Bosutinib (SKI-606).cdx
csChFnd80/04072409352D

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>  <Mol_ID> (1)
9

>  <Formula> (1)
C26H29Cl2N5O3

>  <MolWeight> (1)
530.44616

>  <Cat> (1)
S1014

>  <Name> (1)
Bosutinib (SKI-606)

>  <Synonyms> (1)
SKI-606

>  <Target> (1)
Autophagy,Bcr-Abl,ERK,S6 Kinase,Src,STAT

>  <Form> (1)
free base

>  <CAS> (1)
380843-75-4

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

$$$$
untitled.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (2)
13

>  <Formula> (2)
C53H84NO14P

>  <MolWeight> (2)
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>  <Cat> (2)
S1022

>  <Name> (2)
Ridaforolimus (Deforolimus, MK-8669)

>  <Synonyms> (2)
AP23573

>  <Target> (2)
FKBP,mTOR

>  <Form> (2)
free base

>  <CAS> (2)
572924-54-0

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

$$$$
untitled.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (3)
21

>  <Formula> (3)
C28H22F3N7O

>  <MolWeight> (3)
529.5157896

>  <Cat> (3)
S1033

>  <Name> (3)
Nilotinib (AMN-107)

>  <Synonyms> (3)
AMN-107

>  <Target> (3)
AMPK,Autophagy,Bcr-Abl

>  <Form> (3)
free base

>  <CAS> (3)
641571-10-0

>  <URL> (3)
http://selleckchem.com/products/Nilotinib.html

$$$$
1.cdx
csChFnd80/04072409352D

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  1  2  2  0  0  0  0
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 26  7  1  0  0  0  0
M  END
>  <Mol_ID> (4)
26

>  <Formula> (4)
C19H16N4O3

>  <MolWeight> (4)
348.35534

>  <Cat> (4)
S1038

>  <Name> (4)
PI-103

>  <Synonyms> (4)
N/A

>  <Target> (4)
Apoptosis related,Autophagy,DNA-PK,mTOR,PI3K

>  <Form> (4)
free base

>  <CAS> (4)
371935-74-9

>  <URL> (4)
http://selleckchem.com/products/PI-103.html

$$$$
RAPAMYCIN.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (5)
27

>  <Formula> (5)
C51H79NO13

>  <MolWeight> (5)
914.17186

>  <Cat> (5)
S1039

>  <Name> (5)
Rapamycin (AY-22989)

>  <Synonyms> (5)
Rapamune, Sirolimus, NSC-2260804,AY-22989

>  <Target> (5)
Antineoplastic and Immunosuppressive Antibiotics,Autophagy,mTOR

>  <Form> (5)
free base

>  <CAS> (5)
53123-88-9

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

$$$$
untitled.cdx
csChFnd80/04072409352D

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 32 33  2  0  0  0  0
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 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (6)
41

>  <Formula> (6)
C23H27N7O3S2

>  <MolWeight> (6)
513.63558

>  <Cat> (6)
S1065

>  <Name> (6)
Pictilisib (GDC-0941)

>  <Synonyms> (6)
RG7321

>  <Target> (6)
Apoptosis related,Autophagy,PI3K

>  <Form> (6)
free base

>  <CAS> (6)
957054-30-7

>  <URL> (6)
http://selleckchem.com/products/GDC-0941.html

$$$$
1.cdx
csChFnd80/04072409352D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (7)
44

>  <Formula> (7)
C19H21F2N7O2

>  <MolWeight> (7)
417.4125464

>  <Cat> (7)
S1072

>  <Name> (7)
ZSTK474

>  <Synonyms> (7)
N/A

>  <Target> (7)
PI3K

>  <Form> (7)
free base

>  <CAS> (7)
475110-96-4

>  <URL> (7)
http://selleckchem.com/products/ZSTK474.html

$$$$
1.cdx
csChFnd80/04072409352D

 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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M  END
>  <Mol_ID> (8)
45

>  <Formula> (8)
C19H12Cl2N2O2

>  <MolWeight> (8)
371.21678

>  <Cat> (8)
S1075

>  <Name> (8)
SB216763

>  <Synonyms> (8)
N/A

>  <Target> (8)
Autophagy,GSK-3

>  <Form> (8)
free base

>  <CAS> (8)
280744-09-4

>  <URL> (8)
http://selleckchem.com/products/SB-216763.html

$$$$
SB203580.cdx
csChFnd80/04072409352D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (9)
46

>  <Formula> (9)
C21H16FN3OS

>  <MolWeight> (9)
377.4346432

>  <Cat> (9)
S1076

>  <Name> (9)
Adezmapimod (SB203580)

>  <Synonyms> (9)
RWJ 64809, PB 203580

>  <Target> (9)
Mitophagy,p38 MAPK

>  <Form> (9)
Free Base

>  <CAS> (9)
152121-47-6

>  <URL> (9)
http://selleckchem.com/products/SB-203580.html

$$$$

csChFnd80/04072409352D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (10)
48

>  <Formula> (10)
C25H23Cl2N5O

>  <MolWeight> (10)
480.38902

>  <Cat> (10)
S1078

>  <Name> (10)
MK-2206 2HCl

>  <Synonyms> (10)
N/A

>  <Target> (10)
Akt,Apoptosis related,Autophagy

>  <Form> (10)
Dihydrochloride

>  <CAS> (10)
1032350-13-2

>  <URL> (10)
http://selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (11)
56

>  <Formula> (11)
C21H17NO3S2

>  <MolWeight> (11)
395.49458

>  <Cat> (11)
S1092

>  <Name> (11)
KU-55933 (ATM Kinase Inhibitor)

>  <Synonyms> (11)
N/A

>  <Target> (11)
ATM/ATR,Autophagy,ULK

>  <Form> (11)
free base

>  <CAS> (11)
587871-26-9

>  <URL> (11)
http://selleckchem.com/products/KU-55933.html

$$$$
untitled.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (12)
57

>  <Formula> (12)
C44H47F2N9O5S

>  <MolWeight> (12)
851.9630864

>  <Cat> (12)
S1093

>  <Name> (12)
GSK1904529A

>  <Synonyms> (12)
GSK 4529

>  <Target> (12)
IGF-1R

>  <Form> (12)
free base

>  <CAS> (12)
1089283-49-7

>  <URL> (12)
http://selleckchem.com/products/GSK1904529A.html

$$$$
untitled.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (13)
66

>  <Formula> (13)
C19H17NO3

>  <MolWeight> (13)
307.34318

>  <Cat> (13)
S1105

>  <Name> (13)
LY294002

>  <Synonyms> (13)
SF 1101, NSC 697286

>  <Target> (13)
Apoptosis related,Autophagy,Casein Kinase,DNA-PK,PI3K

>  <Form> (13)
free base

>  <CAS> (13)
154447-36-6

>  <URL> (13)
http://selleckchem.com/products/LY294002.html

$$$$
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csChFnd80/04072409352D

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>  <Mol_ID> (14)
67

>  <Formula> (14)
C26H19F3N4O

>  <MolWeight> (14)
460.4504696

>  <Cat> (14)
S1106

>  <Name> (14)
OSU-03012 (AR-12)

>  <Synonyms> (14)
N/A

>  <Target> (14)
PDPK1

>  <Form> (14)
free base

>  <CAS> (14)
742112-33-0

>  <URL> (14)
http://selleckchem.com/products/OSU-03012.html

$$$$
Everolimus.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (15)
74

>  <Formula> (15)
C53H83NO14

>  <MolWeight> (15)
958.22442

>  <Cat> (15)
S1120

>  <Name> (15)
Everolimus (RAD001)

>  <Synonyms> (15)
RAD001,SDZ-RAD, Afinitor

>  <Target> (15)
Apoptosis related,Autophagy,FKBP,mTOR

>  <Form> (15)
free base

>  <CAS> (15)
159351-69-6

>  <URL> (15)
http://selleckchem.com/products/Everolimus(RAD001).html

$$$$
TGX-221.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (16)
98

>  <Formula> (16)
C21H24N4O2

>  <MolWeight> (16)
364.44086

>  <Cat> (16)
S1169

>  <Name> (16)
TGX-221

>  <Synonyms> (16)
N/A

>  <Target> (16)
PI3K

>  <Form> (16)
free base

>  <CAS> (16)
663619-89-4

>  <URL> (16)
http://selleckchem.com/products/TGX-221.html

$$$$
cyc116.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (17)
100

>  <Formula> (17)
C18H20N6OS

>  <MolWeight> (17)
368.456

>  <Cat> (17)
S1171

>  <Name> (17)
CYC116

>  <Synonyms> (17)
N/A

>  <Target> (17)
Aurora Kinase,VEGFR

>  <Form> (17)
free base

>  <CAS> (17)
693228-63-6

>  <URL> (17)
http://selleckchem.com/products/CYC116.html

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (18)
124

>  <Formula> (18)
C27H30ClNO11

>  <MolWeight> (18)
579.9802

>  <Cat> (18)
S1208

>  <Name> (18)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (18)
NSC 123127, DOX, Doxorubicin hydrochloride, Hydroxydaunorubicin HCl,Adriamycin HCl

>  <Target> (18)
ADC Cytotoxin,AMPK,Antibiotics,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,HIV,Mitophagy,Topoisomerase

>  <Form> (18)
Hydrochloride

>  <CAS> (18)
25316-40-9

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

$$$$
KU-0063794.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (19)
134

>  <Formula> (19)
C25H31N5O4

>  <MolWeight> (19)
465.54474

>  <Cat> (19)
S1226

>  <Name> (19)
KU-0063794

>  <Synonyms> (19)
N/A

>  <Target> (19)
mTOR

>  <Form> (19)
free base

>  <CAS> (19)
938440-64-3

>  <URL> (19)
http://selleckchem.com/products/KU-0063794.html

$$$$
WYE-354.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (20)
156

>  <Formula> (20)
C24H29N7O5

>  <MolWeight> (20)
495.53096

>  <Cat> (20)
S1266

>  <Name> (20)
WYE-354

>  <Synonyms> (20)
N/A

>  <Target> (20)
mTOR

>  <Form> (20)
free base

>  <CAS> (20)
1062169-56-5

>  <URL> (20)
http://selleckchem.com/products/WYE-354.html

$$$$
TG100-115.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (21)
224

>  <Formula> (21)
C18H14N6O2

>  <MolWeight> (21)
346.34276

>  <Cat> (21)
S1352

>  <Name> (21)
TG100-115

>  <Synonyms> (21)
N/A

>  <Target> (21)
PI3K

>  <Form> (21)
free base

>  <CAS> (21)
677297-51-7

>  <URL> (21)
http://selleckchem.com/products/TG100-115.html

$$$$
ON-01910.cdx
csChFnd80/04072409352D

 32 32  0  0  0  0  0  0  0  0999 V2000
    6.0664    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (22)
229

>  <Formula> (22)
C21H24NNaO8S

>  <MolWeight> (22)
473.47193

>  <Cat> (22)
S1362

>  <Name> (22)
Rigosertib (ON-01910)

>  <Synonyms> (22)
N/A

>  <Target> (22)
Akt,Apoptosis related,PI3K,PLK

>  <Form> (22)
Sodium Salt

>  <CAS> (22)
1225497-78-8

>  <URL> (22)
http://selleckchem.com/products/ON-01910.html

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (23)
232

>  <Formula> (23)
C22H19Cl3N8

>  <MolWeight> (23)
501.79886

>  <Cat> (23)
S2924

>  <Name> (23)
Laduviglusib (CHIR-99021) HCl

>  <Synonyms> (23)
CT99021 HCl

>  <Target> (23)
Autophagy,GSK-3,Wnt/beta-catenin

>  <Form> (23)
Hydrochloride

>  <CAS> (23)
1797989-42-4

>  <URL> (23)
http://selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$
resveratrol.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (24)
248

>  <Formula> (24)
C14H12O3

>  <MolWeight> (24)
228.24328

>  <Cat> (24)
S1396

>  <Name> (24)
Resveratrol (SRT501)

>  <Synonyms> (24)
trans-Resveratrol,SRT501

>  <Target> (24)
AMPK,Apoptosis related,Autophagy,COX,ERK,I¦ÊB/IKK,JNK,Lipoxygenase,Mitophagy,Sirtuin,Src,STAT

>  <Form> (24)
free base

>  <CAS> (24)
501-36-0

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

$$$$

csChFnd80/04072409352D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (25)
303

>  <Formula> (25)
C14H16ClN3O4S2

>  <MolWeight> (25)
389.87754

>  <Cat> (25)
S1489

>  <Name> (25)
PIK-93

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PI4K

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free base

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593960-11-3

>  <URL> (25)
http://selleckchem.com/products/PIK-93.html

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Palomid 529 (P529)

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SG 00529

>  <Target> (26)
mTOR

>  <Form> (26)
free base

>  <CAS> (26)
914913-88-5

>  <URL> (26)
http://selleckchem.com/products/Palomid-529-P529.html

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XL-765.cdx
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314

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C31H29N5O6S

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>  <Name> (27)
Voxtalisib (XL765) Analogue

>  <Synonyms> (27)
SAR245409

>  <Target> (27)
mTOR,PI3K

>  <Form> (27)
free base

>  <CAS> (27)
1349796-36-6

>  <URL> (27)
http://selleckchem.com/products/XL765(SAR245409).html

$$$$
AT7519.cdx
csChFnd80/04072409352D

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315

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C16H17Cl2N5O2

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AT7519

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N/A

>  <Target> (28)
Apoptosis related,CDK,GSK-3

>  <Form> (28)
Free Base

>  <CAS> (28)
844442-38-2

>  <URL> (28)
http://selleckchem.com/products/AT7519.html

$$$$
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>  <Mol_ID> (29)
335

>  <Formula> (29)
C25H31N5O4

>  <MolWeight> (29)
465.54474

>  <Cat> (29)
S1555

>  <Name> (29)
AZD8055

>  <Synonyms> (29)
N/A

>  <Target> (29)
Apoptosis related,Autophagy,mTOR

>  <Form> (29)
free base

>  <CAS> (29)
1009298-09-2

>  <URL> (29)
http://selleckchem.com/products/AZD8055.html

$$$$
PHT-427.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (30)
337

>  <Formula> (30)
C20H31N3O2S2

>  <MolWeight> (30)
409.60904

>  <Cat> (30)
S1556

>  <Name> (30)
PHT-427

>  <Synonyms> (30)
CS-0223

>  <Target> (30)
Akt,PDPK1

>  <Form> (30)
free base

>  <CAS> (30)
1191951-57-1

>  <URL> (30)
http://selleckchem.com/products/PHT-427.html

$$$$
AT7867.cdx
csChFnd80/04072409352D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (31)
340

