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>  <Mol_ID> (1)
13

>  <Formula> (1)
C53H84NO14P

>  <MolWeight> (1)
990.206121

>  <Cat> (1)
S1022

>  <Name> (1)
Deforolimus (MK-8669) 

>  <Synonyms> (1)
AP23573, MK-8669

>  <Target> (1)
mTOR

>  <Form> (1)
Free Base

>  <CAS> (1)
572924-54-0

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

$$$$
untitled.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (2)
21

>  <Formula> (2)
C28H22F3N7O

>  <MolWeight> (2)
529.5157896

>  <Cat> (2)
S1033

>  <Name> (2)
Nilotinib (AMN-107)

>  <Synonyms> (2)
Tasigna 

>  <Target> (2)
Bcr-Abl

>  <Form> (2)
Free Base

>  <CAS> (2)
641571-10-0

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

$$$$
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M  END
>  <Mol_ID> (3)
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>  <Formula> (3)
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>  <MolWeight> (3)
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>  <Name> (3)
PI-103

>  <Synonyms> (3)
N/A

>  <Target> (3)
DNA-PK, PI3K, mTOR

>  <Form> (3)
Free Base

>  <CAS> (3)
371935-74-9

>  <URL> (3)
http://www.selleckchem.com/products/PI-103.html

$$$$
RAPAMYCIN.cdx
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>  <Mol_ID> (4)
27

>  <Formula> (4)
C51H79NO13

>  <MolWeight> (4)
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>  <Cat> (4)
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>  <Name> (4)
Rapamycin (Sirolimus)

>  <Synonyms> (4)
N/A 

>  <Target> (4)
mTOR 

>  <Form> (4)
Free Base

>  <CAS> (4)
53123-88-9

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

$$$$
untitled.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (5)
41

>  <Formula> (5)
C23H27N7O3S2

>  <MolWeight> (5)
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>  <Cat> (5)
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>  <Name> (5)
Pictilisib (GDC-0941)

>  <Synonyms> (5)
RG7321

>  <Target> (5)
PI3K 

>  <Form> (5)
Free Base

>  <CAS> (5)
957054-30-7

>  <URL> (5)
http://www.selleckchem.com/products/GDC-0941.html

$$$$
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280744-09-4

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http://www.selleckchem.com/products/SB-216763.html

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p38 MAPK 

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Free Base

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152121-47-6

>  <URL> (8)
http://www.selleckchem.com/products/SB-203580.html

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MK-2206 dihydrochloride

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>  <Target> (9)
Akt

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Dihydrochloride

>  <CAS> (9)
1032350-13-2

>  <URL> (9)
http://www.selleckchem.com/products/MK-2206.html

$$$$
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ATM 

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587871-26-9

>  <URL> (10)
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74

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C53H83NO14

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S1120

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Everolimus (RAD001)

>  <Synonyms> (14)
Certican, Zortress, Afinitor

>  <Target> (14)
mTOR

>  <Form> (14)
Free Base

>  <CAS> (14)
159351-69-6

>  <URL> (14)
http://www.selleckchem.com/products/Everolimus(RAD001).html

$$$$
TGX-221.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (15)
99

>  <Formula> (15)
C21H24N4O2

>  <MolWeight> (15)
364.44086

>  <Cat> (15)
S1169

>  <Name> (15)
TGX-221

>  <Synonyms> (15)
N/A

>  <Target> (15)
PI3K

>  <Form> (15)
Free Base

>  <CAS> (15)
663619-89-4

>  <URL> (15)
http://www.selleckchem.com/products/TGX-221.html

$$$$
cyc116.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (16)
101

>  <Formula> (16)
C18H20N6OS

>  <MolWeight> (16)
368.456

>  <Cat> (16)
S1171

>  <Name> (16)
CYC116

>  <Synonyms> (16)
N/A

>  <Target> (16)
Aurora Kinase, VEGFR

>  <Form> (16)
Free Base

>  <CAS> (16)
693228-63-6

>  <URL> (16)
http://www.selleckchem.com/products/CYC116.html

$$$$
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>  <Mol_ID> (17)
126

>  <Formula> (17)
C27H30ClNO11

>  <MolWeight> (17)
579.9802

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S1208

>  <Name> (17)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (17)
N/A 

>  <Target> (17)
Topoisomerase

>  <Form> (17)
Hydrochloride

>  <CAS> (17)
25316-40-9

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

$$$$
KU-0063794.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (18)
136

>  <Formula> (18)
C25H31N5O4

>  <MolWeight> (18)
465.54474

>  <Cat> (18)
S1226

>  <Name> (18)
Ku-0063794

>  <Synonyms> (18)
N/A

>  <Target> (18)
mTOR 

>  <Form> (18)
Free Base

>  <CAS> (18)
938440-64-3

>  <URL> (18)
http://www.selleckchem.com/products/KU-0063794.html

$$$$
WYE-354.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (19)
158

>  <Formula> (19)
C24H29N7O5

>  <MolWeight> (19)
495.53096

>  <Cat> (19)
S1266

>  <Name> (19)
WYE-354

>  <Synonyms> (19)
N/A

>  <Target> (19)
mTOR 

>  <Form> (19)
Free Base

>  <CAS> (19)
1062169-56-5

>  <URL> (19)
http://www.selleckchem.com/products/WYE-354.html

$$$$
TG100-115.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (20)
227

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C18H14N6O2

>  <MolWeight> (20)
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TG100-115

>  <Synonyms> (20)
N/A

>  <Target> (20)
PI3K

>  <Form> (20)
Free Base

>  <CAS> (20)
677297-51-7

>  <URL> (20)
http://www.selleckchem.com/products/TG100-115.html

$$$$
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1225497-78-8

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mTOR

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1009298-09-2

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 14  9  1  0  0  0  0
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 20 15  1  0  0  0  0
 17 21  2  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 23 26  2  0  0  0  0
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 27 28  1  0  0  0  0
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M  END
>  <Mol_ID> (30)
350

>  <Formula> (30)
C30H33N3O5S

>  <MolWeight> (30)
547.66512

>  <Cat> (30)
S1570

>  <Name> (30)
KU-60019

>  <Synonyms> (30)
N/A

>  <Target> (30)
ATM 

>  <Form> (30)
Free Base

>  <CAS> (30)
925701-49-1

>  <URL> (30)
http://www.selleckchem.com/products/KU-60019.html

$$$$
ALINIA (nitazoxanide).cdx
csChFnd80/01142111162D

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   11.3852    5.9938    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
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  5 11  1  0  0  0  0
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 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (31)
377

>  <Formula> (31)
C12H9N3O5S

>  <MolWeight> (31)
307.28196

>  <Cat> (31)
S1627

>  <Name> (31)
Nitazoxanide (Alinia, Annita)

>  <Synonyms> (31)
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazox, Toza

>  <Target> (31)
Others

>  <Form> (31)
Free Base

>  <CAS> (31)
55981-09-4

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

$$$$
Artemisinin.cdx
csChFnd80/01142111162D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  4  8  1  0  0  0  0
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  3 14  1  0  0  0  0
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  3 23  1  1  0  0  0
M  END
>  <Mol_ID> (32)
390

>  <Formula> (32)
C15H22O5

>  <MolWeight> (32)
282.33218

>  <Cat> (32)
S1282

>  <Name> (32)
Artemisinin

>  <Synonyms> (32)
Qinghaosu

>  <Target> (32)
Antifection

>  <Form> (32)
Free Base

>  <CAS> (32)
63968-64-9

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

$$$$
clemastine fumarate.cdx
csChFnd80/01142111162D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.2569    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8900    6.4325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.8404    4.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (33)
479

>  <Formula> (33)
C25H30ClNO5

>  <MolWeight> (33)
459.9624

>  <Cat> (33)
S1847

>  <Name> (33)
Clemastine Fumarate

>  <Synonyms> (33)
Tavist, Agasten 

>  <Target> (33)
Histamine Receptor

>  <Form> (33)
Fumarate

>  <CAS> (33)
14976-57-9

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/01142111162D

 10  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (34)
486

>  <Formula> (34)
C4H12ClN5

>  <MolWeight> (34)
165.62458

>  <Cat> (34)
S1950

>  <Name> (34)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (34)
Glucophage, Riomet, Diabex

>  <Target> (34)
Others

>  <Form> (34)
Hydrochloride

>  <CAS> (34)
1115-70-4

>  <URL> (34)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Indirubin.cdx
csChFnd80/01142111162D

 20 23  0  0  0  0  0  0  0  0999 V2000
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527

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C16H10N2O2

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262.2628

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Indirubin

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N/A

>  <Target> (35)
GSK-3

>  <Form> (35)
Free Base

>  <CAS> (35)
479-41-4 

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

$$$$
CHIR-98014.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (36)
550

>  <Formula> (36)
C20H17Cl2N9O2

>  <MolWeight> (36)
486.31408

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CHIR-98014

>  <Synonyms> (36)
N/A

>  <Target> (36)
GSK-3

>  <Form> (36)
Free Base

>  <CAS> (36)
252935-94-7

>  <URL> (36)
http://www.selleckchem.com/products/chir-98014.html

$$$$
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csChFnd80/01142111162D

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555

>  <Formula> (37)
C32H29F3N6O6

>  <MolWeight> (37)
650.6044696

>  <Cat> (37)
S2749

>  <Name> (37)
NVP-BGT226

>  <Synonyms> (37)
N/A 

>  <Target> (37)
PI3K, mTOR

>  <Form> (37)
Maleate

>  <CAS> (37)
1245537-68-1

>  <URL> (37)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (38)
557

>  <Formula> (38)
C25H21N7O3

>  <MolWeight> (38)
467.47934

>  <Cat> (38)
S1219

>  <Name> (38)
YM201636

>  <Synonyms> (38)
N/A

>  <Target> (38)
PI3K 

>  <Form> (38)
Free Base

>  <CAS> (38)
371942-69-7

>  <URL> (38)
http://www.selleckchem.com/products/ym201636.html

$$$$
3-Methyladenine.cdx
csChFnd80/01142111162D

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5142-23-4

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702675-74-9

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702674-56-4

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>  <URL> (42)
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625

>  <Formula> (47)
C15H10O7

>  <MolWeight> (47)
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>  <Name> (47)
Quercetin (Sophoretin)

>  <Synonyms> (47)
Meletin, Quercetine

>  <Target> (47)
PI3K, PKC, Src, Sirtuin

>  <Form> (47)
Free Base

>  <CAS> (47)
117-39-5

>  <URL> (47)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

$$$$
Salidroside.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (48)
629

>  <Formula> (48)
C14H20O7

>  <MolWeight> (48)
300.3044

>  <Cat> (48)
S2396

>  <Name> (48)
Salidroside (Rhodioloside)

>  <Synonyms> (48)
Rhodioloside

>  <Target> (48)
Others

>  <Form> (48)
Free Base

>  <CAS> (48)
10338-51-9

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

$$$$
PIK 293.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (49)
681

>  <Formula> (49)
C22H19N7O

>  <MolWeight> (49)
397.43256

>  <Cat> (49)
S2207

>  <Name> (49)
PIK-293

>  <Synonyms> (49)
N/A

>  <Target> (49)
PI3K

>  <Form> (49)
Free Base

>  <CAS> (49)
900185-01-5 

>  <URL> (49)
http://www.selleckchem.com/products/PIK-293.html

$$$$
PP442.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (50)
687

>  <Formula> (50)
C16H16N6O

>  <MolWeight> (50)
308.33784

>  <Cat> (50)
S2218

>  <Name> (50)
Torkinib (PP242)

>  <Synonyms> (50)
TORKinib 

>  <Target> (50)
mTOR

>  <Form> (50)
Free Base

>  <CAS> (50)
1092351-67-1

>  <URL> (50)
http://www.selleckchem.com/products/PP242.html

$$$$
(+)-Usniacin.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (51)
691

>  <Formula> (51)
C18H16O7

>  <MolWeight> (51)
344.31544

>  <Cat> (51)
S2252

>  <Name> (51)
(+)-Usniacin (D-Usnic acid)

