)
1429054-28-3

>  <URL> (427)
http://www.selleckchem.com/products/idf-11774.html

$$$$

csChFnd80/10161910362D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (428)
4945

>  <Formula> (428)
C15H16N2O2

>  <MolWeight> (428)
256.29974

>  <Cat> (428)
S8773

>  <Name> (428)
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>  <Synonyms> (428)
N/A

>  <Target> (428)
HDAC

>  <Form> (428)
Free Base

>  <CAS> (428)
2196203-96-8

>  <URL> (428)
http://www.selleckchem.com/products/th34.html

$$$$

csChFnd80/10161910362D

 33 35  0  0  0  0  0  0  0  0999 V2000
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 13 15  2  0  0  0  0
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 19 13  1  0  0  0  0
 15 20  1  0  0  0  0
 18 24  1  0  0  0  0
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M  END
>  <Mol_ID> (429)
4951

>  <Formula> (429)
C22H21F3N6O2

>  <MolWeight> (429)
458.4363496

>  <Cat> (429)
S8801

>  <Name> (429)
CC-90003

>  <Synonyms> (429)
N/A

>  <Target> (429)
ERK

>  <Form> (429)
Free Base

>  <CAS> (429)
1621999-82-3

>  <URL> (429)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/10161910362D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 27 28  1  0  0  0  0
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 31 32  1  0  0  0  0
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M  END
>  <Mol_ID> (430)
4952

>  <Formula> (430)
C27H19ClN2O3

>  <MolWeight> (430)
454.90436

>  <Cat> (430)
S8803

>  <Name> (430)
MK-3903

>  <Synonyms> (430)
N/A

>  <Target> (430)
AMPK

>  <Form> (430)
Free Base

>  <CAS> (430)
1219737-12-8

>  <URL> (430)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/10161910362D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (431)
5284

>  <Formula> (431)
C27H25N5O2

>  <MolWeight> (431)
451.5197

>  <Cat> (431)
S8755

>  <Name> (431)
AZ304

>  <Synonyms> (431)
N/A

>  <Target> (431)
Raf

>  <Form> (431)
free base

>  <CAS> (431)
942507-42-8

>  <URL> (431)
http://www.selleck.cn/products/az304.html

$$$$

csChFnd80/10161910362D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    3.6289    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0179    1.0772    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  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
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 11 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
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
>  <Mol_ID> (432)
5336

>  <Formula> (432)
C21H19ClNO4+

>  <MolWeight> (432)
384.83286

>  <Cat> (432)
S1292

>  <Name> (432)
Chelerythrine Chloride

>  <Synonyms> (432)
N/A

>  <Target> (432)
PKC

>  <Form> (432)
Chloride

>  <CAS> (432)
3895-92-9

>  <URL> (432)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/10161910362D

 23 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    1.1282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    3.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9716    2.4071    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5410    3.6861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    4.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3258    4.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7945    1.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1868    1.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7562    2.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9333    3.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0097    0.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4020    0.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9715    1.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1486    2.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2270    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5008    5.1070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  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> (433)
5356

>  <Formula> (433)
C19H17N3O

>  <MolWeight> (433)
303.35778

>  <Cat> (433)
S2382

>  <Name> (433)
Evodiamine

>  <Synonyms> (433)
Isoevodiamine

>  <Target> (433)
NF-¦ÊB

>  <Form> (433)
Free Base

>  <CAS> (433)
518-17-2

>  <URL> (433)
http://www.selleck.cn/products/Evodiamine(Isoevodiamine).html

$$$$

csChFnd80/10161910362D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7049    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8976    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.8951    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.1976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (434)
5363

>  <Formula> (434)
C13H8Cl2N2O4

>  <MolWeight> (434)
327.11962

>  <Cat> (434)
S3030

>  <Name> (434)
Niclosamide

>  <Synonyms> (434)
Niclocide

>  <Target> (434)
STAT

>  <Form> (434)
Free Base

>  <CAS> (434)
50-65-7

>  <URL> (434)
http://www.selleck.cn/products/niclosamide-niclocide.html

$$$$

csChFnd80/10161910362D

 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
    8.4620   12.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4620   11.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4825    4.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6743   13.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318    4.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359    6.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8870   11.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2701    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2199    4.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6744   10.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8868   12.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (435)
5406

>  <Formula> (435)
C23H26N6O2

>  <MolWeight> (435)
418.49154

>  <Cat> (435)
S6414

>  <Name> (435)
Apilimod

>  <Synonyms> (435)
STA-5326

>  <Target> (435)
PI3K

>  <Form> (435)
Free Base

>  <CAS> (435)
541550-19-0

>  <URL> (435)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/10161910362D

 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
    4.8205    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   12.0951    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.2710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5504    6.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1645    5.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6836    6.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9419    5.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1025    6.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0049    8.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7465    8.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5859    7.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  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> (436)
5472