>  <Formula> (31)
C20H20ClN3

>  <MolWeight> (31)
337.8459

>  <Cat> (31)
S1558

>  <Name> (31)
AT7867

>  <Synonyms> (31)
N/A

>  <Target> (31)
Akt,S6 Kinase

>  <Form> (31)
free base

>  <CAS> (31)
857531-00-1

>  <URL> (31)
http://selleckchem.com/products/AT7867.html

$$$$
KU-60019.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (32)
346

>  <Formula> (32)
C30H33N3O5S

>  <MolWeight> (32)
547.66512

>  <Cat> (32)
S1570

>  <Name> (32)
KU-60019

>  <Synonyms> (32)
N/A

>  <Target> (32)
ATM/ATR

>  <Form> (32)
free base

>  <CAS> (32)
925701-49-1

>  <URL> (32)
http://selleckchem.com/products/KU-60019.html

$$$$
ALINIA (nitazoxanide).cdx
csChFnd80/04072409352D

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>  <Mol_ID> (33)
373

>  <Formula> (33)
C12H9N3O5S

>  <MolWeight> (33)
307.28196

>  <Cat> (33)
S1627

>  <Name> (33)
Nitazoxanide (NSC 697855)

>  <Synonyms> (33)
NTZ, NSC 697855

>  <Target> (33)
Autophagy,Influenza Virus,mTOR,Serotonin Transporter

>  <Form> (33)
free base

>  <CAS> (33)
55981-09-4

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

$$$$
Artemisinin.cdx
csChFnd80/04072409352D

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    5.5540    6.2747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3973    6.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4497    7.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    1.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1249    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1512    2.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.4354    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  1  0  0  0  0
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 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
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 11 13  1  6  0  0  0
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  1 21  1  6  0  0  0
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  4 22  1  6  0  0  0
  3 23  1  1  0  0  0
M  END
>  <Mol_ID> (34)
386

>  <Formula> (34)
C15H22O5

>  <MolWeight> (34)
282.33218

>  <Cat> (34)
S1282

>  <Name> (34)
Artemisinin

>  <Synonyms> (34)
Qinghaosu,Artemisinine,Coartem,NSC 369397

>  <Target> (34)
ADC Cytotoxin,Anti-infection

>  <Form> (34)
free base

>  <CAS> (34)
63968-64-9

>  <URL> (34)
http://selleckchem.com/products/Artemisinin.html

$$$$
clemastine fumarate.cdx
csChFnd80/04072409352D

 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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    2.2157    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.0386    2.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9836    7.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4001    7.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672    8.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (35)
475

>  <Formula> (35)
C25H30ClNO5

>  <MolWeight> (35)
459.9624

>  <Cat> (35)
S1847

>  <Name> (35)
Clemastine (HS-592) fumarate

>  <Synonyms> (35)
HS-592 fumarate, Meclastine fumarate

>  <Target> (35)
Autophagy,Histamine Receptor,mTOR

>  <Form> (35)
Fumarate

>  <CAS> (35)
14976-57-9

>  <URL> (35)
http://selleckchem.com/products/Clemastine-Fumarate.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/04072409352D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (36)
482

>  <Formula> (36)
C4H12ClN5

>  <MolWeight> (36)
165.62458

>  <Cat> (36)
S1950

>  <Name> (36)
Metformin HCl

>  <Synonyms> (36)
1,1-Dimethylbiguanide HCl

>  <Target> (36)
Autophagy,Carbohydrate Metabolism,JNK,Mitophagy,p38 MAPK

>  <Form> (36)
Hydrochloride

>  <CAS> (36)
1115-70-4

>  <URL> (36)
http://selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Indirubin.cdx
csChFnd80/04072409352D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8 10  2  0  0  0  0
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 19 14  1  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (37)
522

>  <Formula> (37)
C16H10N2O2

>  <MolWeight> (37)
262.2628

>  <Cat> (37)
S2386

>  <Name> (37)
Indirubin?(NSC 105327)

>  <Synonyms> (37)
NSC 105327

>  <Target> (37)
GSK-3

>  <Form> (37)
free base

>  <CAS> (37)
479-41-4

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

$$$$
CHIR-98014.cdx
csChFnd80/04072409352D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 33 29  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (38)
545

>  <Formula> (38)
C20H17Cl2N9O2

>  <MolWeight> (38)
486.31408

>  <Cat> (38)
S2745

>  <Name> (38)
CHIR-98014

>  <Synonyms> (38)
CT98014

>  <Target> (38)
GSK-3

>  <Form> (38)
free base

>  <CAS> (38)
252935-94-7

>  <URL> (38)
http://selleckchem.com/products/chir-98014.html

$$$$

csChFnd80/04072409352D

 47 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (39)
550

>  <Formula> (39)
C32H29F3N6O6

>  <MolWeight> (39)
650.6044696

>  <Cat> (39)
S2749

>  <Name> (39)
BGT226 (NVP-BGT226) maleate

>  <Synonyms> (39)
N/A

>  <Target> (39)
mTOR,PI3K

>  <Form> (39)
maleate

>  <CAS> (39)
1245537-68-1

>  <URL> (39)
http://selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
csChFnd80/04072409352D

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    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (40)
552

>  <Formula> (40)
C25H21N7O3

>  <MolWeight> (40)
467.47934

>  <Cat> (40)
S1219

>  <Name> (40)
YM201636

>  <Synonyms> (40)
N/A

>  <Target> (40)
Autophagy,PI3K,PIKfyve

>  <Form> (40)
free base

>  <CAS> (40)
371942-69-7

>  <URL> (40)
http://selleckchem.com/products/ym201636.html

$$$$
3-Methyladenine.cdx
csChFnd80/04072409352D

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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  1  0  0  0  0
  6  7  2  0  0  0  0
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  1  9  1  0  0  0  0
  4  9  1  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <Mol_ID> (41)
557

>  <Formula> (41)
C6H7N5

>  <MolWeight> (41)
149.15328

>  <Cat> (41)
S2767

>  <Name> (41)
3-Methyladenine (3-MA)

>  <Synonyms> (41)
NSC 66389

>  <Target> (41)
Autophagy,Mitophagy,PI3K

>  <Form> (41)
free base

>  <CAS> (41)
5142-23-4

>  <URL> (41)
http://selleckchem.com/products/3-methyladenine.html

$$$$
BX-795.cdx
csChFnd80/04072409352D

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.2157    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.8136    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
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 16 21  2  0  0  0  0
 23 24  1  0  0  0  0
 22 23  1  0  0  0  0
 18 22  1  0  0  0  0
 19 25  1  0  0  0  0
 15 16  1  0  0  0  0
 11 15  1  0  0  0  0
  8  9  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 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 29  1  0  0  0  0
 28 34  2  0  0  0  0
M  END
>  <Mol_ID> (42)
559

>  <Formula> (42)
C23H26IN7O2S

>  <MolWeight> (42)
591.46771

>  <Cat> (42)
S1274

>  <Name> (42)
BX-795

>  <Synonyms> (42)
N/A

>  <Target> (42)
Autophagy,I¦ÊB/IKK,PDPK1,TBK1

>  <Form> (42)
free base

>  <CAS> (42)
702675-74-9

>  <URL> (42)
http://selleckchem.com/products/bx-795.html

$$$$
BX-912.cdx
csChFnd80/04072409352D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.2157    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6406    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (43)
560

>  <Formula> (43)
C20H23BrN8O

>  <MolWeight> (43)
471.35362

>  <Cat> (43)
S1275

>  <Name> (43)
BX-912

>  <Synonyms> (43)
N/A

>  <Target> (43)
PDK

>  <Form> (43)
free base

>  <CAS> (43)
702674-56-4

>  <URL> (43)
http://selleckchem.com/products/bx-912.html

$$$$
CUDC-907.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (44)
568

>  <Formula> (44)
C23H24N8O4S

>  <MolWeight> (44)
508.55286

>  <Cat> (44)
S2759

>  <Name> (44)
Fimepinostat (CUDC-907)

>  <Synonyms> (44)
N/A

>  <Target> (44)
Apoptosis related,HDAC,PI3K

>  <Form> (44)
free base

>  <CAS> (44)
1339928-25-4

>  <URL> (44)
http://selleckchem.com/products/pi3k-hdac-inhibitor-i.html

$$$$
AZD2014.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (45)
581

>  <Formula> (45)
C25H30N6O3

>  <MolWeight> (45)
462.5441

>  <Cat> (45)
S2783

>  <Name> (45)
Vistusertib (AZD2014)

>  <Synonyms> (45)
N/A

>  <Target> (45)
Apoptosis related,Autophagy,mTOR

>  <Form> (45)
free base

>  <CAS> (45)
1009298-59-2

>  <URL> (45)
http://selleckchem.com/products/azd2014.html

$$$$
GDC-0068.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (46)
607

>  <Formula> (46)
C24H32ClN5O2

>  <MolWeight> (46)
457.99618

>  <Cat> (46)
S2808

>  <Name> (46)
Ipatasertib (GDC-0068)

>  <Synonyms> (46)
RG7440

>  <Target> (46)
Akt

>  <Form> (46)
free base

>  <CAS> (46)
1001264-89-6

>  <URL> (46)
http://selleckchem.com/products/gdc-0068.html

$$$$
Torin 2.cdx
csChFnd80/04072409352D

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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (47)
611

>  <Formula> (47)
C24H15F3N4O

>  <MolWeight> (47)
432.3973096

>  <Cat> (47)
S2817

>  <Name> (47)
Torin 2

>  <Synonyms> (47)
N/A

>  <Target> (47)
Apoptosis related,ATM/ATR,Autophagy,DNA-PK,mTOR

>  <Form> (47)
free base

>  <CAS> (47)
1223001-51-1

>  <URL> (47)
http://selleckchem.com/products/torin-2.html

$$$$
BYL-719.cdx
csChFnd80/04072409352D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (48)
612

>  <Formula> (48)
C19H22F3N5O2S

>  <MolWeight> (48)
441.4704896

>  <Cat> (48)
S2814

>  <Name> (48)
Alpelisib (BYL719)

>  <Synonyms> (48)
N/A

>  <Target> (48)
PI3K

>  <Form> (48)
free base

>  <CAS> (48)
1217486-61-7

>  <URL> (48)
http://selleckchem.com/products/byl719.html

$$$$
Quercetin.cdx
csChFnd80/04072409352D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (49)
619

>  <Formula> (49)
C15H10O7

>  <MolWeight> (49)
302.2357

>  <Cat> (49)
S2391

>  <Name> (49)
Quercetin (NSC 9221)

>  <Synonyms> (49)
Sophoretin, C.I. 75720

>  <Target> (49)
Apoptosis related,Autophagy,Mitophagy,PI3K,PKC,Sirtuin,Src

>  <Form> (49)
Free Base

>  <CAS> (49)
117-39-5

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

$$$$
Salidroside.cdx
csChFnd80/04072409352D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (50)
623

>  <Formula> (50)
C14H20O7

>  <MolWeight> (50)
300.3044

>  <Cat> (50)
S2396

>  <Name> (50)
Salidroside

>  <Synonyms> (50)
Rhodioloside

>  <Target> (50)
Mitophagy,mTOR,PREP

>  <Form> (50)
free base

>  <CAS> (50)
10338-51-9

>  <URL> (50)
http://selleckchem.com/products/Salidroside-Rhodioloside.html

$$$$
PIK 293.cdx
csChFnd80/04072409352D

 30 34  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
  3 12  2  0  0  0  0
  2 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 18 13  1  0  0  0  0
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 29 25  1  0  0  0  0
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M  END
>  <Mol_ID> (51)
673

>  <Formula> (51)
C22H19N7O

>  <MolWeight> (51)
397.43256

>  <Cat> (51)
S2207

>  <Name> (51)
PIK-293

>  <Synonyms> (51)
N/A

>  <Target> (51)
PI3K

>  <Form> (51)
free base

>  <CAS> (51)
900185-01-5

>  <URL> (51)
http://selleckchem.com/products/PIK-293.html

$$$$
PP442.cdx
csChFnd80/04072409352D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0  0  0  0
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 14 15  1  0  0  0  0
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 18 14  2  0  0  0  0
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 22 17  1  0  0  0  0
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M  END
>  <Mol_ID> (52)
679

>  <Formula> (52)
C16H16N6O

>  <MolWeight> (52)
308.33784

>  <Cat> (52)
S2218

>  <Name> (52)
Torkinib (PP242)

>  <Synonyms> (52)
N/A

>  <Target> (52)
Apoptosis related,Autophagy,Mitophagy,mTOR

>  <Form> (52)
free base

>  <CAS> (52)
1092351-67-1

>  <URL> (52)
http://selleckchem.com/products/PP242.html

$$$$
(+)-Usniacin.cdx
csChFnd80/04072409352D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
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  6 11  1  0  0  0  0
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 14  5  1  0  0  0  0
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M  END
>  <Mol_ID> (53)
683

>  <Formula> (53)
C18H16O7

>  <MolWeight> (53)
344.31544

>  <Cat> (53)
S2252

>  <Name> (53)
(+)-Usniacin

>  <Synonyms> (53)
D-Usnic Acid

>  <Target> (53)
Others

>  <Form> (53)
free base

>  <CAS> (53)
7562-61-0

>  <URL> (53)
http://selleckchem.com/products/Usniacin-D-Usnic-acid.html

$$$$
Apigenin.cdx
csChFnd80/04072409352D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (54)
689

>  <Formula> (54)
C15H10O5

>  <MolWeight> (54)
270.2369

>  <Cat> (54)
S2262

>  <Name> (54)
Apigenin (LY 080400)

>  <Synonyms> (54)
NSC 83244

>  <Target> (54)
P450 (e.g. CYP17)

>  <Form> (54)
free base

>  <CAS> (54)
520-36-5

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

$$$$
Honokiol.cdx
csChFnd80/04072409352D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (55)
724

>  <Formula> (55)
C18H18O2

>  <MolWeight> (55)
266.33432

>  <Cat> (55)
S2310

>  <Name> (55)
Honokiol (NSC 293100)

>  <Synonyms> (55)
N/A

>  <Target> (55)
Akt,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,HCV,MEK

>  <Form> (55)
free base

>  <CAS> (55)
35354-74-6

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

$$$$
Myricetin.cdx
csChFnd80/04072409352D

 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
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M  END
>  <Mol_ID> (56)
736

>  <Formula> (56)
C15H10O8

>  <MolWeight> (56)
318.2351

>  <Cat> (56)
S2326

>  <Name> (56)
Myricetin

>  <Synonyms> (56)
Cannabiscetin

>  <Target> (56)
MEK

>  <Form> (56)
free base

>  <CAS> (56)
529-44-2

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

$$$$
Oridonin.cdx
csChFnd80/04072409352D

 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
    0.6429    3.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.7778    4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.6980    9.1019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  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> (57)
743

>  <Formula> (57)
C20H28O6

>  <MolWeight> (57)
364.43272

>  <Cat> (57)
S2335

>  <Name> (57)
Oridonin (NSC-250682)

>  <Synonyms> (57)
Isodonol, Rubescenin

>  <Target> (57)
Akt,Bacterial

>  <Form> (57)
free base

>  <CAS> (57)
28957-04-2

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/04072409352D

 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> (58)
753

>  <Formula> (58)
C15H14O9

>  <MolWeight> (58)
338.26626

>  <Cat> (58)
S2347

>  <Name> (58)
Quercetin Dihydrate

>  <Synonyms> (58)
Sophoretin

>  <Target> (58)
PI3K,Sirtuin

>  <Form> (58)
Dihydrate

>  <CAS> (58)
6151-25-3

>  <URL> (58)
http://selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/04072409352D