>  <Synonyms> (51)
D-Usnic acid

>  <Target> (51)
Others

>  <Form> (51)
Free Base

>  <CAS> (51)
7562-61-0

>  <URL> (51)
http://www.selleckchem.com/products/(+)-Usniacin(D-Usnic-acid).html

$$$$
Apigenin.cdx
csChFnd80/01142111162D

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    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (52)
697

>  <Formula> (52)
C15H10O5

>  <MolWeight> (52)
270.2369

>  <Cat> (52)
S2262

>  <Name> (52)
Apigenin

>  <Synonyms> (52)
N/A

>  <Target> (52)
P450

>  <Form> (52)
Free Base

>  <CAS> (52)
520-36-5

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

$$$$
Honokiol.cdx
csChFnd80/01142111162D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (53)
733

>  <Formula> (53)
C18H18O2

>  <MolWeight> (53)
266.33432

>  <Cat> (53)
S2310

>  <Name> (53)
Honokiol

>  <Synonyms> (53)
N/A

>  <Target> (53)
Akt, MEK

>  <Form> (53)
Free Base

>  <CAS> (53)
35354-74-6

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

$$$$
Myricetin.cdx
csChFnd80/01142111162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    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
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (54)
745

>  <Formula> (54)
C15H10O8

>  <MolWeight> (54)
318.2351

>  <Cat> (54)
S2326

>  <Name> (54)
Myricetin (Cannabiscetin)

>  <Synonyms> (54)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (54)
NULL

>  <Form> (54)
Free Base

>  <CAS> (54)
529-44-2

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

$$$$
Oridonin.cdx
csChFnd80/01142111162D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.5553    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5553    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7677    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5097    5.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1465    5.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    6.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    6.8823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9105    8.4019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4641    6.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1677    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1062    7.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5654    1.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3429    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1884    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8719    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624    7.8722    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
  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
  7  8  1  0  0  0  0
  8  1  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
  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15  9  1  0  0  0  0
  9  7  1  1  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  2  0  0  0  0
 10 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  6  0  0  0
  1 21  1  6  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  5 24  1  1  0  0  0
  6 25  1  1  0  0  0
 25 26  1  0  0  0  0
  7 26  1  1  0  0  0
 12 27  1  6  0  0  0
 13 28  1  6  0  0  0
M  END
>  <Mol_ID> (55)
752

>  <Formula> (55)
C20H28O6

>  <MolWeight> (55)
364.43272

>  <Cat> (55)
S2335

>  <Name> (55)
Oridonin (Isodonol)

>  <Synonyms> (55)
Isodonol

>  <Target> (55)
Others

>  <Form> (55)
Free Base

>  <CAS> (55)
28957-04-2

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/01142111162D

 24 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
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    3.8440    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
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (56)
762

>  <Formula> (56)
C15H14O9

>  <MolWeight> (56)
338.26626

>  <Cat> (56)
S2347

>  <Name> (56)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (56)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (56)
Others

>  <Form> (56)
Dihydrate

>  <CAS> (56)
6151-25-3

>  <URL> (56)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/01142111162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (57)
767

>  <Formula> (57)
C15H12O8

>  <MolWeight> (57)
320.25098

>  <Cat> (57)
S2399

>  <Name> (57)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (57)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (57)
Others

>  <Form> (57)
Free Base

>  <CAS> (57)
27200-12-0

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

$$$$
Sophocarpine.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (58)
770

>  <Formula> (58)
C15H22N2O

>  <MolWeight> (58)
246.34798

>  <Cat> (58)
S2405

>  <Name> (58)
Sophocarpine

>  <Synonyms> (58)
N/A

>  <Target> (58)
Others

>  <Form> (58)
Free Base

>  <CAS> (58)
6483-15-4

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

$$$$
Chrysophanic acid.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (59)
771

>  <Formula> (59)
C15H10O4

>  <MolWeight> (59)
254.2375

>  <Cat> (59)
S2406

>  <Name> (59)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (59)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (59)
EGFR, mTOR

>  <Form> (59)
Free Base

>  <CAS> (59)
481-74-3

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

$$$$
TAK-901.cdx
csChFnd80/01142111162D

 36 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (60)
796

>  <Formula> (60)
C28H32N4O3S

>  <MolWeight> (60)
504.64368

>  <Cat> (60)
S2718

>  <Name> (60)
TAK-901

>  <Synonyms> (60)
N/A

>  <Target> (60)
Aurora Kinase

>  <Form> (60)
Free Base

>  <CAS> (60)
934541-31-8

>  <URL> (60)
http://www.selleckchem.com/products/tak-901.html

$$$$
GSK2126458.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (61)
812

>  <Formula> (61)
C25H17F2N5O3S

>  <MolWeight> (61)
505.4959864

>  <Cat> (61)
S2658

>  <Name> (61)
Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (61)
N/A 

>  <Target> (61)
PI3K, mTOR

>  <Form> (61)
Free Base

>  <CAS> (61)
1086062-66-9 

>  <URL> (61)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
CAL-1011.cdx
csChFnd80/01142111162D

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PI3K

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944396-07-0

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1144068-46-1

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http://www.selleckchem.com/products/wye-125132.html

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601514-19-6

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http://www.selleckchem.com/products/TWS119.html

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M  END
>  <Mol_ID> (94)
1172

>  <Formula> (94)
C20H22BrCl2N3O2S

>  <MolWeight> (94)
519.28258

>  <Cat> (94)
S1582

>  <Name> (94)
H 89 2HCl

>  <Synonyms> (94)
N/A

>  <Target> (94)
S6 Kinase

>  <Form> (94)
Dihydrochloride

>  <CAS> (94)
130964-39-5

>  <URL> (94)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

$$$$
aicar.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (95)
1256

>  <Formula> (95)
C9H14N4O5

>  <MolWeight> (95)
258.23126

>  <Cat> (95)
S1802

>  <Name> (95)
AICAR (Acadesine)

>  <Synonyms> (95)
AICAR, AICA-riboside

>  <Target> (95)
AMPK

>  <Form> (95)
Free Base

>  <CAS> (95)
2627-69-2

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

$$$$
PF-04708671.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (96)
1260

>  <Formula> (96)
C19H21F3N6

>  <MolWeight> (96)
390.4054496

>  <Cat> (96)
S2163

>  <Name> (96)
PF-4708671

>  <Synonyms> (96)
PF-04708671

>  <Target> (96)
S6 Kinase

>  <Form> (96)
Free Base

>  <CAS> (96)
1255517-76-0

>  <URL> (96)
http://www.selleckchem.com/products/pf-4708671.html

$$$$
untitled.cdx
csChFnd80/01142111162D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (97)
1463

>  <Formula> (97)
C13H16N6O4

>  <MolWeight> (97)
320.30394

>  <Cat> (97)
S1117

>  <Name> (97)
Triciribine

>  <Synonyms> (97)
N/A

>  <Target> (97)
Akt

>  <Form> (97)
Free Base

>  <CAS> (97)
35943-35-2

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

$$$$
Flufenamic acid.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (98)
1489

>  <Formula> (98)
C14H10F3NO2

>  <MolWeight> (98)
281.2299096

>  <Cat> (98)
S4268

>  <Name> (98)
Flufenamic acid

>  <Synonyms> (98)
N/A

>  <Target> (98)
COX

>  <Form> (98)
Free Base

>  <CAS> (98)
530-78-9

>  <URL> (98)
http://www.selleckchem.com/products/flufenamic-acid.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (99)
1534

>  <Formula> (99)
C44H69NO12

>  <MolWeight> (99)
804.01816

>  <Cat> (99)
S5003

>  <Name> (99)
Tacrolimus (FK506)

>  <Synonyms> (99)
FR900506

>  <Target> (99)
mTOR

>  <Form> (99)
Free Base

>  <CAS> (99)
104987-11-3

>  <URL> (99)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (100)
1537

>  <Formula> (100)
C56H87NO16

>  <MolWeight> (100)
1030.28708

>  <Cat> (100)
S1044

>  <Name> (100)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (100)
N/A

>  <Target> (100)
mTOR

>  <Form> (100)
Free Base

>  <CAS> (100)
162635-04-3

>  <URL> (100)
http://www.selleckchem.com/products/Temsirolimus.html

$$$$
Danthron.cdx
csChFnd80/01142111162D

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  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (101)
1594

>  <Formula> (101)
C14H8O4

>  <MolWeight> (101)
240.21092

>  <Cat> (101)
S4561

>  <Name> (101)
Danthron

>  <Synonyms> (101)
chrysazin, Antrapurol

>  <Target> (101)
Others

>  <Form> (101)
Free Base

>  <CAS> (101)
117-10-2

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

$$$$
S4711 Esculetin.cdx
csChFnd80/01142111162D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 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
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (102)
1702

>  <Formula> (102)
C9H6O4

>  <MolWeight> (102)
178.14154

>  <Cat> (102)
S4711

>  <Name> (102)
Esculetin

>  <Synonyms> (102)
Cichorigenin|Aesculetin

>  <Target> (102)
Others

>  <Form> (102)
Free Base

>  <CAS> (102)
305-01-1

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

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/01142111162D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.6900    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    7.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2652    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0527    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    2.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    2.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    0.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    4.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1149    7.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    8.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  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
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (103)
1878

>  <Formula> (103)
C16H16O4

>  <MolWeight> (103)
272.29584

>  <Cat> (103)
S3940

>  <Name> (103)
3'-Hydroxypterostilbene

>  <Synonyms> (103)
3'-HPT

>  <Target> (103)
Others

>  <Form> (103)
free base

>  <CAS> (103)
475231-21-1

>  <URL> (103)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/01142111162D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.5458    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    2.1429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1209    2.8429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9085    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    4.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173    4.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9749    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2155    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9804    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7583    0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3742    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4280    2.7977    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
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  4  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (104)
1883

>  <Formula> (104)
C18H22O4

>  <MolWeight> (104)
302.36488

>  <Cat> (104)
S3984

>  <Name> (104)
Nordihydroguaiaretic acid

>  <Synonyms> (104)
N/A

>  <Target> (104)
lipoxygenase

>  <Form> (104)
free base

>  <CAS> (104)
500-38-9

>  <URL> (104)
http://www.selleckchem.com/products/nordihydroguaiaretic-acid.html

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/01142111162D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1100    3.6488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5066    3.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900    1.2240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3900    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    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  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7  9  1  0  0  0  0
  9 11  1  6  0  0  0
M  END
>  <Mol_ID> (105)
1888

>  <Formula> (105)
C6H13NO4

>  <MolWeight> (105)
163.17172

>  <Cat> (105)
S3839

>  <Name> (105)
1-Deoxynojirimycin

>  <Synonyms> (105)
duvoglustat, moranolin

>  <Target> (105)
¦Á-glucosidase

>  <Form> (105)
free base

>  <CAS> (105)
19130-96-2

>  <URL> (105)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3836 6-Gingerol.cdx
csChFnd80/01142111162D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.8540    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4914    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    4.8939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9162    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1287    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3411    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5535    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7660    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    2.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    2.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    4.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    4.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
  1 12  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (106)
1905

>  <Formula> (106)
C17H26O4

>  <MolWeight> (106)
294.38594

>  <Cat> (106)
S3836

>  <Name> (106)
6-Gingerol

>  <Synonyms> (106)
CI-1011

>  <Target> (106)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (106)
free base