>  <Formula> (436)
C23H20FN7O

>  <MolWeight> (436)
429.4496032

>  <Cat> (436)
S8693

>  <Name> (436)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (436)
N/A

>  <Target> (436)
PI3K

>  <Form> (436)
Free Base

>  <CAS> (436)
2088525-31-7

>  <URL> (436)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/10161910362D

 50 56  0  0  0  0  0  0  0  0999 V2000
   16.9606    8.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9606    7.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1730    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3855    7.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3855    8.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1730    9.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7482    9.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  1  0  0  0  0
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 22 24  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 29  1  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 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 20 44  1  1  0  0  0
 44 45  1  0  0  0  0
  8 46  2  0  0  0  0
 46 47  1  0  0  0  0
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 48 49  2  0  0  0  0
 49  8  1  0  0  0  0
 47 50  1  0  0  0  0
M  END
>  <Mol_ID> (437)
5473

>  <Formula> (437)
C37H41N9O3S

>  <MolWeight> (437)
691.84494

>  <Cat> (437)
S8701

>  <Name> (437)
MK-8353 (SCH900353)

>  <Synonyms> (437)
N/A

>  <Target> (437)
ERK

>  <Form> (437)
Free Base

>  <CAS> (437)
1184173-73-6

>  <URL> (437)
http://www.selleck.cn/products/mk-8353-sch900353.html

$$$$

csChFnd80/10161910362D

 27 28  0  0  0  0  0  0  0  0999 V2000
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    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 14 15  1  0  0  0  0
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 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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M  END
>  <Mol_ID> (438)
5477

>  <Formula> (438)
C19H28Cl2N4O2

>  <MolWeight> (438)
415.35722

>  <Cat> (438)
S8769

>  <Name> (438)
Tinostamustine(EDO-S101)

>  <Synonyms> (438)
N/A

>  <Target> (438)
HDAC

>  <Form> (438)
Free Base

>  <CAS> (438)
1236199-60-2

>  <URL> (438)
http://www.selleck.cn/products/tinostamustine.html

$$$$

csChFnd80/10161910362D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  1  0  0  0  0
  2  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
  7 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  7  1  0  0  0  0
  6 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  6  1  0  0  0  0
 22 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
M  END
>  <Mol_ID> (439)
6755

>  <Formula> (439)
C20H20ClN5O2

>  <MolWeight> (439)
397.8581

>  <Cat> (439)
S6502

>  <Name> (439)
SD 0006

>  <Synonyms> (439)
N/A

>  <Target> (439)
p38 MAPK

>  <Form> (439)
free base

>  <CAS> (439)
271576-80-8

>  <URL> (439)
http://www.selleck.cn/products/sd-0006.html

$$$$

csChFnd80/10161910362D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  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
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  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
  5 13  1  0  0  0  0
  8 13  2  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
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 16 20  1  0  0  0  0
 14 17  1  0  0  0  0
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  6 21  2  0  0  0  0
  1 10  1  0  0  0  0
M  END
>  <Mol_ID> (440)
6757

>  <Formula> (440)
C15H14N4O2

>  <MolWeight> (440)
282.29726

>  <Cat> (440)
S6504

>  <Name> (440)
BX517

>  <Synonyms> (440)
N/A

>  <Target> (440)
PDK

>  <Form> (440)
free base

>  <CAS> (440)
850717-64-5

>  <URL> (440)
http://www.selleck.cn/products/bx517.html

$$$$

csChFnd80/10161910362D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  3  1  0  0  0  0
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 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
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 20 16  2  0  0  0  0
 19 21  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (441)
6759

>  <Formula> (441)
C16H15N3O2

>  <MolWeight> (441)
281.3092

>  <Cat> (441)
S6506

>  <Name> (441)
Compound 401

>  <Synonyms> (441)
N/A

>  <Target> (441)
DNA-PK

>  <Form> (441)
free base

>  <CAS> (441)
168425-64-7

>  <URL> (441)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/10161910362D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    3.6373    4.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    7.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4166    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3290    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   11.6622    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
  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
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 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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 20 21  1  0  0  0  0
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 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
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 33  1  0  0  0  0
 12 30  1  0  0  0  0
 14 34  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (442)
6767

>  <Formula> (442)
C21H28N8O3S2

>  <MolWeight> (442)
504.62882

>  <Cat> (442)
S6516

>  <Name> (442)
GNE-477

>  <Synonyms> (442)
N/A

>  <Target> (442)
PI3K

>  <Form> (442)
free base

>  <CAS> (442)
1032754-81-6

>  <URL> (442)
http://www.selleck.cn/products/gne-477.html

$$$$

csChFnd80/10161910362D

 38 42  0  0  0  0  0  0  0  0999 V2000
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    1.4000    7.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    8.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    9.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   10.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249   12.0524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    9.9524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.0524    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4524    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.4524    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   10.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  4 10  1  0  0  0  0
 14 15  1  0  0  0  0
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 27 28  1  0  0  0  0
 25 26  1  0  0  0  0
 20 28  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 34  1  0  0  0  0
 29 34  2  0  0  0  0
 36 37  1  0  0  0  0
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 32 35  1  0  0  0  0
 28 29  1  0  0  0  0
 16 24  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
>  <Mol_ID> (443)
6783