 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
    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
   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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  1  0  0  0
  9 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 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
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (59)
758

>  <Formula> (59)
C15H12O8

>  <MolWeight> (59)
320.25098

>  <Cat> (59)
S2399

>  <Name> (59)
Dihydromyricetin

>  <Synonyms> (59)
Ampeloptin

>  <Target> (59)
GABA Receptor,ROS

>  <Form> (59)
free base

>  <CAS> (59)
27200-12-0

>  <URL> (59)
http://selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

$$$$
Sophocarpine.cdx
csChFnd80/04072409352D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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
  8 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  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  1  1  0  0  0
 10 20  1  6  0  0  0
  9 21  1  6  0  0  0
  8 22  1  6  0  0  0
M  END
>  <Mol_ID> (60)
761

>  <Formula> (60)
C15H22N2O

>  <MolWeight> (60)
246.34798

>  <Cat> (60)
S2405

>  <Name> (60)
Sophocarpine

>  <Synonyms> (60)
N/A

>  <Target> (60)
Potassium Channel

>  <Form> (60)
free base

>  <CAS> (60)
6483-15-4

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

$$$$
Chrysophanic acid.cdx
csChFnd80/04072409352D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (61)
762

>  <Formula> (61)
C15H10O4

>  <MolWeight> (61)
254.2375

>  <Cat> (61)
S2406

>  <Name> (61)
Chrysophanic Acid

>  <Synonyms> (61)
Chrysophanol

>  <Target> (61)
EGFR,mTOR

>  <Form> (61)
free base

>  <CAS> (61)
481-74-3

>  <URL> (61)
http://selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
TAK-901.cdx
csChFnd80/04072409352D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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free base

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free base

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1086062-66-9

>  <URL> (63)
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free base

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870281-82-6

>  <URL> (64)
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>  <Mol_ID> (65)
834

>  <Formula> (65)
C28H23N7O2

>  <MolWeight> (65)
489.52792

>  <Cat> (65)
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>  <Name> (65)
PIK-294

>  <Synonyms> (65)
N/A

>  <Target> (65)
PI3K

>  <Form> (65)
free base

>  <CAS> (65)
900185-02-6

>  <URL> (65)
http://selleckchem.com/products/PIK-294.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (66)
840

>  <Formula> (66)
C10H16ClN5

>  <MolWeight> (66)
241.72054

>  <Cat> (66)
S2542

>  <Name> (66)
Phenformin (NSC-756501) HCl

>  <Synonyms> (66)
Phenethylbiguanide HCl

>  <Target> (66)
AMPK

>  <Form> (66)
Hydrochloride

>  <CAS> (66)
834-28-6

>  <URL> (66)
http://selleckchem.com/products/Phenformin-hydrochloride.html

$$$$
OSI-027.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (67)
845

>  <Formula> (67)
C21H22N6O3

>  <MolWeight> (67)
406.43778

>  <Cat> (67)
S2624

>  <Name> (67)
OSI-027

>  <Synonyms> (67)
ASP4786, CERC 006, AEVI-006

>  <Target> (67)
Autophagy,mTOR

>  <Form> (67)
free base

>  <CAS> (67)
936890-98-1

>  <URL> (67)
http://selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (68)
846

>  <Formula> (68)
C17H17N7

>  <MolWeight> (68)
319.36378

>  <Cat> (68)
S2622

>  <Name> (68)
PP121

>  <Synonyms> (68)
N/A

>  <Target> (68)
Bcr-Abl,DNA-PK,mTOR,PDGFR,Src,VEGFR

>  <Form> (68)
free base

>  <CAS> (68)
1092788-83-4

>  <URL> (68)
http://selleckchem.com/products/PP121.html

$$$$
BKM-120.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (69)
855

>  <Formula> (69)
C18H21F3N6O2

>  <MolWeight> (69)
410.3935496

>  <Cat> (69)
S2247

>  <Name> (69)
Buparlisib (BKM120)

>  <Synonyms> (69)
NVP-BKM120

>  <Target> (69)
Apoptosis related,PI3K

>  <Form> (69)
free base

>  <CAS> (69)
944396-07-0

>  <URL> (69)
http://selleckchem.com/products/BKM-120.html

$$$$
TAK733.cdx
csChFnd80/04072409352D

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885499-61-6

>  <URL> (71)
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PI3K

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free base

>  <CAS> (72)
1166227-08-2

>  <URL> (72)
http://selleckchem.com/products/a66.html

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883

>  <Formula> (79)
C27H33N7O4

>  <MolWeight> (79)
519.59542

>  <Cat> (79)
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>  <Name> (79)
WYE-125132 (WYE-132)

>  <Synonyms> (79)
N/A

>  <Target> (79)
mTOR

>  <Form> (79)
free base

>  <CAS> (79)
1144068-46-1

>  <URL> (79)
http://selleckchem.com/products/wye-125132.html

$$$$
TWS119.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (80)
889

>  <Formula> (80)
C18H14N4O2

>  <MolWeight> (80)
318.32936

>  <Cat> (80)
S1590

>  <Name> (80)
TWS119

>  <Synonyms> (80)
N/A

>  <Target> (80)
Autophagy,GSK-3

>  <Form> (80)
free base

>  <CAS> (80)
601514-19-6

>  <URL> (80)
http://selleckchem.com/products/TWS119.html

$$$$
untitled.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (81)
890

>  <Formula> (81)
C25H26ClN5O3

>  <MolWeight> (81)
479.95864

>  <Cat> (81)
S1012

>  <Name> (81)
BMS-536924

>  <Synonyms> (81)
CS-0117

>  <Target> (81)
IGF-1R

>  <Form> (81)
free base

>  <CAS> (81)
468740-43-4

>  <URL> (81)
http://selleckchem.com/products/BMS-536924.html

$$$$
937174-76-0.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (82)
891

>  <Formula> (82)
C21H27N7O3

>  <MolWeight> (82)
425.48418

>  <Cat> (82)
S1113

>  <Name> (82)
GSK690693

>  <Synonyms> (82)
N/A

>  <Target> (82)
Akt,AMPK,Autophagy,DAPK,PKA,PKC,STING,ULK

>  <Form> (82)
free base

>  <CAS> (82)
937174-76-0

>  <URL> (82)
http://selleckchem.com/products/GSK690693.html

$$$$
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csChFnd80/04072409352D

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909

>  <Formula> (83)
C20H12N2O3S

>  <MolWeight> (83)
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>  <Cat> (83)
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>  <Name> (83)
A-769662

>  <Synonyms> (83)
N/A

>  <Target> (83)
AMPK,Fatty Acid Synthase

>  <Form> (83)
free base

>  <CAS> (83)
844499-71-4

>  <URL> (83)
http://selleckchem.com/products/a-769662.html

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>  <Formula> (84)
C15H19N7O3S

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>  <Name> (84)
CH5132799

>  <Synonyms> (84)
MEN1611, PA799

>  <Target> (84)
PI3K

>  <Form> (84)
free base

>  <CAS> (84)
1007207-67-1

>  <URL> (84)
http://selleckchem.com/products/ch5132799.html

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>  <Mol_ID> (85)
921

>  <Formula> (85)
C23H30N8O3S

>  <MolWeight> (85)
498.6011

>  <Cat> (85)
S2696

>  <Name> (85)
Apitolisib (GDC-0980)

>  <Synonyms> (85)
RG7422, GNE 390

>  <Target> (85)
Apoptosis related,Autophagy,mTOR,PI3K

>  <Form> (85)
free base

>  <CAS> (85)
1032754-93-0

>  <URL> (85)
http://selleckchem.com/products/GDC-0980-RG7422.html

$$$$
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csChFnd80/04072409352D

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>  <Mol_ID> (86)
932

>  <Formula> (86)
C16H10ClN3O5

>  <MolWeight> (86)
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>  <Cat> (86)
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>  <Name> (86)
SB415286

>  <Synonyms> (86)
N/A

>  <Target> (86)
Apoptosis related,GSK-3

>  <Form> (86)
free base

>  <CAS> (86)
264218-23-7

>  <URL> (86)
http://selleckchem.com/products/sb-415286.html

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INK 128.cdx
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>  <Formula> (87)
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>  <MolWeight> (87)
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>  <Cat> (87)
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>  <Name> (87)
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>  <Synonyms> (87)
INK 128,TAK-228

>  <Target> (87)
mTOR

>  <Form> (87)
free base

>  <CAS> (87)
1224844-38-5

>  <URL> (87)
http://selleckchem.com/products/ink128.html

$$$$
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1013101-36-4

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T0070907

>  <Synonyms> (93)
N/A

>  <Target> (93)
DNA-PK,PPAR,RAD51

>  <Form> (93)
free base

>  <CAS> (93)
313516-66-4

>  <URL> (93)
http://selleckchem.com/products/t0070907.html

$$$$
Schisandrin B.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (94)
1091

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C23H28O6

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400.46482

>  <Cat> (94)
S3600

>  <Name> (94)
Schisandrin B (Sch B)

>  <Synonyms> (94)
N/A

>  <Target> (94)
ATM/ATR,P-gp

>  <Form> (94)
free base

>  <CAS> (94)
61281-37-6

>  <URL> (94)
http://selleckchem.com/products/schisandrin-b.html

$$$$
BI-D1870.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (95)
1113

>  <Formula> (95)
C19H23F2N5O2

>  <MolWeight> (95)
391.4150264

>  <Cat> (95)
S2843

>  <Name> (95)
BI-D1870

>  <Synonyms> (95)
N/A

>  <Target> (95)
Autophagy,ROS,S6 Kinase

>  <Form> (95)
free base

>  <CAS> (95)
501437-28-1

>  <URL> (95)
http://selleckchem.com/products/bi-d1870.html

$$$$
TDZD-8.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (96)
1150

>  <Formula> (96)
C10H10N2O2S

>  <MolWeight> (96)
222.2636

>  <Cat> (96)
S2926

>  <Name> (96)
TDZD-8

>  <Synonyms> (96)
NP 01139

>  <Target> (96)
COVID-19,GSK-3

>  <Form> (96)
free base

>  <CAS> (96)
327036-89-5

>  <URL> (96)
http://selleckchem.com/products/tdzd-8.html

$$$$
H-89.cdx
csChFnd80/04072409352D

 29 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (97)
1155

>  <Formula> (97)
C20H22BrCl2N3O2S

>  <MolWeight> (97)
519.28258

>  <Cat> (97)
S1582

>  <Name> (97)
H 89 2HCl

>  <Synonyms> (97)
N/A

>  <Target> (97)
Autophagy,PKA,PKG,S6 Kinase

>  <Form> (97)
Dihydrochloride

>  <CAS> (97)
130964-39-5

>  <URL> (97)
http://selleckchem.com/products/H-89-dihydrochloride.html

$$$$
aicar.cdx
csChFnd80/04072409352D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   10.0165    5.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  5  1  1  0  0  0  0
  5  6  1  1  0  0  0
  3  7  1  1  0  0  0
  1  8  1  6  0  0  0
  2  9  1  6  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 14  7  1  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (98)
1238

>  <Formula> (98)
C9H14N4O5

>  <MolWeight> (98)
258.23126

>  <Cat> (98)
S1802

>  <Name> (98)
AICAR (Acadesine)

>  <Synonyms> (98)
NSC105823, AICA Riboside

>  <Target> (98)
AMPK,Mitophagy

>  <Form> (98)
free base

>  <CAS> (98)
2627-69-2

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

$$$$
PF-04708671.cdx
csChFnd80/04072409352D

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 19  1  1  0  0  0  0
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  8  9  2  0  0  0  0
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 18  2  1  0  0  0  0
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M  END
>  <Mol_ID> (99)
1242

>  <Formula> (99)
C19H21F3N6

>  <MolWeight> (99)
390.4054496

>  <Cat> (99)
S2163

>  <Name> (99)
PF-4708671

>  <Synonyms> (99)
N/A

>  <Target> (99)
Autophagy,S6 Kinase

>  <Form> (99)
free base

>  <CAS> (99)
1255517-76-0

>  <URL> (99)
http://selleckchem.com/products/pf-4708671.html

$$$$
untitled.cdx
csChFnd80/04072409352D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 17 21  1  0  0  0  0
  5  8  1  1  0  0  0
  1 23  1  6  0  0  0
  2 22  1  6  0  0  0
M  END
>  <Mol_ID> (100)
1440

>  <Formula> (100)
C13H16N6O4

>  <MolWeight> (100)
320.30394

>  <Cat> (100)
S1117

>  <Name> (100)
Triciribine (NSC 154020)

>  <Synonyms> (100)
VD-0002, vqd-002, API-2, TCN

>  <Target> (100)
Akt,DNA/RNA Synthesis,HIV

>  <Form> (100)
free base

>  <CAS> (100)
35943-35-2

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

$$$$
Flufenamic acid.cdx
csChFnd80/04072409352D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    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
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M  END
>  <Mol_ID> (101)
1466

>  <Formula> (101)
C14H10F3NO2

>  <MolWeight> (101)
281.2299096

>  <Cat> (101)
S4268

>  <Name> (101)
Flufenamic acid

>  <Synonyms> (101)
N/A

>  <Target> (101)
Immunology & Inflammation related

>  <Form> (101)
free base

>  <CAS> (101)
530-78-9

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

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/04072409352D

 58 61  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (102)
1508

>  <Formula> (102)
C44H69NO12

>  <MolWeight> (102)
804.01816

>  <Cat> (102)
S5003

>  <Name> (102)
Tacrolimus (FK506)

>  <Synonyms> (102)
FK506, FR900506, Fujimycin, Prograf

>  <Target> (102)
Autophagy,FKBP,phosphatase

>  <Form> (102)
free base

>  <CAS> (102)
104987-11-3

>  <URL> (102)
http://selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (103)
1511

>  <Formula> (103)
C56H87NO16

>  <MolWeight> (103)
1030.28708

>  <Cat> (103)
S1044

>  <Name> (103)
Temsirolimus (CCI-779)

>  <Synonyms> (103)
NSC 683864,CCI-779

>  <Target> (103)
Apoptosis related,Autophagy,mTOR

>  <Form> (103)
free base

>  <CAS> (103)
162635-04-3

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

$$$$
S1263.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (104)
1535

>  <Formula> (104)
C22H18Cl2N8

>  <MolWeight> (104)
465.33792

>  <Cat> (104)
S1263

>  <Name> (104)
Laduviglusib (CHIR-99021)

>  <Synonyms> (104)
CT99021

>  <Target> (104)
Autophagy,GSK-3,Wnt/beta-catenin

>  <Form> (104)
free base

>  <CAS> (104)
252917-06-9

>  <URL> (104)
http://selleckchem.com/products/CHIR-99021.html

$$$$
Danthron.cdx
csChFnd80/04072409352D

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    4.8360    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  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> (105)
1567