>  <CAS> (106)
23513-14-6

>  <URL> (106)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/01142111162D

 58 65  0  0  0  0  0  0  0  0999 V2000
    9.6984    9.2105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4740    8.5036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9007    8.5163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4602    9.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6984   10.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4740    7.0593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2549    9.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480    9.2364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9007    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090   11.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465    6.3343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2584    6.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0158    8.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480   10.6287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4779    8.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6659    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465    4.9347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0509    7.0503    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1859    5.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4140   11.1992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9684   12.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3011    9.9945    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9715    4.2274    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.6264   11.8992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7011    9.9945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9756    2.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2132    4.9492    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6317    7.0470    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.9079   12.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7459   13.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2364   10.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2474    2.0903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4215    4.2517    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4161    6.3429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6298    8.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 38 39  1  0  0  0  0
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 46 53  1  0  0  0  0
 49 54  1  6  0  0  0
 29 58  1  6  0  0  0
M  END
>  <Mol_ID> (107)
1980

>  <Formula> (107)
C41H68O14

>  <MolWeight> (107)
784.97022

>  <Cat> (107)
S3901

>  <Name> (107)
Astragaloside IV

>  <Synonyms> (107)
AST-IV, AS-IV

>  <Target> (107)
Others

>  <Form> (107)
free base

>  <CAS> (107)
84687-43-4

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

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/01142111162D

 32 37  0  0  0  0  0  0  0  0999 V2000
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  8 18  1  1  0  0  0
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 10  9  1  0  0  0  0
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 14 10  1  0  0  0  0
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 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (108)
1982

>  <Formula> (108)
C20H24O11

>  <MolWeight> (108)
440.39796

>  <Cat> (108)
S3781

>  <Name> (108)
Ginkgolide C

>  <Synonyms> (108)
BN-52022

>  <Target> (108)
Others

>  <Form> (108)
free base

>  <CAS> (108)
15291-76-6

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

$$$$
Torin 1.cdx
csChFnd80/01142111162D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (109)
2008

>  <Formula> (109)
C35H28F3N5O2

>  <MolWeight> (109)
607.6243296

>  <Cat> (109)
S2827

>  <Name> (109)
Torin 1

>  <Synonyms> (109)
N/A 

>  <Target> (109)
mTOR

>  <Form> (109)
Free Base

>  <CAS> (109)
1222998-36-8

>  <URL> (109)
http://www.selleckchem.com/products/torin-1.html

$$$$
TG 100713.cdx
csChFnd80/01142111162D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  3 13  1  0  0  0  0
  1 19  1  0  0  0  0
M  END
>  <Mol_ID> (110)
2013

>  <Formula> (110)
C12H10N6O

>  <MolWeight> (110)
254.2474

>  <Cat> (110)
S2870

>  <Name> (110)
TG 100713

>  <Synonyms> (110)
N/A

>  <Target> (110)
PI3K

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925705-73-3

>  <URL> (110)
http://www.selleckchem.com/products/tg-100713.html

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C23H18Cl3FN4O3S

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ATM/ATR

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Free Base

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905973-89-9

>  <URL> (111)
http://www.selleckchem.com/products/cgk-733.html

$$$$
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C11H17N5O2

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NU6027

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N/A

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CDK

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Free Base

>  <CAS> (112)
220036-08-8

>  <URL> (112)
http://www.selleckchem.com/products/nu6027.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (113)
2040

>  <Formula> (113)
C18H32ClN3O8P2

>  <MolWeight> (113)
515.862502

>  <Cat> (113)
S4157

>  <Name> (113)
Chloroquine Phosphate

>  <Synonyms> (113)
N/A

>  <Target> (113)
Others

>  <Form> (113)
Diphosphate

>  <CAS> (113)
50-63-5

>  <URL> (113)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
S4953 Usnic acid.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (114)
2213

>  <Formula> (114)
C18H16O7

>  <MolWeight> (114)
344.31544

>  <Cat> (114)
S4953

>  <Name> (114)
Usnic acid

>  <Synonyms> (114)
Usniacin

>  <Target> (114)
Others

>  <Form> (114)
free base

>  <CAS> (114)
125-46-2

>  <URL> (114)
http://selleckchem.com/products/usnic-acid.html

$$$$
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M  END
>  <Mol_ID> (115)
2216

>  <Formula> (115)
C32H40O8

>  <MolWeight> (115)
552.6552

>  <Cat> (115)
S3832

>  <Name> (115)
Euphorbiasteroid

>  <Synonyms> (115)
Euphorbia factor L1

>  <Target> (115)
Others

>  <Form> (115)
free base

>  <CAS> (115)
28649-59-4

>  <URL> (115)
http://selleckchem.com/products/euphorbiasteroid.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (116)
2271

>  <Formula> (116)
C47H80O18

>  <MolWeight> (116)
933.1273

>  <Cat> (116)
S3785

>  <Name> (116)
Notoginsenoside R1

>  <Synonyms> (116)
Sanchinoside R1

>  <Target> (116)
Others

>  <Form> (116)
free base

>  <CAS> (116)
80418-24-2

>  <URL> (116)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/01142111162D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (117)
2284

>  <Formula> (117)
C29H36O15

>  <MolWeight> (117)
624.58714

>  <Cat> (117)
S2323

>  <Name> (117)
Methyl-Hesperidin

>  <Form> (117)
free base

>  <CAS> (117)
 11013-97-1

$$$$
S3810 Scutellarin.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (118)
2289

>  <Formula> (118)
C21H18O12

>  <MolWeight> (118)
462.36042

>  <Cat> (118)
S3810

>  <Name> (118)
Scutellarin

>  <Synonyms> (118)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (118)
Others

>  <Form> (118)
free base

>  <CAS> (118)
27740-01-8

>  <URL> (118)
http://www.selleckchem.com/products/scutellarin.html

$$$$
untitled.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (119)
2293

>  <Formula> (119)
C22H24BrFN4O2

>  <MolWeight> (119)
475.3539632

>  <Cat> (119)
S1046

>  <Name> (119)
Vandetanib (ZD6474)

>  <Synonyms> (119)
N/A

>  <Target> (119)
VEGFR

>  <Form> (119)
Free Base

>  <CAS> (119)
443913-73-3

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

$$$$
untitled.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (120)
2297

>  <Formula> (120)
C21H46NO4P

>  <MolWeight> (120)
407.568001

>  <Cat> (120)
S3056

>  <Name> (120)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (120)
N/A

>  <Target> (120)
Akt

>  <Form> (120)
Free Base

>  <CAS> (120)
58066-85-6

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

$$$$
NU7026.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (121)
2302

>  <Formula> (121)
C17H15NO3

>  <MolWeight> (121)
281.3059

>  <Cat> (121)
S2893

>  <Name> (121)
NU7026

>  <Synonyms> (121)
N/A

>  <Target> (121)
DNA-PK

>  <Form> (121)
Free Base

>  <CAS> (121)
154447-35-5

>  <URL> (121)
http://www.selleckchem.com/products/nu7026.html

$$$$
VE-821.cdx
csChFnd80/01142111162D

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mTOR

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1207360-89-1

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https://www.selleckchem.com/products/gdc-0349.html

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2376

>  <Formula> (127)
C21H16N6O2S2

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XL147 analogue

>  <Synonyms> (127)
SAR245408

>  <Target> (127)
PI3K 

>  <Form> (127)
Free Base

>  <CAS> (127)
956958-53-5

>  <URL> (127)
http://www.selleckchem.com/products/XL147.html

$$$$
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csChFnd80/01142111162D

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>  <Mol_ID> (128)
2380

>  <Formula> (128)
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PIK-75 

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N/A

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PI3K, DNA-PK

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Hydrochloride

>  <CAS> (128)
372196-77-5

>  <URL> (128)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
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csChFnd80/01142111162D

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>  <Mol_ID> (129)
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>  <Formula> (129)
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>  <MolWeight> (129)
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>  <Name> (129)
Perifosine (KRX-0401)

>  <Synonyms> (129)
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>  <Target> (129)
Akt

>  <Form> (129)
Free Base

>  <CAS> (129)
157716-52-4

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

$$$$
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N/A

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PI3K, mTOR

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Free Base

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958852-01-2

>  <URL> (130)
http://www.selleckchem.com/products/GSK1059615.html

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2451

>  <Formula> (131)
C32H41N9O4

>  <MolWeight> (131)
615.72584

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S2628

>  <Name> (131)
PF-05212384 (PKI-587)

>  <Synonyms> (131)
N/A 

>  <Target> (131)
mTOR, PI3K

>  <Form> (131)
Free Base

>  <CAS> (131)
1197160-78-3

>  <URL> (131)
http://www.selleckchem.com/products/pki587.html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/01142111162D

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>  <Mol_ID> (132)
2455

>  <Formula> (132)
C25H19NO3S

>  <MolWeight> (132)
413.48826

>  <Cat> (132)
S2638

>  <Name> (132)
NU7441(KU-57788)

>  <Synonyms> (132)
N/A 

>  <Target> (132)
DNA-PK, PI3K

>  <Form> (132)
Free Base

>  <CAS> (132)
503468-95-9 

>  <URL> (132)
http://www.selleckchem.com/products/nu7441.html

$$$$
ATP disodium salt.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (133)
2458

>  <Formula> (133)
C10H14N5Na2O13P3

>  <MolWeight> (133)
551.144683

>  <Cat> (133)
S1985

>  <Name> (133)
ATP (Adenosine-Triphosphate)

>  <Synonyms> (133)
N/A 

>  <Target> (133)
Others

>  <Form> (133)
Disodium Salt

>  <CAS> (133)
987-65-5

>  <URL> (133)
http://www.selleckchem.com/products/atp-Adenosine-Triphosphate.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/01142111162D

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C23H14Na2O11

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>  <Name> (134)
Disodium Cromoglycate

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Gynazole

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Calcium Channel

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Disodium Salt

>  <CAS> (134)
15826-37-6

>  <URL> (134)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

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csChFnd80/01142111162D

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2510

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C24H25F2N3O4

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AZD8186

>  <Synonyms> (135)
N/A

>  <Target> (135)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (135)
Free Base

>  <CAS> (135)
1627494-13-6

>  <URL> (135)
http://www.selleckchem.com/products/azd8186.html

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/01142111162D

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>  <Mol_ID> (136)
2526

>  <Formula> (136)
C5H6Na2O5

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192.07768

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S7873

>  <Name> (136)
Disodium (R)-2-Hydroxyglutarate

>  <Synonyms> (136)
N/A

>  <Target> (136)
Others

>  <Form> (136)
disodium salt

>  <CAS> (136)
103404-90-6

>  <URL> (136)
http://www.selleckchem.com/products/disodium-r-2-hydroxyglutarate.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/01142111162D

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>  <Mol_ID> (137)
2528

>  <Formula> (137)
C24H28N8O2

>  <MolWeight> (137)
460.53152

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S7103

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GDC-0032

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RG7604

>  <Target> (137)
PI3K

>  <Form> (137)
Free Base

>  <CAS> (137)
1282512-48-4

>  <URL> (137)
http://www.selleckchem.com/products/gdc-0032.html

$$$$
AZD6738.cdx
csChFnd80/01142111162D

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1608125-21-8

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Gypenoside

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N/A

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

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1876467-74-1(free base)

>  <URL> (144)
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$$$$
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>  <Mol_ID> (146)
2614

>  <Formula> (146)
C15H11ClN2OS

>  <MolWeight> (146)
302.77864

>  <Cat> (146)
S7176

>  <Name> (146)
SKI II

>  <Synonyms> (146)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (146)
S1P Receptor