>  <Formula> (443)
C29H24F3N5O

>  <MolWeight> (443)
515.5289696

>  <Cat> (443)
S6538

>  <Name> (443)
B-Raf IN 1

>  <Synonyms> (443)
N/A

>  <Target> (443)
Raf

>  <Form> (443)
free base

>  <CAS> (443)
950736-05-7

>  <URL> (443)
http://www.selleck.cn/products/b-rafin-1.html

$$$$

csChFnd80/10161910362D

 31 34  0  0  0  0  0  0  0  0999 V2000
   15.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    1.2123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    8.4869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  1  2  1  0  0  0  0
  6  7  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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 15 22  1  0  0  0  0
  9 18  1  0  0  0  0
  6 31  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (444)
6784

>  <Formula> (444)
C20H14Cl2FN5O2S

>  <MolWeight> (444)
478.3268632

>  <Cat> (444)
S6541

>  <Name> (444)
MTX-211

>  <Synonyms> (444)
N/A

>  <Target> (444)
EGFR

>  <Form> (444)
free base

>  <CAS> (444)
1952236-05-3

>  <URL> (444)
http://www.selleck.cn/products/mtx-211.html

$$$$

csChFnd80/10161910362D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    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
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    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
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 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
 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
 20 23  1  0  0  0  0
 25 26  1  0  0  0  0
 19 25  1  0  0  0  0
 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> (445)
6798

>  <Formula> (445)
C19H20N4O3

>  <MolWeight> (445)
352.3871

>  <Cat> (445)
S6571

>  <Name> (445)
BQR695

>  <Synonyms> (445)
NVP-BQR695

>  <Target> (445)
PI4K

>  <Form> (445)
free base

>  <CAS> (445)
1513879-21-4

>  <URL> (445)
http://www.selleck.cn/products/bqr695.html

$$$$

csChFnd80/10161910362D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.6993    8.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    8.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.8464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    8.2463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    6.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0307    8.6791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8538    7.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0308    6.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.8462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4635    5.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5267    4.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9593    2.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3287    2.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2654    3.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8327    4.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7614    1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1442    0.8694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0251    1.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    8.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4247    4.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0462    0.0000 Cl  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
  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
  8  9  2  0  0  0  0
  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
 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
 13 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 16 19  1  0  0  0  0
  9 13  1  0  0  0  0
 12 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 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> (446)
6800

>  <Formula> (446)
C22H18ClN5O2

>  <MolWeight> (446)
419.86362

>  <Cat> (446)
S6574

>  <Name> (446)
KDU691

>  <Synonyms> (446)
N/A

>  <Target> (446)
PI4K

>  <Form> (446)
free base

>  <CAS> (446)
1513879-19-0

>  <URL> (446)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/10161910362D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 N   0  3  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
    4.8497    4.9000    0.0000 N   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
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    5.6000    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
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 27  1  0  0  0  0
  6 32  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  2  0  0  0  0
  9 23  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  2  0  0  0  0
 11 24  1  0  0  0  0
 12 23  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (447)
6803

>  <Formula> (447)
C20H25F3N6O3

>  <MolWeight> (447)
454.4461096

>  <Cat> (447)
S6577

>  <Name> (447)
PKC-theta inhibitor

>  <Synonyms> (447)
N/A

>  <Target> (447)
PKC

>  <Form> (447)
free base

>  <CAS> (447)
736048-65-0

>  <URL> (447)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/10161910362D

 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
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    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (448)
6823

>  <Formula> (448)
C21H24N4O4

>  <MolWeight> (448)
396.43966

>  <Cat> (448)
S8743

>  <Name> (448)
SKLB-23bb

>  <Synonyms> (448)
N/A

>  <Target> (448)
HDAC

>  <Form> (448)
free base

>  <CAS> (448)
1815580-06-3

>  <URL> (448)
http://www.selleck.cn/products/sklb-23bb.html

$$$$

csChFnd80/10161910362D

 33 37  0  0  0  0  0  0  0  0999 V2000
    5.5282    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5282    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2277    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2277    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.0774    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8650    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6525    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8650    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0368    2.9306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    4.8923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  3  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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  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 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  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
 19 24  1  0  0  0  0
 18 21  1  0  0  0  0
 15 18  1  0  0  0  0
 10 11  1  0  0  0  0
  4 10  1  0  0  0  0
  2  6  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 25 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 29 33  2  0  0  0  0
 28 30  2  0  0  0  0
  2 26  1  0  0  0  0
M  END
>  <Mol_ID> (449)
6831

>  <Formula> (449)
C25H23N5O2S

>  <MolWeight> (449)
457.54742

>  <Cat> (449)
S8867

>  <Name> (449)
Bentamapimod

>  <Synonyms> (449)
N/A

>  <Target> (449)
JNK

>  <Form> (449)
free base

>  <CAS> (449)
848344-36-5

>  <URL> (449)
http://www.selleck.cn/products/bentamapimod.html

$$$$