>  <Formula> (105)
C14H8O4

>  <MolWeight> (105)
240.21092

>  <Cat> (105)
S4561

>  <Name> (105)
Danthron

>  <Synonyms> (105)
chrysazin, Antrapurol

>  <Target> (105)
AMPK

>  <Form> (105)
free base

>  <CAS> (105)
117-10-2

>  <URL> (105)
http://selleckchem.com/products/danthron.html

$$$$
S4711 Esculetin.cdx
csChFnd80/04072409352D

 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> (106)
1668

>  <Formula> (106)
C9H6O4

>  <MolWeight> (106)
178.14154

>  <Cat> (106)
S4711

>  <Name> (106)
Esculetin

>  <Synonyms> (106)
Cichorigenin, Aesculetin

>  <Target> (106)
Lipoxygenase

>  <Form> (106)
free base

>  <CAS> (106)
305-01-1

>  <URL> (106)
http://selleckchem.com/products/esculetin.html

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/04072409352D

 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> (107)
1835

>  <Formula> (107)
C16H16O4

>  <MolWeight> (107)
272.29584

>  <Cat> (107)
S3940

>  <Name> (107)
3'-Hydroxypterostilbene

>  <Synonyms> (107)
3'-HPT

>  <Target> (107)
ERK,JNK,p38 MAPK,S6 Kinase

>  <Form> (107)
free base

>  <CAS> (107)
475231-21-1

>  <URL> (107)
http://selleckchem.com/products/3-hydroxypterostilbene.html

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/04072409352D

 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> (108)
1840

>  <Formula> (108)
C18H22O4

>  <MolWeight> (108)
302.36488

>  <Cat> (108)
S3984

>  <Name> (108)
Nordihydroguaiaretic acid (NDGA)

>  <Synonyms> (108)
N/A

>  <Target> (108)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Ferroptosis,HER2,IGF-1R,Lipoxygenase

>  <Form> (108)
free base

>  <CAS> (108)
500-38-9

>  <URL> (108)
http://selleckchem.com/products/nordihydroguaiaretic-acid.html

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/04072409352D

 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> (109)
1844

>  <Formula> (109)
C6H13NO4

>  <MolWeight> (109)
163.17172

>  <Cat> (109)
S3839

>  <Name> (109)
1-Deoxynojirimycin

>  <Synonyms> (109)
duvoglustat, moranolin

>  <Target> (109)
Carbohydrate Metabolism

>  <Form> (109)
free base

>  <CAS> (109)
19130-96-2

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

$$$$
S3836 6-Gingerol.cdx
csChFnd80/04072409352D

 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> (110)
1861

>  <Formula> (110)
C17H26O4

>  <MolWeight> (110)
294.38594

>  <Cat> (110)
S3836

>  <Name> (110)
6-Gingerol

>  <Synonyms> (110)
N/A

>  <Target> (110)
Apoptosis related

>  <Form> (110)
free base

>  <CAS> (110)
23513-14-6

>  <URL> (110)
http://selleckchem.com/products/6-gingerol.html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/04072409352D

 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
    7.9584    5.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (111)
1933

>  <Formula> (111)
C41H68O14

>  <MolWeight> (111)
784.97022

>  <Cat> (111)
S3901

>  <Name> (111)
Astragaloside IV

>  <Synonyms> (111)
AST-IV, AS-IV

>  <Target> (111)
Akt,ERK,JNK,mTOR,NF-¦ÊB

>  <Form> (111)
free base

>  <CAS> (111)
84687-43-4

>  <URL> (111)
http://selleckchem.com/products/sastragaloside-iv.html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (112)
1935

>  <Formula> (112)
C20H24O11

>  <MolWeight> (112)
440.39796

>  <Cat> (112)
S3781

>  <Name> (112)
Ginkgolide C

>  <Synonyms> (112)
BN-52022

>  <Target> (112)
MMP

>  <Form> (112)
free base

>  <CAS> (112)
15291-76-6

>  <URL> (112)
http://selleckchem.com/products/ginkgolide-c.html

$$$$
Torin 1.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (113)
1961

>  <Formula> (113)
C35H28F3N5O2

>  <MolWeight> (113)
607.6243296

>  <Cat> (113)
S2827

>  <Name> (113)
Torin 1

>  <Synonyms> (113)
N/A

>  <Target> (113)
Autophagy,mTOR

>  <Form> (113)
Free Base

>  <CAS> (113)
1222998-36-8

>  <URL> (113)
http://selleckchem.com/products/torin-1.html

$$$$
TG 100713.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (114)
1966

>  <Formula> (114)
C12H10N6O

>  <MolWeight> (114)
254.2474

>  <Cat> (114)
S2870

>  <Name> (114)
TG100713

>  <Synonyms> (114)
N/A

>  <Target> (114)
PI3K

>  <Form> (114)
Free Base

>  <CAS> (114)
925705-73-3

>  <URL> (114)
http://selleckchem.com/products/tg-100713.html

$$$$
CGK 733.cdx
csChFnd80/04072409352D

 35 37  0  0  0  0  0  0  0  0999 V2000
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    7.2536    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8825    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
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 31 32  1  0  0  0  0
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 35 24  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (115)
1983

>  <Formula> (115)
C23H18Cl3FN4O3S

>  <MolWeight> (115)
555.8364232

>  <Cat> (115)
S7136

>  <Name> (115)
CGK 733

>  <Synonyms> (115)
N/A

>  <Target> (115)
ATM/ATR

>  <Form> (115)
free base

>  <CAS> (115)
905973-89-9

>  <URL> (115)
http://selleckchem.com/products/cgk-733.html

$$$$
NU6027.cdx
csChFnd80/04072409352D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    2.4249    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (116)
1989

>  <Formula> (116)
C11H17N5O2

>  <MolWeight> (116)
251.28498

>  <Cat> (116)
S7114

>  <Name> (116)
NU6027

>  <Synonyms> (116)
N/A

>  <Target> (116)
CDK

>  <Form> (116)
free base

>  <CAS> (116)
220036-08-8

>  <URL> (116)
http://selleckchem.com/products/nu6027.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/04072409352D

 32 31  0  0  0  0  0  0  0  0999 V2000
    3.6275    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275    4.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    6.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    6.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8459    3.3982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    3.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    7.5865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    4.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    8.2873    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.3927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
M  END
>  <Mol_ID> (117)
1993

>  <Formula> (117)
C18H32ClN3O8P2

>  <MolWeight> (117)
515.862502

>  <Cat> (117)
S4157

>  <Name> (117)
Chloroquine diphosphate

>  <Synonyms> (117)
N/A

>  <Target> (117)
Anti-infection,ATM/ATR,Autophagy,COVID-19,TLR

>  <Form> (117)
diphosphate

>  <CAS> (117)
50-63-5

>  <URL> (117)
http://selleckchem.com/products/chloroquine-phosphate.html

$$$$
S4953 Usnic acid.cdx
csChFnd80/04072409352D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0222    2.1098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6216    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0222    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6633    0.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6216    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    1.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218    4.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4264    2.1163    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2721    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    0.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6445    1.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4217    5.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
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  3  8  1  0  0  0  0
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  4 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6  8  1  0  0  0  0
  7 13  2  0  0  0  0
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 10 16  1  0  0  0  0
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M  END
>  <Mol_ID> (118)
2158

>  <Formula> (118)
C18H16O7

>  <MolWeight> (118)
344.31544

>  <Cat> (118)
S4953

>  <Name> (118)
Usnic acid

>  <Synonyms> (118)
Usniacin

>  <Target> (118)
Akt,ERK

>  <Form> (118)
free base

>  <CAS> (118)
125-46-2

>  <URL> (118)
http://selleckchem.com/products/usnic-acid.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/04072409352D

 43 47  0  0  0  0  0  0  0  0999 V2000
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    8.1564    4.1113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (119)
2161

>  <Formula> (119)
C32H40O8

>  <MolWeight> (119)
552.6552

>  <Cat> (119)
S3832

>  <Name> (119)
Euphorbiasteroid

>  <Synonyms> (119)
Euphorbia factor L1

>  <Target> (119)
AMPK

>  <Form> (119)
free base

>  <CAS> (119)
28649-59-4

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

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/04072409352D

 68 74  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (120)
2215

>  <Formula> (120)
C47H80O18

>  <MolWeight> (120)
933.1273

>  <Cat> (120)
S3785

>  <Name> (120)
Notoginsenoside R1

>  <Synonyms> (120)
Sanchinoside R1, NG-R1, NGR1

>  <Target> (120)
Akt,ERK,PAI-1,PI3K

>  <Form> (120)
free base

>  <CAS> (120)
80418-24-2

>  <URL> (120)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/04072409352D

 44 48  0  0  0  0  0  0  0  0999 V2000
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 31 32  2  0  0  0  0
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M  END
>  <Mol_ID> (121)
2228

>  <Formula> (121)
C29H36O15

>  <MolWeight> (121)
624.58714

>  <Cat> (121)
S2323

>  <Name> (121)
Methyl-Hesperidin

>  <Synonyms> (121)
N/A

>  <Target> (121)
Akt,PKC

>  <Form> (121)
free base

>  <CAS> (121)
11013-97-1

>  <URL> (121)
http://selleckchem.com/products/Methyl-Hesperidin.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/04072409352D

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 29 32  1  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (122)
2233

>  <Formula> (122)
C21H18O12

>  <MolWeight> (122)
462.36042

>  <Cat> (122)
S3810

>  <Name> (122)
Scutellarin

>  <Synonyms> (122)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (122)
Akt,NF-¦ÊB,STAT

>  <Form> (122)
free base

>  <CAS> (122)
27740-01-8

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

$$$$
untitled.cdx
csChFnd80/04072409352D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 13 15  1  0  0  0  0
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 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (123)
2237

>  <Formula> (123)
C22H24BrFN4O2

>  <MolWeight> (123)
475.3539632

>  <Cat> (123)
S1046

>  <Name> (123)
Vandetanib (ZD6474)

>  <Synonyms> (123)
ZD6474

>  <Target> (123)
Apoptosis related,Autophagy,EGFR,ROS,VEGFR

>  <Form> (123)
free base

>  <CAS> (123)
443913-73-3

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

$$$$
untitled.cdx
csChFnd80/04072409352D

 27 26  0  0  0  0  0  0  0  0999 V2000
   23.5990    4.5249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 26 27  1  0  0  0  0
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  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (124)
2241

>  <Formula> (124)
C21H46NO4P

>  <MolWeight> (124)
407.568001

>  <Cat> (124)
S3056

>  <Name> (124)
Miltefosine

>  <Synonyms> (124)
Hexadecylphosphocholine

>  <Target> (124)
Akt

>  <Form> (124)
free base

>  <CAS> (124)
58066-85-6

>  <URL> (124)
http://selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
NU7026.cdx
csChFnd80/04072409352D

 21 24  0  0  0  0  0  0  0  0999 V2000
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1232410-49-9

>  <URL> (126)
http://selleckchem.com/products/ve-821.html

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PI3K

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free base

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1372540-25-4

>  <URL> (127)
http://selleckchem.com/products/gsk2636771.html

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2313

>  <Formula> (130)
C24H32N6O3

>  <MolWeight> (130)
452.54928

>  <Cat> (130)
S8040

>  <Name> (130)
GDC-0349

>  <Synonyms> (130)
RG-7603

>  <Target> (130)
mTOR

>  <Form> (130)
free base

>  <CAS> (130)
1207360-89-1

>  <URL> (130)
http://selleckchem.com/products/gdc-0349.html

$$$$
untitled.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (131)
2319

>  <Formula> (131)
C21H16N6O2S2

>  <MolWeight> (131)
448.52074

>  <Cat> (131)
S1118

>  <Name> (131)
XL147 analogue

>  <Synonyms> (131)
SAR245408

>  <Target> (131)
Apoptosis related,PI3K

>  <Form> (131)
Free Base

>  <CAS> (131)
956958-53-5

>  <URL> (131)
http://selleckchem.com/products/XL147.html

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (132)
2323

>  <Formula> (132)
C16H15BrClN5O4S

>  <MolWeight> (132)
488.7434

>  <Cat> (132)
S1205

>  <Name> (132)
PIK-75 HCl

>  <Synonyms> (132)
N/A

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

>  <Form> (132)
Hydrochloride

>  <CAS> (132)
372196-77-5

>  <URL> (132)
http://selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
S1037.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (133)
2327

>  <Formula> (133)
C25H52NO4P

>  <MolWeight> (133)
461.658441

>  <Cat> (133)
S1037

>  <Name> (133)
Perifosine (KRX-0401)

>  <Synonyms> (133)
NSC639966, D21266

>  <Target> (133)
Akt

>  <Form> (133)
free base

>  <CAS> (133)
157716-52-4

>  <URL> (133)
http://selleckchem.com/products/Perifosine.html

$$$$
bms-707035.cdx
csChFnd80/04072409352D

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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
  7 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 23 18  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (137)
2396

>  <Formula> (137)
C25H19NO3S

>  <MolWeight> (137)
413.48826

>  <Cat> (137)
S2638

>  <Name> (137)
NU7441 (KU-57788)

>  <Synonyms> (137)
N/A

>  <Target> (137)
CRISPR/Cas9,DNA-PK,mTOR,PI3K

>  <Form> (137)
free base

>  <CAS> (137)
503468-95-9

>  <URL> (137)
http://selleckchem.com/products/nu7441.html

$$$$
ATP disodium salt.cdx
csChFnd80/04072409352D

 33 33  0  0  0  0  0  0  0  0999 V2000
    7.1324    6.5883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9998    5.7654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4324    4.4339    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8324    4.4339    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2650    5.7654    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5919    6.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6729    6.1965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6123    3.3052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6524    3.3052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8043    5.4965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0125    6.1941    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   13.2208    5.4965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4290    6.1941    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.3125    7.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125    7.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4290    7.5941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8290    6.1941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8539    8.9941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7913    4.8418    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    3.5403    5.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1287    5.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9824    4.2348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1150    3.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3939    3.9813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1269    4.8162    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.7270    4.8162    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  6  0  0  0
  2  7  1  6  0  0  0
  3  8  1  1  0  0  0
  4  9  1  1  0  0  0
  6 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
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 13 22  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26  7  1  0  0  0  0
 25 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 26  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (138)
2399

>  <Formula> (138)
C10H14N5Na2O13P3

>  <MolWeight> (138)
551.144683

>  <Cat> (138)
S1985

>  <Name> (138)
ATP disodium

>  <Synonyms> (138)
Adenosine-Triphosphate disodium, ATP disodium salt, Adenosine 5'-triphosphate

>  <Target> (138)
Others

>  <Form> (138)
Disodium Salt

>  <CAS> (138)
987-65-5

>  <URL> (138)
http://selleckchem.com/products/atp-Adenosine-Triphosphate.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/04072409352D

 36 37  0  0  0  0  0  0  0  0999 V2000
    3.6289   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3854    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2620    9.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6869    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    2.0927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.5703    6.2927    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1703    6.2927    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
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 24 25  1  0  0  0  0
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 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 26  1  0  0  0  0
 30 31  2  0  0  0  0
 28 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (139)
2404

>  <Formula> (139)
C23H14Na2O11

>  <MolWeight> (139)
512.3302

>  <Cat> (139)
S1911

>  <Name> (139)
Disodium Cromoglycate

>  <Synonyms> (139)
Gynazole ,FPL 670 (Cromolyn) Disodium,Cromolyn sodium

>  <Target> (139)
Calcium Channel

>  <Form> (139)
Disodium Salt

>  <CAS> (139)
15826-37-6

>  <URL> (139)
http://selleckchem.com/products/disodium-Cromoglycate.html

$$$$
SC79.cdx
csChFnd80/04072409352D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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
    3.6373    5.6000    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
    0.0000    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
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 11  5  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 16 24  1  0  0  0  0
 18 25  3  0  0  0  0
M  END
>  <Mol_ID> (140)
2433