>  <Form> (146)
Free Base

>  <CAS> (146)
312636-16-1

>  <URL> (146)
http://www.selleckchem.com/products/ski-ii.html

$$$$
GSK2334470.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (147)
2621

>  <Formula> (147)
C25H34N8O

>  <MolWeight> (147)
462.59046

>  <Cat> (147)
S7087

>  <Name> (147)
GSK2334470

>  <Synonyms> (147)
N/A

>  <Target> (147)
PDK-1

>  <Form> (147)
Free Base

>  <CAS> (147)
1227911-45-6

>  <URL> (147)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (148)
2623

>  <Formula> (148)
C24H26N4O

>  <MolWeight> (148)
386.48944

>  <Cat> (148)
S7127

>  <Name> (148)
TIC10 analogue

>  <Synonyms> (148)
TRAIL-inducing Compound 10

>  <Target> (148)
Akt

>  <Form> (148)
Free Base

>  <CAS> (148)
41276-02-2

>  <URL> (148)
http://www.selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/01142111162D

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>  <Mol_ID> (149)
2625

>  <Formula> (149)
C16H10BrN3O2

>  <MolWeight> (149)
356.1735

>  <Cat> (149)
S7198

>  <Name> (149)
BIO

>  <Synonyms> (149)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (149)
GSK-3

>  <Form> (149)
Free Base

>  <CAS> (149)
667463-62-9

>  <URL> (149)
http://www.selleckchem.com/products/bio.html

$$$$
AZD2858.cdx
csChFnd80/01142111162D

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486424-20-8

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PI3K/Akt/mTORPI3K
PI3K

>  <Form> (151)
Free Base

>  <CAS> (151)
1159824-67-5

>  <URL> (151)
http://www.selleckchem.com/products/czc24832.html

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csChFnd80/01142111162D

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2648

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C23H22FN3O4S

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XL388

>  <Synonyms> (152)
N/A

>  <Target> (152)
mTOR

>  <Form> (152)
Free Base

>  <CAS> (152)
1251156-08-7

>  <URL> (152)
http://www.selleckchem.com/products/xl388.html

$$$$
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csChFnd80/01142111162D

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>  <Name> (153)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (153)
BML-275,Compound C

>  <Target> (153)
AMPK

>  <Form> (153)
Dihydrochloride

>  <CAS> (153)
1219168-18-9

>  <URL> (153)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
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mTOR

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>  <URL> (161)
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$$$$
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SF1670 (PTEN inhibitor)

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PTEN

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Free Base

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345630-40-2

>  <URL> (162)
http://www.selleckchem.com/products/sf1670.html

$$$$
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csChFnd80/01142111162D

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>  <Mol_ID> (163)
2873

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C22H20FN3O2

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IM-12

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N/A

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GSK-3

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Free Base

>  <CAS> (163)
1129669-05-1

>  <URL> (163)
http://www.selleckchem.com/products/im-12.html

$$$$
VS-5584 (SB2343).cdx
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2920

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C17H22N8O

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354.40958

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VS-5584 (SB2343)

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N/A

>  <Target> (164)
PI3K

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Free Base

>  <CAS> (164)
1246560-33-7

>  <URL> (164)
http://www.selleckchem.com/products/vs-5584-sb2343.html

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/01142111162D

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C20H28ClN7O3S

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N/A

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JAK

>  <Form> (165)
Hydrochloride

>  <CAS> (165)
1369761-01-2

>  <URL> (165)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
Piperlongumine.cdx
csChFnd80/01142111162D

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Piperlongumine

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ROS,CRM

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>  <CAS> (166)
20069-09-4

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

$$$$
AT13148.cdx
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1082949-68-5

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603288-22-8

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phosphatase

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1026680-07-8

>  <URL> (173)
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AMPK

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Free Base

>  <CAS> (179)
1613724-42-7

>  <URL> (179)
http://www.selleckchem.com/products/hth-01-015.html

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csChFnd80/01142111162D

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Dorsomorphin (Compound C)

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AMPK

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Free Base

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866405-64-3

>  <URL> (180)
http://www.selleckchem.com/products/dorsomorphin.html

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GSK621.cdx
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AMPK

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Free Base

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1346607-05-3

>  <URL> (181)
http://www.selleckchem.com/products/gsk621.html

$$$$
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934493-76-2

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CDK

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142273-20-9

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

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PIK-III.cdx
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Autophagy

>  <Form> (190)
Free Base

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1383716-40-2

>  <URL> (190)
http://www.selleckchem.com/products/pik-iii.html

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ETC-1002.cdx
csChFnd80/01142111162D

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ETC-1002

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Bempedoic acid|ESP-55016

>  <Target> (191)
AMPK

>  <Form> (191)
Free Base

>  <CAS> (191)
738606-46-7

>  <URL> (191)
http://www.selleckchem.com/products/etc-1002.html

$$$$
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csChFnd80/01142111162D

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>  <Target> (192)
ERK

>  <Form> (192)
Free Base

>  <CAS> (192)
839707-37-8

>  <URL> (192)
http://www.selleckchem.com/products/pluripotin-sc1.html

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476310-60-8

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Free Base

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522-17-8

>  <URL> (199)
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1429639-50-8

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CaMK

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Free Base

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52029-86-4

>  <URL> (203)
http://www.selleckchem.com/products/sto-609.html

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GSK2269557

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Nemiralisib

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PI3K

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Free Base

>  <CAS> (204)
1254036-71-9

>  <URL> (204)
http://www.selleckchem.com/products/gsk2269557.html

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Miransertib (ARQ 092)HCl

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>  <Target> (205)
Akt

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hydrochloride

>  <CAS> (205)
1313883-00-9

>  <URL> (205)
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3363

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C21H25N7O

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VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (206)
N/A

>  <Target> (206)
PI3K

>  <Form> (206)
Free Base

>  <CAS> (206)
1383716-46-8

>  <URL> (206)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/01142111162D

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3389

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C19H15N3O2

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CP21R7 (CP21)

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N/A

>  <Target> (207)
Wnt/beta-catenin

>  <Form> (207)
Free Base

>  <CAS> (207)
125314-13-8

>  <URL> (207)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
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csChFnd80/01142111162D

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3399

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C31H24F3N5O3

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S8194

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TGR-1202

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Rp-5264

>  <Target> (208)
PI3K

>  <Form> (208)
Free Base

>  <CAS> (208)
1532533-67-7

>  <URL> (208)
http://www.selleckchem.com/products/tgr-1202.html

$$$$
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csChFnd80/01142111162D

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3421

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C22H22ClN3O4S

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N/A

>  <Target> (209)
DNA-PK

>  <Form> (209)
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>  <CAS> (209)
1943733-16-1

>  <URL> (209)
http://www.selleckchem.com/products/yu238259.html

$$$$
LTURM34.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (210)
3430

>  <Formula> (210)
C24H18N2O3S

>  <MolWeight> (210)
414.47632

>  <Cat> (210)
S8427

>  <Name> (210)
LTURM34

>  <Synonyms> (210)
N/A

>  <Target> (210)
DNA-PK

>  <Form> (210)
free base

>  <CAS> (210)
1879887-96-3

>  <URL> (210)
http://www.selleckchem.com/products/lturm34.html

$$$$
AD80.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (211)
3434

>  <Formula> (211)
C22H19F4N7O

>  <MolWeight> (211)
473.4261728

>  <Cat> (211)
S8518

>  <Name> (211)
AD80

>  <Synonyms> (211)
N/A

>  <Target> (211)
Raf,Src,S6 Kinase,RET V804M,RET V804L,RET wt

>  <Form> (211)
free base

>  <CAS> (211)
1384071-99-1

>  <URL> (211)
http://www.selleckchem.com/products/ad80.html

$$$$
GDC-0326.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (212)
3438

>  <Formula> (212)
C19H22N6O3

>  <MolWeight> (212)
382.41638

>  <Cat> (212)
S8157

>  <Name> (212)
GDC-0326

>  <Synonyms> (212)
N/A

>  <Target> (212)
PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

>  <Form> (212)
free base

>  <CAS> (212)
1282514-88-8

>  <URL> (212)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

$$$$
3BDO.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (213)
3446

>  <Formula> (213)
C18H17NO5

>  <MolWeight> (213)
327.33128

>  <Cat> (213)
S8317

>  <Name> (213)
3BDO

>  <Synonyms> (213)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (213)
FKBP1A

>  <Form> (213)
free base

>  <CAS> (213)
890405-51-3

>  <URL> (213)
http://www.selleckchem.com/products/3bdo.html

$$$$
SF2523.cdx
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M  END
>  <Mol_ID> (214)
3451

>  <Formula> (214)
C19H17NO5S

>  <MolWeight> (214)
371.40698

>  <Cat> (214)
S8589

>  <Name> (214)
SF2523

>  <Synonyms> (214)
N/A

>  <Target> (214)
DNA-PK,PI3K¦Á,PI3K¦Ã ,BRD4,mTOR

>  <Form> (214)
free base

>  <CAS> (214)
1174428-47-7

>  <URL> (214)
http://www.selleckchem.com/products/sf2523.html

$$$$
IPI-549.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (215)
3452

>  <Formula> (215)
C30H24N8O2

>  <MolWeight> (215)
528.56396

>  <Cat> (215)
S8330

>  <Name> (215)
IPI-549

>  <Synonyms> (215)
N/A

>  <Target> (215)
PI3K¦Ã

>  <CAS> (215)
1693758-51-8

>  <URL> (215)
http://www.selleckchem.com/products/ipi-549.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/01142111162D

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>  <Mol_ID> (216)
3464

>  <Formula> (216)
C19H17N5O3

>  <MolWeight> (216)
363.36998

>  <Cat> (216)
S8581

>  <Name> (216)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Synonyms> (216)
N/A

>  <Target> (216)
PI3K¦Á 

>  <Form> (216)
Free base

>  <CAS> (216)
1268454-23-4

>  <URL> (216)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Autophinib.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (217)
3469

>  <Formula> (217)
C14H11ClN6O3

>  <MolWeight> (217)
346.72854

>  <Cat> (217)
S8596

>  <Name> (217)
Autophinib

>  <Synonyms> (217)
N/A

>  <Target> (217)
autophagy

>  <Form> (217)
free base

>  <CAS> (217)
1644443-47-9

>  <URL> (217)
http://www.selleckchem.com/products/autophinib.html

$$$$
PF-06409577.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (218)
3493

>  <Formula> (218)
C19H16ClNO3

>  <MolWeight> (218)
341.78824

>  <Cat> (218)
S8335

>  <Name> (218)
PF-06409577

>  <Synonyms> (218)
N/A

>  <Target> (218)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (218)
free base

>  <CAS> (218)
1467057-23-3

>  <URL> (218)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
S3614 Lupeol.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (219)
3522

>  <Formula> (219)
C30H50O

>  <MolWeight> (219)
426.7174

>  <Cat> (219)
S3614

>  <Name> (219)
Lupeol

>  <Synonyms> (219)
(3¦Â,13¦Î)-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol

>  <Target> (219)
Others

>  <Form> (219)
free base

>  <CAS> (219)
545-47-1

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

$$$$
S5144 Neferine.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (220)
3542

>  <Formula> (220)
C38H44N2O6

>  <MolWeight> (220)
624.76576

>  <Cat> (220)
S5144

>  <Name> (220)
Neferine

>  <Synonyms> (220)
(R)-1,2-Dimethoxyaporphine

>  <Target> (220)
Others

>  <Form> (220)
free base

>  <CAS> (220)
2292-16-2

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

$$$$
2-D08.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (221)
3607

>  <Formula> (221)
C15H10O5

>  <MolWeight> (221)
270.2369

>  <Cat> (221)
S8696

>  <Name> (221)
2-D08
2-D08

>  <Synonyms> (221)
2',3',4'-trihydroxy flavone

>  <Target> (221)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (221)
free base

>  <CAS> (221)
144707-18-6

>  <URL> (221)
http://selleckchem.com/products/2-d08.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (222)
3684

>  <Formula> (222)
C23H18FN5O2

>  <MolWeight> (222)
415.4197232

>  <Cat> (222)
S8672

>  <Name> (222)
Tenalisib (RP6530)

>  <Synonyms> (222)
N/A

>  <Target> (222)
PI3K

>  <Form> (222)
free base

>  <CAS> (222)
1639417-53-0

>  <URL> (222)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
Cu-CPT22.cdx
csChFnd80/01142111162D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (223)
3714

>  <Formula> (223)
C19H22O7

>  <MolWeight> (223)
362.37378

>  <Cat> (223)
S8677

>  <Name> (223)
Cu-CPT22

>  <Synonyms> (223)
N/A

>  <Target> (223)
TLR

>  <Form> (223)
free base

>  <CAS> (223)
1416324-85-0

>  <URL> (223)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/01142111162D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
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M  END
>  <Mol_ID> (224)
3741

>  <Formula> (224)
C10H16N5O8P

>  <MolWeight> (224)
365.236501

>  <Cat> (224)
S5284

>  <Name> (224)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (224)
5'-Adenylic acid, 5'-AMP

>  <Target> (224)
AMPK

>  <Form> (224)
hydrate 

>  <CAS> (224)
18422-05-4

>  <URL> (224)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5313 SC66.cdx
csChFnd80/01142111162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (225)
3762

>  <Formula> (225)
C18H16N2O

>  <MolWeight> (225)
276.33244

>  <Cat> (225)
S5313

>  <Name> (225)
SC66

>  <Synonyms> (225)
N/A

>  <Target> (225)
Akt

>  <Form> (225)
free base

>  <CAS> (225)
871361-88-5

>  <URL> (225)
http://selleckchem.com/products/sc66.html

$$$$
AZD1390.cdx
csChFnd80/01142111162D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (226)
3768

>  <Formula> (226)
C27H32FN5O2

>  <MolWeight> (226)
477.5736832

>  <Cat> (226)
S8680

>  <Name> (226)
AZD1390

>  <Synonyms> (226)
N/A

>  <Target> (226)
ATM/ATR

>  <Form> (226)
free base

>  <CAS> (226)
2089288-03-7

>  <URL> (226)
http://selleckchem.com/products/azd1390.html

$$$$
bpV (HOpic).cdx
csChFnd80/01142111162D

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   16.2973    0.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7903    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.8603    0.0561    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.6374    1.5568    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.5711    0.8351    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7222   22.7687    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   22.7687    0.0000 K   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  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
  9 10  2  0  0  0  0
  2 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (227)
3821

>  <Formula> (227)
C6H4K2NO8V

>  <MolWeight> (227)
347.23596

>  <Cat> (227)
S8651

>  <Name> (227)
bpV (HOpic)

>  <Synonyms> (227)
Bisperoxovanadium(HOpic)

>  <Target> (227)
PTEN

>  <Form> (227)
potassium 

>  <CAS> (227)
722494-26-0

>  <URL> (227)
http://selleckchem.com/products/bpv-hopic.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/01142111162D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    6.0622    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.6326    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
    4.8497    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    1.4077    0.0000 H   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
    9.0387    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    6.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    3.5000    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  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 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 10 19  1  6  0  0  0
 12 20  1  1  0  0  0
  9 21  1  1  0  0  0
 11 22  1  6  0  0  0
  5 23  1  1  0  0  0
 17 24  2  0  0  0  0
 24 25  1  4  0  0  0
 16 26  2  0  0  0  0
M  END
>  <Mol_ID> (228)
3829

>  <Formula> (228)
C21H28O2

>  <MolWeight> (228)
312.44582

>  <Cat> (228)
S3792

>  <Name> (228)
Guggulsterone E&Z

>  <Synonyms> (228)
N/A

>  <Target> (228)
FXR

>  <Form> (228)
free base

>  <CAS> (228)
95975-55-6

>  <URL> (228)
http://selleckchem.com/products/guggulsterone.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/01142111162D

 24 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    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
    8.4870    2.8000    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
    9.6995    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
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    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
   13.3368    2.8000    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
   14.5492    2.1000    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
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   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
    7.2746    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
    9.6995    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  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  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 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (229)
3886

>  <Formula> (229)
C22H42O2

>  <MolWeight> (229)
338.56768

>  <Cat> (229)
S5383

>  <Name> (229)
Erucic acid

>  <Synonyms> (229)
cis-13-docosenoic acid

>  <Target> (229)
Others

>  <Form> (229)
free base

>  <CAS> (229)
112-86-7

>  <URL> (229)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/01142111162D

 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
    4.9590    0.2576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677    2.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2097    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  5  9  2  0  0  0  0
  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> (230)
3911

>  <Formula> (230)
C8H6BrN

>  <MolWeight> (230)
196.04394

>  <Cat> (230)
S5439

>  <Name> (230)
5-Bromoindole

>  <Synonyms> (230)
N/A

>  <Target> (230)
GSK-3

>  <Form> (230)
free base

>  <CAS> (230)
10075-50-0

>  <URL> (230)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/01142111162D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.2942    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2942    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    4.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7237    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    0.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9320    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    4.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4104    2.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    4.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8414    4.1879    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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (231)
3921

>  <Formula> (231)
C20H20O4

>  <MolWeight> (231)
324.3704

>  <Cat> (231)
S5456

>  <Name> (231)
Isobavachalcone

>  <Synonyms> (231)
Corylifolinin

>  <Target> (231)
Anti-infection

>  <Form> (231)
free base

>  <CAS> (231)
20784-50-3

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

$$$$
S5554 Lanatoside C.cdx
csChFnd80/01142111162D

 72 80  0  0  0  0  0  0  0  0999 V2000
   27.7632   15.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.7632   16.8217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.5586   14.7207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.0955   14.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9166   14.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0955   17.2577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   17.5267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.9166   18.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3415   15.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   13.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9155   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5309   18.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3288   16.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5717   18.9228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   14.7207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.3415   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7109   19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8633   19.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   13.3115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.9075   15.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5696   20.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8763   20.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9075   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6904   14.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0035   21.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6904   13.3115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.4859   12.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2690   11.9148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.2690   10.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0519   12.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0519    9.8138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8474   11.9148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8474   10.5056    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0519    8.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6303   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6303    9.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4133    9.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (232)
3969

>  <Formula> (232)
C49H76O20

>  <MolWeight> (232)
985.11574

>  <Cat> (232)
S5554

>  <Name> (232)
Lanatoside C

>  <Synonyms> (232)
N/A

>  <Target> (232)
ATPase

>  <Form> (232)
free base

>  <CAS> (232)
17575-22-3

>  <URL> (232)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5265 TBB.cdx
csChFnd80/01142111162D

 13 14  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (233)
4029

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C6HBr4N3

>  <MolWeight> (233)
434.70824

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S5265

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TBB

>  <Synonyms> (233)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (233)
Casein Kinase

>  <CAS> (233)
17374-26-4

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

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (234)
4084

>  <Formula> (234)
C9H10O5

>  <MolWeight> (234)
198.1727

>  <Cat> (234)
S5550

>  <Name> (234)
Ethyl gallate

>  <Synonyms> (234)
N/A

>  <Target> (234)
NF-¦ÊB

>  <CAS> (234)
831-61-8

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

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (235)
4125

>  <Formula> (235)
C15H24N2O2

>  <MolWeight> (235)
264.36326

>  <Cat> (235)
S9384

>  <Name> (235)
Sophocarpine Monohydrate

>  <Form> (235)
free base

>  <CAS> (235)
 145572-44-7

$$$$
S9413 Yangonin.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (236)
4147

>  <Formula> (236)
C15H14O4

>  <MolWeight> (236)
258.26926

>  <Cat> (236)
S9413

>  <Name> (236)
Yangonin

>  <Form> (236)
free base

>  <CAS> (236)
500-62-9

$$$$
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csChFnd80/01142111162D

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2088113-98-6

>  <URL> (239)
http://www.selleckchem.com/products/az31.html

$$$$

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1362850-20-1

>  <URL> (240)
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$$$$

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 28 30  2  0  0  0  0
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M  END
>  <Mol_ID> (241)
4251

>  <Formula> (241)
C24H18ClN3O3

>  <MolWeight> (241)
431.87102

>  <Cat> (241)
S8654

>  <Name> (241)
ex229 (compound 991)

>  <Synonyms> (241)
N/A

>  <Target> (241)
AMPK

>  <Form> (241)
Free Base

>  <CAS> (241)
1219739-36-2

>  <URL> (241)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/01142111162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
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 13 14  1  0  0  0  0
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 15 11  1  0  0  0  0
 15 16  1  0  0  0  0
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 22 24  2  0  0  0  0
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M  END
>  <Mol_ID> (242)
4259

>  <Formula> (242)
C20H16N4O

>  <MolWeight> (242)
328.36724

>  <Cat> (242)
S8729

>  <Name> (242)
AZ32

>  <Synonyms> (242)
N/A

>  <Target> (242)
ATM/ATR

>  <Form> (242)
Free Base

>  <CAS> (242)
No CAS

>  <URL> (242)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/01142111162D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
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 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 18 19  1  0  0  0  0
 19  7  1  0  0  0  0
  8 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
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 24  8  1  0  0  0  0
 14 25  1  0  0  0  0
 12 29  1  0  0  0  0
 25 26  1  0  0  0  0
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 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (243)
4261

>  <Formula> (243)
C17H20F3N7O2

>  <MolWeight> (243)
411.3816096

>  <Cat> (243)
S8738

>  <Name> (243)
Bimiralisib (PQR309)

>  <Synonyms> (243)
N/A

>  <Target> (243)
PI3K

>  <Form> (243)
Free Base

>  <CAS> (243)
1225037-39-7

>  <URL> (243)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/01142111162D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (244)
4267

>  <Formula> (244)
C21H25F3N6O2

>  <MolWeight> (244)
450.4574096

>  <Cat> (244)
S8752

>  <Name> (244)
leniolisib(CDZ 173)

>  <Synonyms> (244)
N/A

>  <Target> (244)
PI3K

>  <Form> (244)
Free Base

>  <CAS> (244)
1354690-24-6

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

$$$$

csChFnd80/01142111162D

 30 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (245)
4269

>  <Formula> (245)
C23H24ClF2NO3

>  <MolWeight> (245)
435.8913664

>  <Cat> (245)
S8756

>  <Name> (245)
XRK3F2

>  <Synonyms> (245)
N/A

>  <Target> (245)
Others

>  <Form> (245)
Free Base

>  <CAS> (245)
No CAS

>  <URL> (245)
http://www.selleckchem.com/products/xrk3f2.html

$$$$

csChFnd80/01142111162D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (246)
4274

>  <Formula> (246)
C26H23FN8O

>  <MolWeight> (246)
482.5122232

>  <Cat> (246)
S8764

>  <Name> (246)
IITZ-01

>  <Synonyms> (246)
N/A

>  <Target> (246)
Autophagy

>  <Form> (246)
Free Base

>  <CAS> (246)
1807988-47-1

>  <URL> (246)
http://www.selleckchem.com/products/iitz-01.html

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (247)
4288

>  <Formula> (247)
C38H46O8

>  <MolWeight> (247)
630.76704

>  <Cat> (247)
S9031

>  <Name> (247)
Gambogenic acid

>  <Form> (247)
free base

>  <CAS> (247)
173932-75-7

$$$$
S9061 Hydroxy safflor yellow A.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (248)
4307

>  <Formula> (248)
C27H32O16

>  <MolWeight> (248)
612.53338

>  <Cat> (248)
S9061

>  <Name> (248)
Hydroxy safflor yellow A

>  <Form> (248)
free base

>  <CAS> (248)
78281-02-4

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/01142111162D

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>  <Name> (249)
Anhydroicaritin

>  <Form> (249)
free base

>  <CAS> (249)
118525-40-9

$$$$
S9092 Norisoboldine.cdx
csChFnd80/01142111162D

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>  <Mol_ID> (250)
4337

>  <Formula> (250)
C18H19NO4

>  <MolWeight> (250)
313.34776

>  <Cat> (250)
S9092

>  <Name> (250)
Norisoboldine

>  <Form> (250)
free base

>  <CAS> (250)
23599-69-1

$$$$
S9093 Nardosinone.cdx
csChFnd80/01142111162D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (251)
4338