>  <Formula> (140)
C17H17ClN2O5

>  <MolWeight> (140)
364.78028

>  <Cat> (140)
S7863

>  <Name> (140)
SC79

>  <Synonyms> (140)
N/A

>  <Target> (140)
Akt

>  <Form> (140)
free base

>  <CAS> (140)
305834-79-1

>  <URL> (140)
http://selleckchem.com/products/sc79.html

$$$$
PF-4989216.cdx
csChFnd80/04072409352D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.9599    7.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18  8  1  0  0  0  0
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 26 27  1  0  0  0  0
 27  6  1  0  0  0  0
M  END
>  <Mol_ID> (141)
2450

>  <Formula> (141)
C18H13FN6OS

>  <MolWeight> (141)
380.3988232

>  <Cat> (141)
S7675

>  <Name> (141)
PF-4989216

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N/A

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PI3K

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free base

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1276553-09-3

>  <URL> (141)
http://selleckchem.com/products/pf-4989216.html

$$$$
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csChFnd80/04072409352D

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2451

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C24H25F2N3O4

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AZD8186

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PI3K

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free base

>  <CAS> (142)
1627494-13-6

>  <URL> (142)
http://selleckchem.com/products/azd8186.html

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/04072409352D

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C5H6Na2O5

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Disodium (R)-2-Hydroxyglutarate

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D-¦Á-Hydroxyglutaric acid disodium

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ROS

>  <Form> (143)
disodium salt

>  <CAS> (143)
103404-90-6

>  <URL> (143)
http://selleckchem.com/products/disodium-r-2-hydroxyglutarate.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/04072409352D

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2468

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C24H28N8O2

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Taselisib (GDC 0032)

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RG7604

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PI3K

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free base

>  <CAS> (144)
1282512-48-4

>  <URL> (144)
http://selleckchem.com/products/gdc-0032.html

$$$$
AZD6738.cdx
csChFnd80/04072409352D

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Ceralasertib (AZD6738)

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ATM/ATR

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free base

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1352226-88-0

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ONC201.cdx
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>  <Mol_ID> (146)
2490

>  <Formula> (146)
C24H26N4O

>  <MolWeight> (146)
386.48944

>  <Cat> (146)
S7963

>  <Name> (146)
TIC10 (ONC201)

>  <Synonyms> (146)
ONC201

>  <Target> (146)
Akt,Apoptosis related,ERK,TNF-alpha

>  <Form> (146)
free base

>  <CAS> (146)
1616632-77-9

>  <URL> (146)
http://selleckchem.com/products/tic-10.html

$$$$
Akti-1.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (147)
2491

>  <Formula> (147)
C34H29N7O

>  <MolWeight> (147)
551.64036

>  <Cat> (147)
S7776

>  <Name> (147)
Akti-1/2

>  <Synonyms> (147)
Akt Inhibitor VIII

>  <Target> (147)
Akt,Apoptosis related

>  <Form> (147)
free base

>  <CAS> (147)
612847-09-3

>  <URL> (147)
http://selleckchem.com/products/akti-1-2.html

$$$$
BIO-acetoxime (GSK-3 Inhibitor X).cdx
csChFnd80/04072409352D

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>  <Mol_ID> (148)
2492

>  <Formula> (148)
C18H12BrN3O3

>  <MolWeight> (148)
398.21018

>  <Cat> (148)
S7915

>  <Name> (148)
BIO-acetoxime

>  <Synonyms> (148)
GSK-3 Inhibitor X

>  <Target> (148)
GSK-3

>  <Form> (148)
free base

>  <CAS> (148)
667463-85-6

>  <URL> (148)
http://selleckchem.com/products/bio-acetoxime.html

$$$$
AMG319.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (149)
2495

>  <Formula> (149)
C21H16FN7

>  <MolWeight> (149)
385.3970432

>  <Cat> (149)
S7813

>  <Name> (149)
AMG319

>  <Synonyms> (149)
N/A

>  <Target> (149)
PI3K

>  <Form> (149)
free base

>  <CAS> (149)
1608125-21-8

>  <URL> (149)
http://selleckchem.com/products/amg319.html

$$$$

csChFnd80/04072409352D

 78 85  0  0  0  0  0  0  0  0999 V2000
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Gypenoside

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N/A

>  <Target> (150)
Antioxidant

>  <CAS> (150)
15588-68-8

>  <URL> (150)
http://selleckchem.com/products/gypenoside.html

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BAY 1895344.cdx
csChFnd80/04072409352D

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Elimusertib (BAY-1895344) hydrochloride

>  <Synonyms> (151)
BAY-1895344 HCl

>  <Target> (151)
ATM/ATR

>  <Form> (151)
hydrochloride

>  <CAS> (151)
1876467-74-1(free base)

>  <URL> (151)
https://www.selleckchem.com/products/bay-1895344-hcl.html

$$$$
S3753 L-Leucine.cdx
csChFnd80/04072409352D

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L-Leucine

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(S)-Leucine, Leu

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mTOR

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free base

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61-90-5

>  <URL> (152)
http://selleckchem.com/products/l-leucine.html

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AZD1080.cdx
csChFnd80/04072409352D

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AZD1080

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GSK-3

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free base

>  <CAS> (153)
612487-72-6

>  <URL> (153)
http://selleckchem.com/products/azd1080.html

$$$$
SKI II (SphK-I2).cdx
csChFnd80/04072409352D

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C15H11ClN2OS

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SKI II

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SphK-I2

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SPHK

>  <Form> (154)
free base

>  <CAS> (154)
312636-16-1

>  <URL> (154)
http://selleckchem.com/products/ski-ii.html

$$$$
GSK2334470.cdx
csChFnd80/04072409352D

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2556

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C25H34N8O

>  <MolWeight> (155)
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GSK2334470

>  <Synonyms> (155)
N/A

>  <Target> (155)
PDPK1

>  <Form> (155)
free base

>  <CAS> (155)
1227911-45-6

>  <URL> (155)
http://selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (156)
2558

>  <Formula> (156)
C24H26N4O

>  <MolWeight> (156)
386.48944

>  <Cat> (156)
S7127

>  <Name> (156)
TIC10 Analogue

>  <Target> (156)
Akt

>  <Form> (156)
free base

>  <CAS> (156)
41276-02-2

>  <URL> (156)
http://selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/04072409352D

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>  <Mol_ID> (157)
2560

>  <Formula> (157)
C16H10BrN3O2

>  <MolWeight> (157)
356.1735

>  <Cat> (157)
S7198

>  <Name> (157)
BIO

>  <Synonyms> (157)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime, 6-Bromoindirubin-3'-oxime, MLS 2052

>  <Target> (157)
Apoptosis related,CDK,GSK-3,JAK

>  <Form> (157)
free base

>  <CAS> (157)
667463-62-9

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

$$$$
AZD2858.cdx
csChFnd80/04072409352D

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1159824-67-5

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http://selleckchem.com/products/czc24832.html

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ATM/ATR,mTOR

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free base

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1345675-02-6

>  <URL> (160)
http://selleckchem.com/products/etp-46464.html

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mTOR

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free base

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1251156-08-7

>  <URL> (161)
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$$$$
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M  END
>  <Mol_ID> (162)
2585

>  <Formula> (162)
C24H27Cl2N5O

>  <MolWeight> (162)
472.41008

>  <Cat> (162)
S7306

>  <Name> (162)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (162)
BML-275 2HCl,Compound C 2HCl

>  <Target> (162)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (162)
Dihydrochloride

>  <CAS> (162)
1219168-18-9

>  <URL> (162)
http://selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
WZ4003.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (163)
2666

>  <Formula> (163)
C25H29ClN6O3

>  <MolWeight> (163)
496.98916

>  <Cat> (163)
S7317

>  <Name> (163)
WZ4003

>  <Synonyms> (163)
N/A

>  <Target> (163)
AMPK

>  <Form> (163)
free base

>  <CAS> (163)
1214265-58-3

>  <URL> (163)
http://selleckchem.com/products/wz4003.html

$$$$
AZ20.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (164)
2676

>  <Formula> (164)
C21H24N4O3S

>  <MolWeight> (164)
412.50526

>  <Cat> (164)
S7050

>  <Name> (164)
AZ20

>  <Synonyms> (164)
N/A

>  <Target> (164)
ATM/ATR

>  <Form> (164)
free base

>  <CAS> (164)
1233339-22-4

>  <URL> (164)
http://selleckchem.com/products/az20.html

$$$$
VE-822.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (165)
2681

>  <Formula> (165)
C24H25N5O3S

>  <MolWeight> (165)
463.552

>  <Cat> (165)
S7102

>  <Name> (165)
Berzosertib (VE-822)

>  <Synonyms> (165)
VX970, M6620

>  <Target> (165)
ATM/ATR

>  <Form> (165)
free base

>  <CAS> (165)
1232416-25-9

>  <URL> (165)
http://selleckchem.com/products/ve-822.html

$$$$
LM-3228 AR-A014418.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (170)
2797

>  <Formula> (170)
C52H79N5O12

>  <MolWeight> (170)
966.20996

>  <Cat> (170)
S7091

>  <Name> (170)
Zotarolimus (ABT-578)

>  <Synonyms> (170)
A 179578

>  <Target> (170)
FKBP,mTOR

>  <Form> (170)
free base

>  <CAS> (170)
221877-54-9

>  <URL> (170)
http://selleckchem.com/products/zotarolimus-abt-578.html

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (171)
2803

>  <Formula> (171)
C19H17NO3

>  <MolWeight> (171)
307.34318

>  <Cat> (171)
S7310

>  <Name> (171)
SF1670

>  <Synonyms> (171)
N/A

>  <Target> (171)
PTEN

>  <Form> (171)
free base

>  <CAS> (171)
345630-40-2

>  <URL> (171)
http://selleckchem.com/products/sf1670.html

$$$$
IM-12.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (172)
2804

>  <Formula> (172)
C22H20FN3O2

>  <MolWeight> (172)
377.4115032

>  <Cat> (172)
S7566

>  <Name> (172)
IM-12

>  <Synonyms> (172)
N/A

>  <Target> (172)
GSK-3

>  <Form> (172)
free base

>  <CAS> (172)
1129669-05-1

>  <URL> (172)
http://selleckchem.com/products/im-12.html

$$$$
VS-5584 (SB2343).cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (173)
2850

>  <Formula> (173)
C17H22N8O

>  <MolWeight> (173)
354.40958

>  <Cat> (173)
S7016

>  <Name> (173)
VS-5584 (SB2343)

>  <Synonyms> (173)
N/A

>  <Target> (173)
PI3K

>  <Form> (173)
free base

>  <CAS> (173)
1246560-33-7

>  <URL> (173)
http://selleckchem.com/products/vs-5584-sb2343.html

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/04072409352D

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1369761-01-2

>  <URL> (174)
http://selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

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CRM1,ROS

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free base

>  <CAS> (175)
20069-09-4

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

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C17H16ClN3O

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313.78144

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AT13148

>  <Synonyms> (176)
N/A

>  <Target> (176)
Akt,PKA,ROCK,S6 Kinase

>  <Form> (176)
free base

>  <CAS> (176)
1056901-62-2

>  <URL> (176)
http://selleckchem.com/products/at13148.html

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S6 Kinase

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Free Base

>  <CAS> (177)
1082949-67-4

>  <URL> (177)
http://selleckchem.com/products/ly2584702.html

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free base

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188011-69-0

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

$$$$
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2918

>  <Formula> (180)
C28H27F4N7O3S

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>  <Name> (180)
LY2584702 Tosylate

>  <Synonyms> (180)
N/A

>  <Target> (180)
S6 Kinase

>  <Form> (180)
free base

>  <CAS> (180)
1082949-68-5

>  <URL> (180)
http://selleckchem.com/products/ly2584702-tosylate.html

$$$$
LY2090314.cdx
csChFnd80/04072409352D

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GSK-3

>  <Form> (181)
free base

>  <CAS> (181)
603288-22-8

>  <URL> (181)
http://selleckchem.com/products/ly2090314.html

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free base

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1026680-07-8

>  <URL> (182)
http://selleckchem.com/products/lb-100.html

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free base

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326914-06-1

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330161-87-0

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>  <Mol_ID> (187)
2973

>  <Formula> (187)
C25H25ClN6O4S

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Pilaralisib (XL147)

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N/A

>  <Target> (187)
PI3K

>  <Form> (187)
free base

>  <CAS> (187)
934526-89-3

>  <URL> (187)
http://selleckchem.com/products/pilaralisib-xl147.html

$$$$
HTH-01-015.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (188)
2982

>  <Formula> (188)
C26H28N8O

>  <MolWeight> (188)
468.55352

>  <Cat> (188)
S7318

>  <Name> (188)
HTH-01-015

>  <Synonyms> (188)
N/A

>  <Target> (188)
AMPK

>  <Form> (188)
free base

>  <CAS> (188)
1613724-42-7

>  <URL> (188)
http://selleckchem.com/products/hth-01-015.html

$$$$
Dorsomorphin.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (189)
2988

>  <Formula> (189)
C24H25N5O

>  <MolWeight> (189)
399.4882

>  <Cat> (189)
S7840

>  <Name> (189)
Dorsomorphin (Compound C)

>  <Synonyms> (189)
BML-275,Compound C

>  <Target> (189)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (189)
Free Base

>  <CAS> (189)
866405-64-3

>  <URL> (189)
http://selleckchem.com/products/dorsomorphin.html

$$$$
GSK621.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (190)
3007

>  <Formula> (190)
C26H20ClN3O5

>  <MolWeight> (190)
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>  <Cat> (190)
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>  <Name> (190)
GSK621

>  <Synonyms> (190)
N/A

>  <Target> (190)
AMPK

>  <Form> (190)
free base

>  <CAS> (190)
1346607-05-3

>  <URL> (190)
http://selleckchem.com/products/gsk621.html

$$$$
Voxtalisib (XL765, SAR245409).cdx
csChFnd80/04072409352D

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>  <Formula> (196)
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>  <MolWeight> (196)
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>  <Cat> (196)
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>  <Name> (196)
Uprosertib (GSK2141795)

>  <Synonyms> (196)
GSK795

>  <Target> (196)
Akt

>  <Form> (196)
free base

>  <CAS> (196)
1047634-65-0

>  <URL> (196)
http://selleckchem.com/products/gsk2141795.html

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csChFnd80/04072409352D

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3069

>  <Formula> (197)
C24H27N7O

>  <MolWeight> (197)
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ON123300