>  <Formula> (251)
C15H22O3

>  <MolWeight> (251)
250.33338

>  <Cat> (251)
S9093

>  <Name> (251)
Nardosinone

>  <Form> (251)
free base

>  <CAS> (251)
23720-80-1

$$$$
S9111 Isorhamnetin.cdx
csChFnd80/01142111162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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4353

>  <Formula> (252)
C16H12O7

>  <MolWeight> (252)
316.26228

>  <Cat> (252)
S9111

>  <Name> (252)
Isorhamnetin

>  <Form> (252)
free base

>  <CAS> (252)
480-19-3

$$$$
S9114 Polyphyllin I.cdx
csChFnd80/01142111162D

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$$$$
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4401

>  <Formula> (256)
C20H24NO4+

>  <MolWeight> (256)
342.40886

>  <Cat> (256)
S9172

>  <Name> (256)
Phellodendrine

>  <Form> (256)
free base

>  <CAS> (256)
6873-13-8

$$$$
S9182 Crebanine.cdx
csChFnd80/01142111162D

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M  END
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4409

>  <Formula> (257)
C20H21NO4

>  <MolWeight> (257)
339.38504

>  <Cat> (257)
S9182

>  <Name> (257)
Crebanine

>  <Form> (257)
free base

>  <CAS> (257)
25127-29-1

$$$$
S9183 Ruscogenin.cdx
csChFnd80/01142111162D

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4410

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C27H42O4

>  <MolWeight> (258)
430.61998

>  <Cat> (258)
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>  <Name> (258)
Ruscogenin

>  <Form> (258)
free base

>  <CAS> (258)
472-11-7

$$$$
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csChFnd80/01142111162D

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4416

>  <Formula> (259)
C27H30O15

>  <MolWeight> (259)
594.5181

>  <Cat> (259)
S9190

>  <Name> (259)
Oroxin B

>  <Form> (259)
free base

>  <CAS> (259)
114482-86-9

$$$$

csChFnd80/01142111162D

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160807-49-8

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http://www.selleck.cn/products/indirubin-3-monoxime.html

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4443

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>  <Cat> (261)
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Vaccarin

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free base

>  <CAS> (261)
53452-16-7

$$$$
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csChFnd80/01142111162D

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31008-19-2

$$$$
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csChFnd80/01142111162D

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>  <CAS> (263)
5041-81-6

$$$$
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csChFnd80/01142111162D

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548-37-8

$$$$
S9314 Atractylenolide II.cdx
csChFnd80/01142111162D

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free base

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$$$$
S9315 Praeruptorin A.cdx
csChFnd80/01142111162D

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C21H22O7

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386.39518

>  <Cat> (266)
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>  <Name> (266)
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>  <Form> (266)
free base

>  <CAS> (266)
73069-25-7

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/01142111162D

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M  END
>  <Mol_ID> (267)
4665

>  <Formula> (267)
C43H44ClFN4O11S3

>  <MolWeight> (267)
943.4760632

>  <Cat> (267)
S5241

>  <Name> (267)
Lapatinib ditosylate monohydrate

>  <Synonyms> (267)
Tykerb Ditosylate

>  <Target> (267)
Others

>  <Form> (267)
ditosylate monohydrate

>  <CAS> (267)
388082-78-8

>  <URL> (267)
http://selleckchem.com/products/.html

$$$$

csChFnd80/01142111162D

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M  END
>  <Mol_ID> (268)
4843

>  <Formula> (268)
C21H16FN7O

>  <MolWeight> (268)
401.3964432

>  <Cat> (268)
S5818

>  <Name> (268)
acalisib (GS-9820)

>  <Synonyms> (268)
CAL-120

>  <Target> (268)
PI3K

>  <Form> (268)
Free Base

>  <CAS> (268)
870281-34-8

>  <URL> (268)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/01142111162D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (269)
4866

>  <Formula> (269)
C27H19ClN2O3

>  <MolWeight> (269)
454.90436

>  <Cat> (269)
S8803

>  <Name> (269)
MK-3903

>  <Synonyms> (269)
N/A

>  <Target> (269)
AMPK

>  <Form> (269)
Free Base

>  <CAS> (269)
1219737-12-8

>  <URL> (269)
http://www.selleckchem.com/products/mk-3903.html

$$$$

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>  <Mol_ID> (270)
4880

>  <Formula> (270)
C28H32O16

>  <MolWeight> (270)
624.54408

>  <Cat> (270)
S9455

>  <Name> (270)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (270)
N/A

>  <Target> (270)
Others

>  <Form> (270)
Free Base

>  <CAS> (270)
55033-90-4

>  <URL> (270)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/01142111162D

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   10.7196    3.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0345    5.6104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  0  0  0  0
  1 21  1  6  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  2  1  0  0  0  0
  9  2  1  0  0  0  0
  2 22  1  1  0  0  0
  6  3  1  0  0  0  0
 12  3  2  0  0  0  0
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 20  4  1  0  0  0  0
  4 23  1  1  0  0  0
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 13  5  1  0  0  0  0
  5 33  1  6  0  0  0
 10  6  1  0  0  0  0
  8  6  1  0  0  0  0
  6 32  1  1  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
  7 31  1  6  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
  8 24  1  1  0  0  0
 14  9  1  0  0  0  0
 18 10  1  0  0  0  0
 10 26  1  1  0  0  0
 10 35  1  6  0  0  0
 16 11  1  0  0  0  0
 13 12  1  0  0  0  0
 25 15  1  0  0  0  0
 15 28  1  6  0  0  0
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 18 30  1  6  0  0  0
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 27 20  1  0  0  0  0
 27 25  1  0  0  0  0
 25 34  1  1  0  0  0
 36 28  1  0  0  0  0
 24 37  2  0  0  0  0
 24 38  1  0  0  0  0
M  END
>  <Mol_ID> (271)
4916

>  <Formula> (271)
C30H48O5

>  <MolWeight> (271)
488.69912

>  <Cat> (271)
S9514

>  <Name> (271)
Rotundic acid

>  <Synonyms> (271)
Rutundic acid

>  <Target> (271)
Others

>  <Form> (271)
Free Base

>  <CAS> (271)
20137-37-5

>  <URL> (271)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/01142111162D

 12 12  0  0  0  0  0  0  0  0999 V2000
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    8.4870    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
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
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  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (272)
4979

>  <Formula> (272)
C10H10O2

>  <MolWeight> (272)
162.1852

>  <Cat> (272)
S6221

>  <Name> (272)
Methyl cinnamate

>  <Synonyms> (272)
N/A

>  <Target> (272)
Others

>  <Form> (272)
free base

>  <CAS> (272)
103-26-4

>  <URL> (272)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/01142111162D

 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
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    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
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 12  4  1  0  0  0  0
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 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
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 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 23 10  2  0  0  0  0
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 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
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 26 16  1  0  0  0  0
 17 18  1  0  0  0  0
 29 19  1  0  0  0  0
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 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
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 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> (273)
5314

>  <Formula> (273)
C23H26N6O2

>  <MolWeight> (273)
418.49154

>  <Cat> (273)
S6414

>  <Name> (273)
Apilimod

>  <Synonyms> (273)
STA-5326

>  <Target> (273)
PI3K

>  <Form> (273)
Free Base

>  <CAS> (273)
541550-19-0

>  <URL> (273)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/01142111162D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6081    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
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 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
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 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
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 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> (274)
5380

>  <Formula> (274)
C23H20FN7O

>  <MolWeight> (274)
429.4496032

>  <Cat> (274)
S8693

>  <Name> (274)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (274)
N/A

>  <Target> (274)
PI3K

>  <Form> (274)
Free Base

>  <CAS> (274)
2088525-31-7

>  <URL> (274)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/01142111162D

 32 36  0  0  0  0  0  0  0  0999 V2000
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   12.7818    3.4942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 13  8  2  0  0  0  0
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 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
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 29 27  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
M  END
>  <Mol_ID> (275)
5389

>  <Formula> (275)
C22H16F4N4OS

>  <MolWeight> (275)
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>  <Cat> (275)
S8793

>  <Name> (275)
ULK-101

>  <Synonyms> (275)
N/A

>  <Target> (275)
Autophagy

>  <Form> (275)
Free Base

>  <CAS> (275)
no cas

>  <URL> (275)
http://www.selleck.cn/products/ulk-101.html

$$$$

csChFnd80/01142111162D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (276)
6664

>  <Formula> (276)
C22H19ClN2O6S

>  <MolWeight> (276)
474.91406

>  <Cat> (276)
S6503

>  <Name> (276)
LX2343

>  <Synonyms> (276)
N/A

>  <Target> (276)
BACE

>  <Form> (276)
free base

>  <CAS> (276)
333745-53-2

>  <URL> (276)
http://www.selleck.cn/products/lx2343.html

$$$$

csChFnd80/01142111162D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 16  8  1  0  0  0  0
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M  END
>  <Mol_ID> (277)
6666

>  <Formula> (277)
C16H15N3O2

>  <MolWeight> (277)
281.3092

>  <Cat> (277)
S6506

>  <Name> (277)
Compound 401

>  <Synonyms> (277)
N/A

>  <Target> (277)
DNA-PK

>  <Form> (277)
free base

>  <CAS> (277)
168425-64-7

>  <URL> (277)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/01142111162D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (278)
6674

>  <Formula> (278)
C21H28N8O3S2

>  <MolWeight> (278)
504.62882

>  <Cat> (278)
S6516

>  <Name> (278)
GNE-477

>  <Synonyms> (278)
N/A

>  <Target> (278)
PI3K

>  <Form> (278)
free base

>  <CAS> (278)
1032754-81-6

>  <URL> (278)
http://www.selleck.cn/products/gne-477.html

$$$$

csChFnd80/01142111162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (279)
6688

>  <Formula> (279)
C16H14N2O2S2

>  <MolWeight> (279)
330.42456

>  <Cat> (279)
S6536

>  <Name> (279)
TTP 22

>  <Synonyms> (279)
N/A

>  <Target> (279)
Casein Kinase

>  <Form> (279)
free base

>  <CAS> (279)
329907-28-0

>  <URL> (279)
http://www.selleck.cn/products/ttp-22.html

$$$$

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>  <Formula> (284)
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>  <MolWeight> (284)
283.32508

>  <Cat> (284)
S6751

>  <Name> (284)
Brevianamide F

>  <Synonyms> (284)
N/A

>  <Target> (284)
Others

>  <Form> (284)
Free Base

>  <CAS> (284)
38136-70-8

>  <URL> (284)
http://www.selleck.cn/products/brevianamide-f.html

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6844

>  <Formula> (285)
C25H23F3N2O5S

>  <MolWeight> (285)
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>  <Cat> (285)
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>  <Name> (285)
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>  <Synonyms> (285)
N/A

>  <Target> (285)
phosphatase

>  <Form> (285)
Free Base

>  <CAS> (285)
1809427-19-7

>  <URL> (285)
http://www.selleck.cn/products/dt-061-smap.html

$$$$

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>  <Formula> (286)
C36H32N6O3

>  <MolWeight> (286)
596.67768

>  <Cat> (286)
S8839

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Borussertib

>  <Synonyms> (286)
N/A

>  <Target> (286)
Akt

>  <Form> (286)
Free Base

>  <CAS> (286)
1800070-77-2

>  <URL> (286)
http://www.selleck.cn/products/borussertib.html

$$$$

csChFnd80/01142111162D

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6850

>  <Formula> (287)
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>  <MolWeight> (287)
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>  <Cat> (287)
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>  <Synonyms> (287)
N/A