>  <Synonyms> (197)
N/A

>  <Target> (197)
AMPK,CDK,c-RET,FGFR,PDGFR,Src

>  <Form> (197)
free base

>  <CAS> (197)
1357470-29-1

>  <URL> (197)
http://selleckchem.com/products/on123300.html

$$$$
VPS34-IN1.cdx
csChFnd80/04072409352D

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3072

>  <Formula> (198)
C21H24ClN7O

>  <MolWeight> (198)
425.91456

>  <Cat> (198)
S7980

>  <Name> (198)
VPS34-IN1

>  <Synonyms> (198)
Vps34-IN-1

>  <Target> (198)
Autophagy,PI3K

>  <Form> (198)
free base

>  <CAS> (198)
1383716-33-3

>  <URL> (198)
http://selleckchem.com/products/vps34-in1.html

$$$$
Kenpaullone.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (199)
3075

>  <Formula> (199)
C16H11BrN2O

>  <MolWeight> (199)
327.17534

>  <Cat> (199)
S7917

>  <Name> (199)
Kenpaullone

>  <Synonyms> (199)
9-Bromopaullone, NSC-664704

>  <Target> (199)
CDK

>  <Form> (199)
free base

>  <CAS> (199)
142273-20-9

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

$$$$
PIK-III.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (200)
3090

>  <Formula> (200)
C17H17N7

>  <MolWeight> (200)
319.36378

>  <Cat> (200)
S7683

>  <Name> (200)
PIK-III

>  <Synonyms> (200)
VPS34-IN2

>  <Target> (200)
Autophagy,LC3,PI3K

>  <Form> (200)
free base

>  <CAS> (200)
1383716-40-2

>  <URL> (200)
http://selleckchem.com/products/pik-iii.html

$$$$
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csChFnd80/04072409352D

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M  END
>  <Mol_ID> (201)
3100

>  <Formula> (201)
C19H36O5

>  <MolWeight> (201)
344.48614

>  <Cat> (201)
S7953

>  <Name> (201)
ETC-1002

>  <Synonyms> (201)
Bempedoic acid, ESP-55016

>  <Target> (201)
AMPK,ATP-citrate lyase,LDL

>  <Form> (201)
free base

>  <CAS> (201)
738606-46-7

>  <URL> (201)
http://selleckchem.com/products/etc-1002.html

$$$$
Pluripotin (SC1).cdx
csChFnd80/04072409352D

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>  <Mol_ID> (202)
3101

>  <Formula> (202)
C27H25F3N8O2

>  <MolWeight> (202)
550.5350096

>  <Cat> (202)
S7752

>  <Name> (202)
Pluripotin (SC1)

>  <Synonyms> (202)
N/A

>  <Target> (202)
ERK,S6 Kinase

>  <Form> (202)
free base

>  <CAS> (202)
839707-37-8

>  <URL> (202)
http://selleckchem.com/products/pluripotin-sc1.html

$$$$
SBI-0640756.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (203)
3113

>  <Formula> (203)
C23H14ClFN2O2

>  <MolWeight> (203)
404.8208632

>  <Cat> (203)
S8181

>  <Name> (203)
SBI-0640756

>  <Synonyms> (203)
N/A

>  <Target> (203)
eIF

>  <Form> (203)
free base

>  <CAS> (203)
1821280-29-8

>  <URL> (203)
http://selleckchem.com/products/sbi-0640756.html

$$$$
GSK2292767.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (204)
3130

>  <Formula> (204)
C24H28N6O5S

>  <MolWeight> (204)
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>  <Cat> (204)
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>  <Name> (204)
GSK2292767

>  <Synonyms> (204)
N/A

>  <Target> (204)
PI3K

>  <Form> (204)
free base

>  <CAS> (204)
1254036-66-2

>  <URL> (204)
http://selleckchem.com/products/gsk2292767.html

$$$$
IQ-1.cdx
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M  END
>  <Mol_ID> (205)
3150

>  <Formula> (205)
C21H22N4O2

>  <MolWeight> (205)
362.42498

>  <Cat> (205)
S8248

>  <Name> (205)
IQ-1

>  <Synonyms> (205)
N/A

>  <Target> (205)
PP2A,Wnt/beta-catenin

>  <Form> (205)
free base

>  <CAS> (205)
331001-62-8

>  <URL> (205)
http://selleckchem.com/products/iq-1.html

$$$$
LY3023414.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (206)
3168

>  <Formula> (206)
C23H26N4O3

>  <MolWeight> (206)
406.47754

>  <Cat> (206)
S8322

>  <Name> (206)
Samotolisib (LY3023414)

>  <Synonyms> (206)
GTPL8918

>  <Target> (206)
DNA-PK,mTOR,PI3K

>  <Form> (206)
free base

>  <CAS> (206)
1386874-06-1

>  <URL> (206)
http://selleckchem.com/products/ly3023414.html

$$$$
VO-Ohpic.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (207)
3186

>  <Formula> (207)
C12H15N2O11V

>  <MolWeight> (207)
414.1958

>  <Cat> (207)
S8174

>  <Name> (207)
VO-Ohpic trihydrate

>  <Synonyms> (207)
N/A

>  <Target> (207)
PTEN

>  <Form> (207)
trihydrate

>  <CAS> (207)
476310-60-8

>  <URL> (207)
http://selleckchem.com/products/vo-ohpic.html

$$$$
AZD8835.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (208)
3196

>  <Formula> (208)
C22H31N9O3

>  <MolWeight> (208)
469.54004

>  <Cat> (208)
S7966

>  <Name> (208)
AZD8835

>  <Synonyms> (208)
N/A

>  <Target> (208)
PI3K

>  <Form> (208)
free base

>  <CAS> (208)
1620576-64-8

>  <URL> (208)
http://selleckchem.com/products/azd8835.html

$$$$
Deguelin.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (209)
3210

>  <Formula> (209)
C23H22O6

>  <MolWeight> (209)
394.41718

>  <Cat> (209)
S8132

>  <Name> (209)
Deguelin

>  <Synonyms> (209)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (209)
Akt,PI3K

>  <Form> (209)
free base

>  <CAS> (209)
522-17-8

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

$$$$
GDC-0084.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (210)
3247

>  <Formula> (210)
C18H22N8O2

>  <MolWeight> (210)
382.41968

>  <Cat> (210)
S8163

>  <Name> (210)
Paxalisib (GDC-0084)

>  <Synonyms> (210)
RG7666

>  <Target> (210)
mTOR,PI3K

>  <Form> (210)
free base

>  <CAS> (210)
1382979-44-3

>  <URL> (210)
http://selleckchem.com/products/gdc-0084.html

$$$$
CC-115.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (211)
3254

>  <Formula> (211)
C16H16N8O

>  <MolWeight> (211)
336.35124

>  <Cat> (211)
S7891

>  <Name> (211)
CC-115

>  <Synonyms> (211)
N/A

>  <Target> (211)
DNA-PK,mTOR

>  <Form> (211)
free base

>  <CAS> (211)
1228013-15-7

>  <URL> (211)
http://selleckchem.com/products/cc-115.html

$$$$
CZ415.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (212)
3255

>  <Formula> (212)
C22H29N5O4S

>  <MolWeight> (212)
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>  <Cat> (212)
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>  <Name> (212)
CZ415

>  <Synonyms> (212)
N/A

>  <Target> (212)
mTOR

>  <Form> (212)
free base

>  <CAS> (212)
1429639-50-8

>  <URL> (212)
http://selleckchem.com/products/cz415.html

$$$$
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M  END
>  <Mol_ID> (213)
3267

>  <Formula> (213)
C19H10N2O3

>  <MolWeight> (213)
314.2943

>  <Cat> (213)
S8274

>  <Name> (213)
STO-609

>  <Synonyms> (213)
N/A

>  <Target> (213)
AMPK,Autophagy,CaMK

>  <Form> (213)
free base

>  <CAS> (213)
52029-86-4

>  <URL> (213)
http://selleckchem.com/products/sto-609.html

$$$$
GSK2269557.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (214)
3273

>  <Formula> (214)
C26H28N6O

>  <MolWeight> (214)
440.54012

>  <Cat> (214)
S7937

>  <Name> (214)
Nemiralisib

>  <Synonyms> (214)
GSK2269557

>  <Target> (214)
PI3K

>  <Form> (214)
free base

>  <CAS> (214)
1254036-71-9

>  <URL> (214)
http://selleckchem.com/products/gsk2269557.html

$$$$
ARQ 092.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (215)
3285

>  <Formula> (215)
C27H25ClN6

>  <MolWeight> (215)
468.9806

>  <Cat> (215)
S8339

>  <Name> (215)
Miransertib (ARQ 092) HCl

>  <Synonyms> (215)
Miransertib

>  <Target> (215)
Akt

>  <Form> (215)
hydrochloride

>  <CAS> (215)
1313883-00-9

>  <URL> (215)
http://selleckchem.com/products/arq-092.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/04072409352D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (216)
3287

>  <Formula> (216)
C21H25N7O

>  <MolWeight> (216)
391.4695

>  <Cat> (216)
S8456

>  <Name> (216)
VPS34 inhibitor 1 (Compound 19)

>  <Synonyms> (216)
PIK-III analogue

>  <Target> (216)
PI3K

>  <Form> (216)
free base

>  <CAS> (216)
1383716-46-8

>  <URL> (216)
http://selleckchem.com/products/vps34-inhibitor-1.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/04072409352D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 13  8  2  0  0  0  0
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M  END
>  <Mol_ID> (217)
3313

>  <Formula> (217)
C19H15N3O2

>  <MolWeight> (217)
317.3413

>  <Cat> (217)
S7954

>  <Name> (217)
CP21R7 (CP21)

>  <Synonyms> (217)
N/A

>  <Target> (217)
GSK-3,Wnt/beta-catenin

>  <Form> (217)
free base

>  <CAS> (217)
125314-13-8

>  <URL> (217)
http://selleckchem.com/products/cp21r7-cp21.html

$$$$
TGR-1202.cdx
csChFnd80/04072409352D

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1943733-16-1

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M  END
>  <Mol_ID> (221)
3358

>  <Formula> (221)
C22H19F4N7O

>  <MolWeight> (221)
473.4261728

>  <Cat> (221)
S8518

>  <Name> (221)
AD80

>  <Synonyms> (221)
N/A

>  <Target> (221)
c-RET,S6 Kinase,Src

>  <Form> (221)
free base

>  <CAS> (221)
1384071-99-1

>  <URL> (221)
http://selleckchem.com/products/ad80.html

$$$$
GDC-0326.cdx
csChFnd80/04072409352D

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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (222)
3362

>  <Formula> (222)
C19H22N6O3

>  <MolWeight> (222)
382.41638

>  <Cat> (222)
S8157

>  <Name> (222)
GDC-0326

>  <Synonyms> (222)
N/A

>  <Target> (222)
PI3K

>  <Form> (222)
free base

>  <CAS> (222)
1282514-88-8

>  <URL> (222)
http://selleckchem.com/products/gdc-0326.html

$$$$
3BDO.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (223)
3370

>  <Formula> (223)
C18H17NO5

>  <MolWeight> (223)
327.33128

>  <Cat> (223)
S8317

>  <Name> (223)
3BDO

>  <Synonyms> (223)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (223)
Apoptosis related,Autophagy,FKBP,mTOR

>  <Form> (223)
free base

>  <CAS> (223)
890405-51-3

>  <URL> (223)
http://selleckchem.com/products/3bdo.html

$$$$
SF2523.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (224)
3375

>  <Formula> (224)
C19H17NO5S

>  <MolWeight> (224)
371.40698

>  <Cat> (224)
S8589

>  <Name> (224)
SF2523

>  <Synonyms> (224)
N/A

>  <Target> (224)
DNA-PK,Epigenetic Reader Domain,mTOR,PI3K

>  <Form> (224)
free base

>  <CAS> (224)
1174428-47-7

>  <URL> (224)
http://selleckchem.com/products/sf2523.html

$$$$
IPI-549.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (225)
3376

>  <Formula> (225)
C30H24N8O2

>  <MolWeight> (225)
528.56396

>  <Cat> (225)
S8330

>  <Name> (225)
Eganelisib (IPI-549)

>  <Synonyms> (225)
N/A

>  <Target> (225)
PI3K

>  <Form> (225)
free base

>  <CAS> (225)
1693758-51-8

>  <URL> (225)
http://selleckchem.com/products/ipi-549.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (226)
3388

>  <Formula> (226)
C19H17N5O3

>  <MolWeight> (226)
363.36998

>  <Cat> (226)
S8581

>  <Name> (226)
Serabelisib (TAK-117)

>  <Synonyms> (226)
INK-1117, MLN-1117

>  <Target> (226)
PI3K

>  <Form> (226)
free base

>  <CAS> (226)
1268454-23-4

>  <URL> (226)
http://selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Autophinib.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (227)
3393

>  <Formula> (227)
C14H11ClN6O3

>  <MolWeight> (227)
346.72854

>  <Cat> (227)
S8596

>  <Name> (227)
Autophinib

>  <Synonyms> (227)
N/A

>  <Target> (227)
Autophagy,PI3K

>  <Form> (227)
free base

>  <CAS> (227)
1644443-47-9

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

$$$$
PF-06409577.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (228)
3416

>  <Formula> (228)
C19H16ClNO3

>  <MolWeight> (228)
341.78824

>  <Cat> (228)
S8335

>  <Name> (228)
PF-06409577

>  <Synonyms> (228)
N/A

>  <Target> (228)
AMPK

>  <Form> (228)
free base

>  <CAS> (228)
1467057-23-3

>  <URL> (228)
http://selleckchem.com/products/pf-06409577.html

$$$$
FM-381.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (229)
3440

>  <Formula> (229)
C24H24N6O2

>  <MolWeight> (229)
428.48636

>  <Cat> (229)
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>  <Name> (229)
FM-381

>  <Synonyms> (229)
N/A

>  <Target> (229)
JAK

>  <Form> (229)
free base

>  <CAS> (229)
2226521-65-7

>  <URL> (229)
http://selleckchem.com/products/fm-381.html

$$$$
S3614 Lupeol.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (230)
3444

>  <Formula> (230)
C30H50O

>  <MolWeight> (230)
426.7174

>  <Cat> (230)
S3614

>  <Name> (230)
Lupeol

>  <Synonyms> (230)
(3¦Â,13¦Î)-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol

>  <Target> (230)
Immunology & Inflammation related

>  <Form> (230)
free base

>  <CAS> (230)
545-47-1

>  <URL> (230)
http://selleckchem.com/products/lupeol.html

$$$$
S5144 Neferine.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (231)
3464

>  <Formula> (231)
C38H44N2O6

>  <MolWeight> (231)
624.76576

>  <Cat> (231)
S5144

>  <Name> (231)
Neferine

>  <Synonyms> (231)
(R)-1,2-Dimethoxyaporphine

>  <Target> (231)
Akt,Apoptosis related,Autophagy,HIV,NF-¦ÊB,Nrf2

>  <Form> (231)
free base

>  <CAS> (231)
2292-16-2

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

$$$$
IPI-3063.cdx
csChFnd80/04072409352D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (232)
3487

>  <Formula> (232)
C25H25N7O2

>  <MolWeight> (232)
455.5117

>  <Cat> (232)
S7335

>  <Name> (232)
IPI-3063

>  <Synonyms> (232)
N/A

>  <Target> (232)
PI3K

>  <Form> (232)
free base

>  <CAS> (232)
1425043-73-7

>  <URL> (232)
http://selleckchem.com/products/ipi-3063.html

$$$$
2-D08.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (233)
3527

>  <Formula> (233)
C15H10O5

>  <MolWeight> (233)
270.2369

>  <Cat> (233)
S8696

>  <Name> (233)
2-D08

>  <Synonyms> (233)
2',3',4'-trihydroxy flavone

>  <Target> (233)
SUMO

>  <Form> (233)
free base

>  <CAS> (233)
144707-18-6

>  <URL> (233)
http://selleckchem.com/products/2-d08.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (234)
3600

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C23H18FN5O2

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415.4197232

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S8672

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Tenalisib (RP6530)

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N/A

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PI3K

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free base

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1639417-53-0

>  <URL> (234)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
Cu-CPT22.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (235)
3629

>  <Formula> (235)
C19H22O7

>  <MolWeight> (235)
362.37378

>  <Cat> (235)
S8677

>  <Name> (235)
Cu-CPT22

>  <Synonyms> (235)
N/A

>  <Target> (235)
TLR

>  <Form> (235)
free base

>  <CAS> (235)
1416324-85-0

>  <URL> (235)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/04072409352D

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M  END
>  <Mol_ID> (236)
3653

>  <Formula> (236)
C10H16N5O8P

>  <MolWeight> (236)
365.236501

>  <Cat> (236)
S5284

>  <Name> (236)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (236)
5'-Adenylic acid, 5'-AMP

>  <Target> (236)
AMPK

>  <Form> (236)
hydrate

>  <CAS> (236)
18422-05-4

>  <URL> (236)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5313 SC66.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (237)
3674

>  <Formula> (237)
C18H16N2O

>  <MolWeight> (237)
276.33244

>  <Cat> (237)
S5313

>  <Name> (237)
SC66

>  <Synonyms> (237)
N/A

>  <Target> (237)
Akt

>  <Form> (237)
free base

>  <CAS> (237)
871361-88-5

>  <URL> (237)
http://selleckchem.com/products/sc66.html

$$$$
AZD1390.cdx
csChFnd80/04072409352D

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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 13 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 24 29  2  0  0  0  0
 23 30  1  0  0  0  0
 11 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 11  1  0  0  0  0
M  END
>  <Mol_ID> (238)
3680

>  <Formula> (238)
C27H32FN5O2

>  <MolWeight> (238)
477.5736832

>  <Cat> (238)
S8680

>  <Name> (238)
AZD1390

>  <Synonyms> (238)
N/A

>  <Target> (238)
ATM/ATR

>  <Form> (238)
free base

>  <CAS> (238)
2089288-03-7

>  <URL> (238)
http://selleckchem.com/products/azd1390.html

$$$$
bpV (HOpic).cdx
csChFnd80/04072409352D

 18 19  0  0  0  0  0  0  0  0999 V2000
   13.5013    3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5013    1.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7137    1.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9261    1.7523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9261    3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7137    3.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2576    1.3197    0.0000 V   0  1  0  0  0  0  0  0  0  0  0  0
   18.0805    2.4523    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.2576    3.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    4.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5740    1.2170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (239)
3731

>  <Formula> (239)
C6H4K2NO8V

>  <MolWeight> (239)
347.23596

>  <Cat> (239)
S8651

>  <Name> (239)
bpV (HOpic)

>  <Synonyms> (239)
Bisperoxovanadium (HOpic)

>  <Target> (239)
PTEN

>  <Form> (239)
potassium

>  <CAS> (239)
722494-26-0

>  <URL> (239)
http://selleckchem.com/products/bpv-hopic.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/04072409352D

 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> (240)
3739

>  <Formula> (240)
C21H28O2

>  <MolWeight> (240)
312.44582

>  <Cat> (240)
S3792

>  <Name> (240)
Guggulsterone E&Z

>  <Synonyms> (240)
N/A

>  <Target> (240)
FXR

>  <Form> (240)
free base

>  <CAS> (240)
95975-55-6

>  <URL> (240)
http://selleckchem.com/products/guggulsterone.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/04072409352D

 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> (241)
3793

>  <Formula> (241)
C22H42O2

>  <MolWeight> (241)
338.56768

>  <Cat> (241)
S5383

>  <Name> (241)
Erucic acid

>  <Synonyms> (241)
cis-13-docosenoic acid

>  <Target> (241)
PI3K

>  <Form> (241)
free base

>  <CAS> (241)
112-86-7

>  <URL> (241)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/04072409352D

 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> (242)
3816

>  <Formula> (242)
C8H6BrN

>  <MolWeight> (242)
196.04394

>  <Cat> (242)
S5439

>  <Name> (242)
5-Bromoindole

>  <Synonyms> (242)
N/A

>  <Target> (242)
GSK-3

>  <Form> (242)
free base

>  <CAS> (242)
10075-50-0

>  <URL> (242)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/04072409352D

 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> (243)
3826

>  <Formula> (243)
C20H20O4

>  <MolWeight> (243)
324.3704

>  <Cat> (243)
S5456

>  <Name> (243)
Isobavachalcone

>  <Synonyms> (243)
Corylifolinin

>  <Target> (243)
Bacterial

>  <Form> (243)
free base

>  <CAS> (243)
20784-50-3

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

$$$$
S5554 Lanatoside C.cdx
csChFnd80/04072409352D

 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
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   10.7746    2.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (244)
3872

>  <Formula> (244)
C49H76O20

>  <MolWeight> (244)
985.11574

>  <Cat> (244)
S5554

>  <Name> (244)
Lanatoside C

>  <Synonyms> (244)
N/A

>  <Target> (244)
Akt,Antiviral,Apoptosis related,Autophagy,JAK,mTOR,PI3K,STAT,Wnt/beta-catenin

>  <Form> (244)
free base

>  <CAS> (244)
17575-22-3

>  <URL> (244)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5265 TBB.cdx
csChFnd80/04072409352D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (245)
3927

>  <Formula> (245)
C6HBr4N3

>  <MolWeight> (245)
434.70824

>  <Cat> (245)
S5265

>  <Name> (245)
TBB

>  <Synonyms> (245)
4,5,6,7-tetrabromobenzotriazole

>  <Target> (245)
Casein Kinase

>  <CAS> (245)
17374-26-4

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

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/04072409352D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (246)
3981

>  <Formula> (246)
C9H10O5

>  <MolWeight> (246)
198.1727

>  <Cat> (246)
S5550

>  <Name> (246)
Ethyl gallate

>  <Synonyms> (246)
Phyllemblin, gallic acid ethyl ester

>  <Target> (246)
Bcl-2,Caspase

>  <CAS> (246)
831-61-8

>  <URL> (246)
https://www.selleckchem.com/products/ethyl-gallate.html

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/04072409352D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (247)
4018

>  <Formula> (247)
C15H24N2O2

>  <MolWeight> (247)
264.36326

>  <Cat> (247)
S9384

>  <Name> (247)
Sophocarpine Monohydrate

>  <Target> (247)
Immunology & Inflammation related

>  <Form> (247)
free base

>  <CAS> (247)
145572-44-7

>  <URL> (247)
https://www.selleckchem.com/products/sophocarpine-monohydrate.html

$$$$
S9413 Yangonin.cdx
csChFnd80/04072409352D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    6.0625    2.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125    2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125    4.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7  8  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (248)
4040

>  <Formula> (248)
C15H14O4

>  <MolWeight> (248)
258.26926

>  <Cat> (248)
S9413

>  <Name> (248)
Yangonin

>  <Synonyms> (248)
Y100550

>  <Target> (248)
Cannabinoid Receptor,Fungal

>  <Form> (248)
free base

>  <CAS> (248)
500-62-9

>  <URL> (248)
https://www.selleckchem.com/products/yangonin.html

$$$$
S9417 Homoplantaginin.cdx
csChFnd80/04072409352D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.4869    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2123    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.6002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    8.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4248    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  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  4  2  0  0  0  0
  7  5  2  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
  9 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
  1 14  1  0  0  0  0
 10 21  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  1  0  0  0
 32 33  1  0  0  0  0
 23 31  1  0  0  0  0
 23 22  1  1  0  0  0
  8 22  1  0  0  0  0
M  END
>  <Mol_ID> (249)
4043

>  <Formula> (249)
C22H22O11

>  <MolWeight> (249)
462.40348

>  <Cat> (249)
S9417

>  <Name> (249)
Homoplantaginin

>  <Synonyms> (249)
Hispidulin-7-glucoside

>  <Target> (249)
Immunology & Inflammation related,Interleukins,I¦ÊB/IKK,NF-¦ÊB,TNF-alpha

>  <Form> (249)
free base

>  <CAS> (249)
17680-84-1

>  <URL> (249)
https://www.selleckchem.com/products/homoplantaginin.html

$$$$
S9438 Isosakuranetin.cdx
csChFnd80/04072409352D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  6  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (250)
4061

>  <Formula> (250)
C16H14O5

>  <MolWeight> (250)
286.27936

>  <Cat> (250)
S9438

>  <Name> (250)
Isosakuranetin

>  <Synonyms> (250)
4'-Methylnaringenin

>  <Target> (250)
Others

>  <Form> (250)
free base

>  <CAS> (250)
480-43-3

>  <URL> (250)
https://www.selleckchem.com/products/isosakuranetin.html

$$$$

csChFnd80/04072409352D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  1  0  0  0
 17 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 17  1  0  0  0  0
 11 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 11  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (251)
4138

>  <Formula> (251)
C24H28N4O3

>  <MolWeight> (251)
420.50412

>  <Cat> (251)
S8556

>  <Name> (251)
AZ31

>  <Synonyms> (251)
N/A

>  <Target> (251)
ATM/ATR

>  <Form> (251)
Free Base

>  <CAS> (251)
2088113-98-6

>  <URL> (251)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/04072409352D

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.6622    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 21  1  0  0  0  0
 12 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 12  1  0  0  0  0
 30 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (252)
4139

>  <Formula> (252)
C23H14ClF3N6O

>  <MolWeight> (252)
482.8450696

>  <Cat> (252)
S8560

>  <Name> (252)
Seletalisib (UCB-5857)

>  <Synonyms> (252)
N/A

>  <Target> (252)
PI3K

>  <Form> (252)
Free Base

>  <CAS> (252)
1362850-20-1

>  <URL> (252)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/04072409352D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5480    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3709    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5480    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7709    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4709    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8709    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8709    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4709    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5709    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    5.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 12 31  1  0  0  0  0
M  END
>  <Mol_ID> (253)
4143

>  <Formula> (253)
C24H18ClN3O3

>  <MolWeight> (253)
431.87102

>  <Cat> (253)
S8654

>  <Name> (253)
ex229 (compound 991)

>  <Synonyms> (253)
N/A

>  <Target> (253)
AMPK

>  <Form> (253)
Free Base

>  <CAS> (253)
1219739-36-2

>  <URL> (253)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/04072409352D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1957    4.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6915    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3221    6.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8895    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1242    7.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4936    8.1496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1874    8.8989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9262    9.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (254)
4150

>  <Formula> (254)
C20H16N4O

>  <MolWeight> (254)
328.36724

>  <Cat> (254)
S8729

>  <Name> (254)
AZ32

>  <Synonyms> (254)
N/A

>  <Target> (254)
ATM/ATR

>  <Form> (254)
Free Base

>  <CAS> (254)
2288709-96-4

>  <URL> (254)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/04072409352D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 N   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
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    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0870    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  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
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  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
 23 24  1  0  0  0  0
 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
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (255)
4152

>  <Formula> (255)
C17H20F3N7O2

>  <MolWeight> (255)
411.3816096

>  <Cat> (255)
S8738

>  <Name> (255)
Bimiralisib (PQR309)

>  <Synonyms> (255)
N/A

>  <Target> (255)
mTOR,PI3K

>  <Form> (255)
Free Base

>  <CAS> (255)
1225037-39-7

>  <URL> (255)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/04072409352D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4938    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4938    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7062    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9187    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9187    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7062    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1311    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3435    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5560    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3435    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9808    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9808    1.6834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1272    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4966    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5889    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 14 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  2 28  1  0  0  0  0
 28 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
M  END
>  <Mol_ID> (256)
4158

>  <Formula> (256)
C21H25F3N6O2

>  <MolWeight> (256)
450.4574096

>  <Cat> (256)
S8752

>  <Name> (256)
leniolisib (CDZ 173)

>  <Synonyms> (256)
N/A

>  <Target> (256)
PI3K

>  <Form> (256)
Free Base

>  <CAS> (256)
1354690-24-6

>  <URL> (256)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/04072409352D

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    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
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   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (257)
4160

>  <Formula> (257)
C23H24ClF2NO3

>  <MolWeight> (257)
435.8913664

>  <Cat> (257)
S8756

>  <Name> (257)
XRK3F2

>  <Synonyms> (257)
N/A

>  <Target> (257)
Others,RUNX

>  <Form> (257)
Free Base

>  <CAS> (257)
2375193-43-2

>  <URL> (257)
http://www.selleckchem.com/products/xrk3f2.html

$$$$

csChFnd80/04072409352D

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   11.5904    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2277    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8650    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16  9  1  0  0  0  0
 11 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 21 11  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26  7  1  0  0  0  0
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 35 30  1  0  0  0  0
 14 36  1  0  0  0  0
M  END
>  <Mol_ID> (258)
4165

>  <Formula> (258)
C26H23FN8O

>  <MolWeight> (258)
482.5122232

>  <Cat> (258)
S8764

>  <Name> (258)
IITZ-01

>  <Synonyms> (258)
N/A

>  <Target> (258)
Autophagy

>  <Form> (258)
Free Base

>  <CAS> (258)
1807988-47-1

>  <URL> (258)
http://www.selleckchem.com/products/iitz-01.html

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/04072409352D

 46 50  0  0  0  0  0  0  0  0999 V2000
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   10.9159    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4879    4.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9159    5.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9159    8.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4945    8.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3438    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7717    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9824    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  1  7  1  0  0  0  0
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 13  9  1  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (259)
4179

>  <Formula> (259)
C38H46O8

>  <MolWeight> (259)
630.76704

>  <Cat> (259)
S9031

>  <Name> (259)
Gambogenic acid

>  <Target> (259)
EZH1/2,FGFR

>  <Form> (259)
free base

>  <CAS> (259)
173932-75-7

>  <URL> (259)
https://www.selleckchem.com/products/gambogenic-acid.html

$$$$
S9061 Hydroxy safflor yellow A.cdx
csChFnd80/04072409352D

 43 46  0  0  0  0  0  0  0  0999 V2000
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   13.3320    4.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    5.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4885    8.9738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0627    7.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0636    8.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    8.9771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3 43  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 43  1  0  0  0  0
 11 12  2  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  1  0  0  0
 16 17  1  6  0  0  0
 16 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 41  1  0  0  0  0
 30 31  1  0  0  0  0
 30 40  2  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
 33 39  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  2  0  0  0  0
 41 42  2  0  0  0  0
M  END
>  <Mol_ID> (260)
4198

>  <Formula> (260)
C27H32O16

>  <MolWeight> (260)
612.53338

>  <Cat> (260)
S9061

>  <Name> (260)
Hydroxy safflor yellow A

>  <Synonyms> (260)
2, 4-Di-b-D-glucopyranosyl-3, 4, 5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl-1-oxo-2-propen-1-yl)-2, 5-cyclohexadien-1-one; Safflomin A