>  <Target> (287)
DNA-PK

>  <Form> (287)
Free Base

>  <CAS> (287)
2230820-11-6

>  <URL> (287)
http://www.selleck.cn/products/azd7648.html

$$$$

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N/A

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Akt

>  <Form> (288)
Free Base

>  <CAS> (288)
1402608-02-9

>  <URL> (288)
http://www.selleck.cn/products/bay1125976.html

$$$$

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6923

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C33H40O18

>  <MolWeight> (289)
724.6599

>  <Cat> (289)
S9096

>  <Name> (289)
ligustroflavone

>  <Synonyms> (289)
Nuezhenoside

>  <Target> (289)
AMPK

>  <Form> (289)
Free Base

>  <CAS> (289)
260413-62-5

>  <URL> (289)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/01142111162D

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>  <Mol_ID> (290)
6924

>  <Formula> (290)
C42H66O14

>  <MolWeight> (290)
794.96504

>  <Cat> (290)
S9116

>  <Name> (290)
Chikusetsusaponin Iva

>  <Synonyms> (290)
Calenduloside F

>  <Target> (290)
Immunology & Inflammation related

>  <Form> (290)
Free Base

>  <CAS> (290)
51415-02-2

>  <URL> (290)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

csChFnd80/01142111162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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Indoprofen

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Free Base

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>  <URL> (291)
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N/A

>  <Target> (292)
KLF

>  <Form> (292)
Free Base

>  <CAS> (292)
no cas

>  <URL> (292)
http://www.selleckchem.com/products/sr18662.html

$$$$

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6975

>  <Formula> (293)
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>  <MolWeight> (293)
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>  <Cat> (293)
S8945

>  <Name> (293)
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>  <Synonyms> (293)
N/A

>  <Target> (293)
Others

>  <Form> (293)
Free Base

>  <CAS> (293)
1891087-61-8

>  <URL> (293)
http://www.selleckchem.com/products/bay-1816032.html

$$$$

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N/A

>  <Target> (294)
AMPK

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Free Base

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1640294-30-9

>  <URL> (294)
http://www.selleckchem.com/products/asp4132.html

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>  <Formula> (295)
C26H23N5O2

>  <MolWeight> (295)
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>  <Cat> (295)
S8961

>  <Name> (295)
Alobresib (GS-5829)

>  <Synonyms> (295)
N/A

>  <Target> (295)
Epigenetic Reader Do

>  <Form> (295)
Free Base

>  <CAS> (295)
1637771-14-2

>  <URL> (295)
http://www.selleckchem.com/products/alobresib.html

$$$$

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M  END
>  <Mol_ID> (296)
7033

>  <Formula> (296)
C43H46F3N7O7S

>  <MolWeight> (296)
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>  <Cat> (296)
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>  <Name> (296)
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>  <Synonyms> (296)
N/A

>  <Target> (296)
PROTAC

>  <Form> (296)
Free Base

>  <CAS> (296)
no cas

>  <URL> (296)
http://www.selleckchem.com/products/gmb-475.html

$$$$

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M  END
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>  <Formula> (297)
C21H25F2N7O2

>  <MolWeight> (297)
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>  <Cat> (297)
S8784

>  <Name> (297)
PQR620

>  <Synonyms> (297)
N/A

>  <Target> (297)
mTOR

>  <Form> (297)
Free Base

>  <CAS> (297)
1927857-56-4

>  <URL> (297)
http://www.selleckchem.com/products/pqr620.html

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csChFnd80/01142111162D

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M  END
>  <Mol_ID> (298)
7182

>  <Formula> (298)
C25H34N6O8S2

>  <MolWeight> (298)
610.70286

>  <Cat> (298)
S0785

>  <Name> (298)
Apilimod mesylate

>  <Target> (298)
Interleukins

>  <Form> (298)
mesylate

>  <CAS> (298)
870087-36-8

>  <URL> (298)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/01142111162D

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M  END
>  <Mol_ID> (299)
7183

>  <Formula> (299)
C11H15ClN4O4

>  <MolWeight> (299)
302.7142

>  <Cat> (299)
S0787

>  <Name> (299)
3-Deazaadenosine hydrochloride

>  <Target> (299)
TNF-alpha

>  <Form> (299)
hydrochloride

>  <CAS> (299)
86583-19-9

>  <URL> (299)
http://www.selleckchem.com/products/3-deazaadenosine-hydrochloride.html

$$$$

csChFnd80/01142111162D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (300)
7209

>  <Formula> (300)
C7H7NO2

>  <MolWeight> (300)
137.13598

>  <Cat> (300)
S3220

>  <Name> (300)
Trigonelline

>  <Target> (300)
Phospholipase (e.g. 

>  <Form> (300)
free base

>  <CAS> (300)
535-83-1

>  <URL> (300)
http://www.selleckchem.com/products/trigonelline.html

$$$$

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 32 37  0  0  0  0  0  0  0  0999 V2000
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7212

>  <Formula> (301)
C26H34O6

>  <MolWeight> (301)
442.54456

>  <Cat> (301)
S3224

>  <Name> (301)
Cinobufagin

>  <Target> (301)
ATM/ATR

>  <Form> (301)
free base

>  <CAS> (301)
470-37-1

>  <URL> (301)
http://www.selleckchem.com/products/cinobufagin.html

$$$$

csChFnd80/01142111162D

 28 33  0  0  0  0  0  0  0  0999 V2000
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   10.3126    2.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6826    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  1  1  1  0  0  0
  8  1  1  1  0  0  0
 24  2  1  1  0  0  0
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 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (302)
7220

>  <Formula> (302)
C24H32O4

>  <MolWeight> (302)
384.50848

>  <Cat> (302)
S3238

>  <Name> (302)
Resibufogenin

>  <Target> (302)
RIP kinase

>  <Form> (302)
free base

>  <CAS> (302)
465-39-4

>  <URL> (302)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/01142111162D

 37 39  0  0  0  0  0  0  0  0999 V2000
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  3 28  1  0  0  0  0
  3 34  1  0  0  0  0
  4 29  1  0  0  0  0
  4 35  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 16  1  6  0  0  0
 11 12  1  1  0  0  0
 11 17  1  0  0  0  0
 18 14  1  6  0  0  0
 15 19  1  0  0  0  0
 16 22  1  0  0  0  0
 17 20  1  0  0  0  0
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 18 21  1  0  0  0  0
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 20 24  2  0  0  0  0
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 21 30  2  0  0  0  0
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M  END
>  <Mol_ID> (303)
7221

>  <Formula> (303)
C29H42Cl2N2O4

>  <MolWeight> (303)
553.56078

>  <Cat> (303)
S3239

>  <Name> (303)
Emetine Dihydrochloride

>  <Target> (303)
HIF

>  <Form> (303)
Dihydrochloride

>  <CAS> (303)
316-42-7

>  <URL> (303)
http://www.selleckchem.com/products/emetine-dihydrochloride.html

$$$$

csChFnd80/01142111162D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
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  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  2  0  0  0  0
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 20 10  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (304)
7223

>  <Formula> (304)
C17H18O4

>  <MolWeight> (304)
286.32242

>  <Cat> (304)
S3241

>  <Name> (304)
Loureirin A

>  <Target> (304)
Akt

>  <Form> (304)
free base

>  <CAS> (304)
119425-89-7

>  <URL> (304)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/01142111162D

 42 46  0  0  0  0  0  0  0  0999 V2000
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 16  1  1  6  0  0  0
 19  1  1  1  0  0  0
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M  END
>  <Mol_ID> (305)
7254

>  <Formula> (305)
C27H30O15

>  <MolWeight> (305)
594.5181

>  <Cat> (305)
S3278

>  <Name> (305)
Kaempferol-3-O-neohesperidoside

>  <Target> (305)
Carbohydrate Metabol

>  <Form> (305)
free base

>  <CAS> (305)
32602-81-6

>  <URL> (305)
http://www.selleckchem.com/products/kaempferol-3-o-neohesperidoside.html

$$$$

csChFnd80/01142111162D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
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 10 11  2  0  0  0  0
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 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (306)
7264

>  <Formula> (306)
C19H12O7

>  <MolWeight> (306)
352.29438

>  <Cat> (306)
S3289

>  <Name> (306)
Daphnoretin

>  <Target> (306)
PKC

>  <Form> (306)
free base

>  <CAS> (306)
2034-69-7

>  <URL> (306)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/01142111162D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  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
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (307)
7268

>  <Formula> (307)
C16H17NO3

>  <MolWeight> (307)
271.31108

>  <Cat> (307)
S3294

>  <Name> (307)
Demethyl-Coclaurine

>  <Target> (307)
Adrenergic Receptor

>  <Form> (307)
free base

>  <CAS> (307)
5843-65-2

>  <URL> (307)
http://www.selleckchem.com/products/demethyl-coclaurine.html

$$$$

csChFnd80/01142111162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  8  1  0  0  0  0
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 17 12  2  0  0  0  0
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 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (308)
7270

>  <Formula> (308)
C16H12O6

>  <MolWeight> (308)
300.26288

>  <Cat> (308)
S3296

>  <Name> (308)
Hispidulin

>  <Target> (308)
Pim

>  <Form> (308)
free base

>  <CAS> (308)
1447-88-7

>  <URL> (308)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/01142111162D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  1  0  0  0  0
  7 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  8  1  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
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 19 20  1  0  0  0  0
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  4 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (309)
7273

>  <Formula> (309)
C19H18NO4+

>  <MolWeight> (309)
324.35052

>  <Cat> (309)
S3299

>  <Name> (309)
Demethyleneberberine

>  <Target> (309)
Peroxidases

>  <Form> (309)
free base

>  <CAS> (309)
25459-91-0

>  <URL> (309)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/01142111162D

 34 36  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 27 28  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 31  1  0  0  0  0
 24 27  1  0  0  0  0
 13 21  1  0  0  0  0
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  2  3  1  0  0  0  0
  1 34  1  0  0  0  0
M  END
>  <Mol_ID> (310)
7290

>  <Formula> (310)
C27H33ClN2O4

>  <MolWeight> (310)
485.01492

>  <Cat> (310)
S6760

>  <Name> (310)
LM22B-10

>  <Target> (310)
Trk receptor

>  <Form> (310)
free base

>  <CAS> (310)
342777-54-2

>  <URL> (310)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/01142111162D

 33 38  0  0  0  0  0  0  0  0999 V2000
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C27H24N6

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Akt

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free base

>  <CAS> (311)
1313881-70-7

>  <URL> (311)
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csChFnd80/01142111162D

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7298

>  <Formula> (312)
C15H18Cl2N2O2S

>  <MolWeight> (312)
361.28662

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S6847

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ML-9 HCl

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Akt

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hydrochloride

>  <CAS> (312)
105637-50-1

>  <URL> (312)
http://www.selleckchem.com/products/ml-9-hcl.html

$$$$

csChFnd80/01142111162D

 30 35  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (313)
C22H13FN2O5

>  <MolWeight> (313)
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>  <Cat> (313)
S9602

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>  <Target> (313)
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>  <CAS> (313)
1034895-42-5

>  <URL> (313)
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csChFnd80/01142111162D

 22 23  0  0  0  0  0  0  0  0999 V2000
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7359

>  <Formula> (314)
C13H16F3N5O

>  <MolWeight> (314)
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AMPK

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>  <CAS> (314)
1422365-93-2

>  <URL> (314)
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>  <MolWeight> (315)
296.44488

>  <Cat> (315)
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>  <Target> (315)
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>  <CAS> (315)
57818-44-7

>  <URL> (315)
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 39 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (316)
7365

>  <Formula> (316)
C25H29F2N9O3

>  <MolWeight> (316)
541.5530664

>  <Cat> (316)
S9639

>  <Name> (316)
VX-803 (M4344)

>  <Target> (316)
ATM/ATR

>  <Form> (316)
free base

>  <CAS> (316)
1613191-99-3

>  <URL> (316)
http://www.selleckchem.com/products/vx803-m4344.html

$$$$

csChFnd80/01142111162D

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M  END
>  <Mol_ID> (317)
7377

>  <Formula> (317)
C28H26N4O3

>  <MolWeight> (317)
466.53104

>  <Cat> (317)
S1421

>  <Name> (317)
Staurosporine

>  <Synonyms> (317)
CGP 41251

>  <Target> (317)
PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

>  <Form> (317)
Free Base

>  <CAS> (317)
62996-74-1

>  <URL> (317)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/01142111162D

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M  END
>  <Mol_ID> (318)
7403

>  <Formula> (318)
C21H18N2O

>  <MolWeight> (318)
314.38042

>  <Cat> (318)
S0765

>  <Name> (318)
MAZ51

>  <Synonyms> (318)
N/A

>  <Target> (318)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (318)
Free Base

>  <CAS> (318)
163655-37-6

>  <URL> (318)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/01142111162D

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M  END
>  <Mol_ID> (319)
7418

>  <Formula> (319)
C51H82O21

>  <MolWeight> (319)
1031.18418

>  <Cat> (319)
S9156

>  <Name> (319)
Chonglou Saponin VII

>  <Synonyms> (319)
Dioscinin, Polyphyllin-VII, Paris saponin-VII

>  <Target> (319)
others

>  <Form> (319)
Free Base

>  <CAS> (319)
68124-04-9

>  <URL> (319)
https://www.selleckchem.com/products/chonglou-saponin-vii.html

$$$$

csChFnd80/01142111162D

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M  END
>  <Mol_ID> (320)
7427

>  <Formula> (320)
C42H70O12

>  <MolWeight> (320)
766.998

>  <Cat> (320)
S9210

>  <Name> (320)
Ginsenoside Rk1

>  <Synonyms> (320)
N/A

>  <Target> (320)
others

>  <Form> (320)
Free Base

>  <CAS> (320)
494753-69-4

>  <URL> (320)
https://www.selleckchem.com/products/ginsenoside-rk1.html

$$$$

csChFnd80/01142111162D

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>  <Mol_ID> (321)
7444

>  <Formula> (321)
C57H92O28

>  <MolWeight> (321)
1225.32358

>  <Cat> (321)
S9304

>  <Name> (321)
Platycodin D

>  <Synonyms> (321)
N/A

>  <Target> (321)
Immunology & Inflammation related

>  <Form> (321)
Free Base

>  <CAS> (321)
58479-68-8

>  <URL> (321)
https://www.selleckchem.com/products/platycodin-d.html

$$$$

csChFnd80/01142111162D

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>  <Mol_ID> (322)
7476

>  <Formula> (322)
C17H13NO2

>  <MolWeight> (322)
263.29062

>  <Cat> (322)
S0148

>  <Name> (322)
HAMNO

>  <Synonyms> (322)
NSC-111847

>  <Target> (322)
ATM/ATR

>  <Form> (322)
Free Base

>  <CAS> (322)
138736-73-9

>  <URL> (322)
https://www.selleckchem.com/products/nsc111847.html

$$$$

csChFnd80/01142111162D

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>  <Mol_ID> (323)
7503

>  <Formula> (323)
C16H11N3O3

>  <MolWeight> (323)
293.27684

>  <Cat> (323)
S0354

>  <Name> (323)
Alsterpaullone

>  <Synonyms> (323)
Alp, 9-Nitropaullone, NSC 705701

>  <Target> (323)
CDK. GSK-3. apoptosis related. Caspase

>  <Form> (323)
Free Base

>  <CAS> (323)
237430-03-4

>  <URL> (323)
https://www.selleckchem.com/products/alsterpaullone.html

$$$$

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M  END
>  <Mol_ID> (324)
7508

>  <Formula> (324)
C17H18N4O3S

>  <MolWeight> (324)
358.41482

>  <Cat> (324)
S0385

>  <Name> (324)
S6K-18

>  <Synonyms> (324)
N/A

>  <Target> (324)
S6 Kinase

>  <Form> (324)
Free Base

>  <CAS> (324)
1265789-88-5

>  <URL> (324)
https://www.selleckchem.com/products/s6k-18.html

$$$$

csChFnd80/01142111162D

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M  END
>  <Mol_ID> (325)
7509

>  <Formula> (325)
C16H10F2N6O

>  <MolWeight> (325)
340.2870064

>  <Cat> (325)
S0411

>  <Name> (325)
BAM 15

>  <Synonyms> (325)
N/A

>  <Target> (325)
AMPK. apoptosis related

>  <Form> (325)
Free Base

>  <CAS> (325)
210302-17-3

>  <URL> (325)
https://www.selleckchem.com/products/bam-15.html

$$$$

csChFnd80/01142111162D

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M  END
>  <Mol_ID> (326)
7531

>  <Formula> (326)
C16H11Cl2N3O2S

>  <MolWeight> (326)
380.24844

>  <Cat> (326)
S0795

>  <Name> (326)
O-304

>  <Synonyms> (326)
O-304X

>  <Target> (326)
AMPK

>  <Form> (326)
Free Base

>  <CAS> (326)
1261289-04-6

>  <URL> (326)
https://www.selleckchem.com/products/o-304.html

$$$$

csChFnd80/01142111162D

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>  <Mol_ID> (327)
7547

>  <Formula> (327)
C10H16N2O2S4

>  <MolWeight> (327)
324.50624

>  <Cat> (327)
S0983

>  <Name> (327)
JX06

>  <Synonyms> (327)
N/A

>  <Target> (327)
PDK

>  <Form> (327)
Free Base

>  <CAS> (327)
729-46-4

>  <URL> (327)
https://www.selleckchem.com/products/jx06.html

$$$$

csChFnd80/01142111162D

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>  <Mol_ID> (328)
7554

>  <Formula> (328)
C29H30O13

>  <MolWeight> (328)
586.5407

>  <Cat> (328)
S1273

>  <Name> (328)
Amarogentin

>  <Synonyms> (328)
AG

>  <Target> (328)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (328)
Free Base

>  <CAS> (328)
21018-84-8

>  <URL> (328)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/01142111162D

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  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (329)
7556

>  <Formula> (329)
C13H8O3

>  <MolWeight> (329)
212.20082

>  <Cat> (329)
S1321

>  <Name> (329)
Urolithin B

>  <Synonyms> (329)
N/A

>  <Target> (329)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (329)
Free Base

>  <CAS> (329)
1139-83-9

>  <URL> (329)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/01142111162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.1573    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    4.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (330)
7557

>  <Formula> (330)
C16H12O3

>  <MolWeight> (330)
252.26468

>  <Cat> (330)
S1323

>  <Name> (330)
7-Methoxyisoflavone

>  <Synonyms> (330)
MIF

>  <Target> (330)
AMPK

>  <Form> (330)
Free Base

>  <CAS> (330)
1621-56-3

>  <URL> (330)
https://www.selleckchem.com/products/7-methoxyisoflavone.html

$$$$

csChFnd80/01142111162D

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.2267    2.2209    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   20.6005    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   14.5175    3.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942    3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    1.7946    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8425    5.2902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   24.1863    3.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    3.1918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3632    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0513    5.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    1.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    5.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    5.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7549    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    3.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7900    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    1.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6297    3.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9351    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    5.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    3.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    3.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    3.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    1.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    5.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9385    3.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3123    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1020    3.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3997    3.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1863    5.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    1.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3 27  1  0  0  0  0
  3 33  1  0  0  0  0
  4 28  1  0  0  0  0
  4 34  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  2  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  2  0  0  0  0
  6 18  1  0  0  0  0
  7 13  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 14  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 23  2  0  0  0  0
 11 25  1  0  0  0  0
 12 24  2  0  0  0  0
 12 26  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 20  2  0  0  0  0
 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  2  0  0  0  0
 26 32  2  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  2  0  0  0  0
 28 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (331)
7563

>  <Formula> (331)
C30H36Br2N4O2

>  <MolWeight> (331)
644.44044

>  <Cat> (331)
S2942

>  <Name> (331)
EB-3D

>  <Synonyms> (331)
N/A

>  <Target> (331)
Choline kinase. AMPK. Apoptosis related

>  <Form> (331)
Free Base

>  <CAS> (331)
1839150-63-8

>  <URL> (331)
https://www.selleckchem.com/products/eb-3d.html

$$$$

csChFnd80/01142111162D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410    9.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410   10.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5534    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (332)
7660

>  <Formula> (332)
C16H30O2

>  <MolWeight> (332)
254.4082

>  <Cat> (332)
S3341

>  <Name> (332)
Palmitoleic acid

>  <Synonyms> (332)
POA, Palmitoleate

>  <Target> (332)
AMPK

>  <Form> (332)
Free Base

>  <CAS> (332)
373-49-9

>  <URL> (332)
https://www.selleckchem.com/products/palmitoleic-acid.html

$$$$

csChFnd80/01142111162D

 11 11  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 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   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
  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
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (333)
7673

>  <Formula> (333)
C7H7NO3

>  <MolWeight> (333)
153.13538

>  <Cat> (333)
S3355

>  <Name> (333)
3-Hydroxyanthranilic acid

>  <Synonyms> (333)
3-HAA, 3-HANA

>  <Target> (333)
PI3K, Akt, mTOR, NF-¦ÊB

>  <Form> (333)
Free Base

>  <CAS> (333)
548-93-6

>  <URL> (333)
https://www.selleckchem.com/products/3-hydroxyanthranilic-acid.html

$$$$

csChFnd80/01142111162D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    4.6326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.1000    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
   11.0166    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8041    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0166    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2290    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
 10 11  1  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
  5 14  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  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
 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
>  <Mol_ID> (334)
7691

>  <Formula> (334)
C17H20N6O2S

>  <MolWeight> (334)
372.4447

>  <Cat> (334)
S6517

>  <Name> (334)
GNE-493

>  <Synonyms> (334)
N/A

>  <Target> (334)
PI3K. mTOR.

>  <Form> (334)
Free Base

>  <CAS> (334)
1033735-94-2

>  <URL> (334)
https://www.selleckchem.com/products/gne-493.html

$$$$

csChFnd80/01142111162D

 35 39  0  0  0  0  0  0  0  0999 V2000
    4.8413   10.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.3878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   10.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    4.1951    0.0000 I   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
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 15 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 15  1  0  0  0  0
 11 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 31 35  1  0  0  0  0
M  END
>  <Mol_ID> (335)
7698

>  <Formula> (335)
C26H24IN7O

>  <MolWeight> (335)
577.41953

>  <Cat> (335)
S6912

>  <Name> (335)
Vacuolin-1

>  <Synonyms> (335)
N/A

>  <Target> (335)
PIKfyve. Autophagy

>  <Form> (335)
Free Base

>  <CAS> (335)
351986-85-1

>  <URL> (335)
https://www.selleckchem.com/products/vacuolin-1.html

$$$$

csChFnd80/01142111162D

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    2.4249    2.1000    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
    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
    4.8497    2.1000    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
    6.0622    0.0000    0.0000 S   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
    6.0622    2.8000    0.0000 N   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
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2746    4.9000    0.0000 O   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
    3.6373    7.0000    0.0000 C   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
    2.4249    4.9000    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    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    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 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 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
 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 16  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
>  <Mol_ID> (336)
7737

>  <Formula> (336)
C20H14ClNO2S

>  <MolWeight> (336)
367.84866

>  <Cat> (336)
S9695

>  <Name> (336)
iHAP1

>  <Synonyms> (336)
N/A

>  <Target> (336)
PP2A. phosphatase

>  <Form> (336)
Free Base

>  <CAS> (336)
no

>  <URL> (336)
https://www.selleckchem.com/products/ihap1.html

$$$$