>  <Target> (260)
Immunology & Inflammation related

>  <Form> (260)
free base

>  <CAS> (260)
78281-02-4

>  <URL> (260)
https://www.selleckchem.com/products/hydroxy-safflor-yellow-a.html

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/04072409352D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    5.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  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
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  8 13  1  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
  1 22  1  0  0  0  0
  6 23  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (261)
4216

>  <Formula> (261)
C21H20O6

>  <MolWeight> (261)
368.3799

>  <Cat> (261)
S9080

>  <Name> (261)
Anhydroicaritin

>  <Synonyms> (261)
Cycloicaritin

>  <Target> (261)
Others

>  <Form> (261)
free base

>  <CAS> (261)
118525-40-9

>  <URL> (261)
https://www.selleckchem.com/products/anhydroicaritin.html

$$$$
S9092 Norisoboldine.cdx
csChFnd80/04072409352D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.8494    2.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    3.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8317    1.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2564    1.3999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0882    4.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4952    3.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3093    5.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0352    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5128    4.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6106    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4599    0.6847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4070    1.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8846    5.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3270    6.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6811    1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859    0.7763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2212    3.5761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6987    2.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5481    7.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2387    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  8  1  1  0  0  0  0
  3  2  1  0  0  0  0
  6  2  2  0  0  0  0
  5  3  1  0  0  0  0
  7  3  2  0  0  0  0
 10  4  1  0  0  0  0
 12  4  1  0  0  0  0
 14  5  1  0  0  0  0
  5 24  1  6  0  0  0
 10  5  1  0  0  0  0
  9  6  1  0  0  0  0
 16  6  1  0  0  0  0
 21  7  1  0  0  0  0
 11  7  1  0  0  0  0
 13  8  2  0  0  0  0
 11  9  2  0  0  0  0
 17  9  1  0  0  0  0
 15 12  2  0  0  0  0
 15 13  1  0  0  0  0
 20 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 22 17  1  0  0  0  0
 18 21  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (262)
4228

>  <Formula> (262)
C18H19NO4

>  <MolWeight> (262)
313.34776

>  <Cat> (262)
S9092

>  <Name> (262)
Norisoboldine

>  <Synonyms> (262)
Laurelliptine

>  <Target> (262)
AhR

>  <Form> (262)
free base

>  <CAS> (262)
23599-69-1

>  <URL> (262)
https://www.selleckchem.com/products/norisoboldine.html

$$$$
S9093 Nardosinone.cdx
csChFnd80/04072409352D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.3109    5.7090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8830    4.4304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8406    3.4939    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6360    4.1893    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9221    5.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8406    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4265    2.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    1.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077    4.1887    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4206    3.4887    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6354    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    5.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4206    4.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    2.7893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8406    4.8939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7097    6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9221    6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
  3  6  1  0  0  0  0
  4 13  1  0  0  0  0
  7 14  2  0  0  0  0
 12 15  1  1  0  0  0
 13 16  1  1  0  0  0
  4 17  1  1  0  0  0
  3 18  1  1  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
M  END
>  <Mol_ID> (263)
4229

>  <Formula> (263)
C15H22O3

>  <MolWeight> (263)
250.33338

>  <Cat> (263)
S9093

>  <Name> (263)
Nardosinone

>  <Target> (263)
Others

>  <Form> (263)
free base

>  <CAS> (263)
23720-80-1

>  <URL> (263)
https://www.selleckchem.com/products/nardosinone.html

$$$$
S9111 Isorhamnetin.cdx
csChFnd80/04072409352D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6120    6.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6287    4.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8160    6.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3913    6.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    4.1707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0367    6.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7992    8.3704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1873    6.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3745    8.3415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0534    4.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    4.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2407    6.9995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2908    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4781    4.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5115    2.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6988    4.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7155    2.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5282    0.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9362    2.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3242    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  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
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (264)
4244

>  <Formula> (264)
C16H12O7

>  <MolWeight> (264)
316.26228

>  <Cat> (264)
S9111

>  <Name> (264)
Isorhamnetin

>  <Synonyms> (264)
3-methylquercetin, 3'-Methoxyquercetin, Isorhamnetol

>  <Target> (264)
Tyrosinase

>  <Form> (264)
free base

>  <CAS> (264)
480-19-3

>  <URL> (264)
https://www.selleckchem.com/products/isorhamnetin.html

$$$$
S9114 Polyphyllin I.cdx
csChFnd80/04072409352D

 65 73  0  0  0  0  0  0  0  0999 V2000
   12.1362   10.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1362    9.2065    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3470    8.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5648    9.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5648   10.6052    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3470   11.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7686    8.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9865    9.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9865   10.6052    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7686   11.3011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.2041   11.3011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2041   12.7067    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9865   13.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (265)
4247

>  <Formula> (265)
C44H70O16

>  <MolWeight> (265)
855.017

>  <Cat> (265)
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>  <Name> (265)
Polyphyllin I

>  <Target> (265)
JNK

>  <Form> (265)
free base

>  <CAS> (265)
50773-41-6

>  <URL> (265)
https://www.selleckchem.com/products/polyphyllin-i.html

$$$$
S9138 Picfeltarraenin IA.cdx
csChFnd80/04072409352D

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>  <Mol_ID> (266)
4266

>  <Formula> (266)
C41H62O13

>  <MolWeight> (266)
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>  <Cat> (266)
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>  <Name> (266)
Picfeltarraenin IA

>  <Target> (266)
AChR,Complement System

>  <Form> (266)
free base

>  <CAS> (266)
97230-47-2

>  <URL> (266)
https://www.selleckchem.com/products/picfeltarraenin-ia.html

$$$$
S9141 Berbamine.cdx
csChFnd80/04072409352D

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   10.5820    8.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3154    4.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
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 30 29  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 35 39  2  0  0  0  0
 31 40  1  0  0  0  0
 38 41  1  0  0  0  0
 41  7  1  0  0  0  0
  8 42  1  0  0  0  0
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 43 44  1  0  0  0  0
 42 45  1  0  0  0  0
M  END
>  <Mol_ID> (267)
4269

>  <Formula> (267)
C37H40N2O6

>  <MolWeight> (267)
608.7233

>  <Cat> (267)
S9141

>  <Name> (267)
Berbamine

>  <Synonyms> (267)
BA, BBM

>  <Target> (267)
Apoptosis related,Bcr-Abl,CaMK,NF-¦ÊB

>  <Form> (267)
free base

>  <CAS> (267)
478-61-5

>  <URL> (267)
https://www.selleckchem.com/products/berbamine.html

$$$$
S9172 Phellodendrine.cdx
csChFnd80/04072409352D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
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    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    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
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  8  1  1  0  0  0  0
 17  1  1  0  0  0  0
 19  1  1  0  0  0  0
  3  2  1  0  0  0  0
  5  2  1  0  0  0  0
  2 26  1  6  0  0  0
  9  3  2  0  0  0  0
  7  3  1  0  0  0  0
  4  6  2  0  0  0  0
 11  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  8  1  0  0  0  0
 13  6  1  0  0  0  0
  7 18  1  0  0  0  0
 12  7  2  0  0  0  0
 10  9  1  0  0  0  0
 20 10  1  0  0  0  0
 15 10  2  0  0  0  0
 11 14  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
 14 16  1  0  0  0  0
 21 14  1  0  0  0  0
 23 15  1  0  0  0  0
 22 16  1  0  0  0  0
 18 17  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (268)
4291

>  <Formula> (268)
C20H24NO4+

>  <MolWeight> (268)
342.40886

>  <Cat> (268)
S9172

>  <Name> (268)
Phellodendrine

>  <Target> (268)
Immunology & Inflammation related

>  <Form> (268)
free base

>  <CAS> (268)
6873-13-8

>  <URL> (268)
https://www.selleckchem.com/products/phellodendrine.html

$$$$
S9182 Crebanine.cdx
csChFnd80/04072409352D

 26 30  0  0  0  0  0  0  0  0999 V2000
    6.0836    4.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3018    4.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8693    4.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0836    6.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3018    2.7707    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5242    4.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8693    2.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6550    4.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3018    6.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0364    7.1102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4368    2.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6550    0.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4530    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3018    1.3650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 26  1  1  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 11  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
  9 13  1  0  0  0  0
 10 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  2  0  0  0  0
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 16 21  1  0  0  0  0
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 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (269)
4299

>  <Formula> (269)
C20H21NO4

>  <MolWeight> (269)
339.38504

>  <Cat> (269)
S9182

>  <Name> (269)
Crebanine

>  <Target> (269)
Apoptosis related

>  <Form> (269)
free base

>  <CAS> (269)
25127-29-1

>  <URL> (269)
https://www.selleckchem.com/products/crebanine.html

$$$$
S9183 Ruscogenin.cdx
csChFnd80/04072409352D

 36 41  0  0  0  0  0  0  0  0999 V2000
    8.6150    4.8973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3876    4.2241    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8183    4.2241    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6150    6.2318    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3876    2.8241    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1485    4.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3876    5.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0576    4.8617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8183    2.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0576    6.2318    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6199    7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7774    7.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6699    2.1031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.2156    8.2608    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6699    0.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2357    9.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  1 32  1  6  0  0  0
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  2  7  1  1  0  0  0
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  3  9  1  0  0  0  0
  3 33  1  6  0  0  0
  4 10  1  0  0  0  0
  4 11  1  6  0  0  0
  5 12  1  0  0  0  0
  5  9  1  0  0  0  0
  5 34  1  6  0  0  0
  6 13  1  0  0  0  0
  8 10  1  0  0  0  0
 10 14  1  1  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 35  1  1  0  0  0
 13 16  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 36  1  6  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  1  0  0  0
 21 23  2  0  0  0  0
 22 26  1  1  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  1  0  0  0
 27 30  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  1  0  0  0
M  END
>  <Mol_ID> (270)
4300

>  <Formula> (270)
C27H42O4

>  <MolWeight> (270)
430.61998

>  <Cat> (270)
S9183

>  <Name> (270)
Ruscogenin

>  <Target> (270)
Immunology & Inflammation related

>  <Form> (270)
free base

>  <CAS> (270)
472-11-7

>  <URL> (270)
https://www.selleckchem.com/products/ruscogenin.html

$$$$
S9190 Oroxin B.cdx
csChFnd80/04072409352D

 42 46  0  0  0  0  0  0  0  0999 V2000
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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4306

>  <Formula> (271)
C27H30O15

>  <MolWeight> (271)
594.5181

>  <Cat> (271)
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>  <Name> (271)
Oroxin B

>  <Synonyms> (271)
Hypocretin-2

>  <Target> (271)
Akt,Apoptosis related,COX,PI3K,PTEN

>  <Form> (271)
free base

>  <CAS> (271)
114482-86-9

>  <URL> (271)
https://www.selleckchem.com/products/oroxin-b.html

$$$$

csChFnd80/04072409352D

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M  END
>  <Mol_ID> (272)
4326

>  <Formula> (272)
C16H11N3O2

>  <MolWeight> (272)
277.27744

>  <Cat> (272)
S2009

>  <Name> (272)
Indirubin-3'-monoxime

>  <Synonyms> (272)
Indirubin-3'-oxime

>  <Target> (272)
CDK

>  <Form> (272)
Free Base

>  <CAS> (272)
160807-49-8

>  <URL> (272)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$
S9230 Vaccarin.cdx
csChFnd80/04072409352D

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4333

>  <Formula> (273)
C32H38O19

>  <MolWeight> (273)
726.63272

>  <Cat> (273)
S9230

>  <Name> (273)
Vaccarin

>  <Target> (273)
Others

>  <Form> (273)
free base

>  <CAS> (273)
53452-16-7

>  <URL> (273)
https://www.selleckchem.com/products/vaccarin.html

$$$$
S9285 Fargesin.cdx
csChFnd80/04072409352D

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>  <Cat> (274)
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Fargesin

>  <Target> (274)
Adrenergic Receptor

>  <Form> (274)
free base

>  <CAS> (274)
31008-19-2

>  <URL> (274)
https://www.selleckchem.com/products/fargesin.html

$$$$
S9293 Isoliquiritin.cdx
csChFnd80/04072409352D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.7077    5.6533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9099    6.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4648    6.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0985    4.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2737    6.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2762    4.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.9072    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3321    1.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1095    3.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5544    2.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3321    0.0339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5410    3.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  1  0  0  0  0
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  5 10  2  0  0  0  0
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  6 12  1  1  0  0  0
  7 13  1  1  0  0  0
  7 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  6  0  0  0
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 14 18  1  0  0  0  0
 15 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
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 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
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 25 28  2  0  0  0  0
 26 29  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (275)
4382

>  <Formula> (275)
C21H22O9

>  <MolWeight> (275)
418.39398

>  <Cat> (275)
S9293

>  <Name> (275)
Isoliquiritin

>  <Synonyms> (275)
Neoisoliquritin

>  <Target> (275)
Immunology & Inflammation related

>  <CAS> (275)
5041-81-6

>  <URL> (275)
https://www.selleckchem.com/products/isoliquiritin.html

$$$$
S9301 Verbenalin.cdx
csChFnd80/04072409352D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.4487    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6612    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2363    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4487    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8576    8.6431    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3787    9.9587    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9926    3.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1362    9.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6612    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2363    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8155    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6612    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7998   12.3467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2363    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5573   11.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    7.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9360   11.6174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2363    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8075    6.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8075    2.8077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7575    7.0844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4 14  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  2  0  0  0  0
  4 11  1  1  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15  1  1  0  0  0  0
 16  9  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  2  0  0  0  0
 19 15  2  0  0  0  0
  5 20  1  6  0  0  0
  6 21  1  1  0  0  0
 12 22  1  6  0  0  0
 23 15  1  0  0  0  0
 13 24  1  1  0  0  0
 16 25  1  1  0  0  0
 26 24  1  0  0  0  0
 27 23  1  0  0  0  0
  4  9  1  0  0  0  0
 17 16  1  0  0  0  0
 12 13  1  0  0  0  0
  9 28  1  1  0  0  0
  2  1  1  0  0  0  0
  2 29  1  1  0  0  0
  3 11  1  0  0  0  0
  3 30  1  6  0  0  0
M  END
>  <Mol_ID> (276)
4388

>  <Formula> (276)
C17H24O10

>  <MolWeight> (276)
388.36646

>  <Cat> (276)
S9301

>  <Name> (276)
Verbenalin

>  <Synonyms> (276)
Verbenalol ¦Â-D-glucopyranoside, Verbenalol glucoside, Cornin

>  <Target> (276)
Others

>  <Form> (276)
free base

>  <CAS> (276)
548-37-8

>  <URL> (276)
https://www.selleckchem.com/products/verbenalin.html

$$$$
S9314 Atractylenolide II.cdx
csChFnd80/04072409352D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8437    2.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2041    3.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    1.4202    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2041    1.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    1.4202    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4219    2.8255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6327    3.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6327    0.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    3.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3719    2.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    4.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    0.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6825    4.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4070    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    4.2009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  8  1  1  0  0  0  0
  2  3  1  0  0  0  0
 11  2  2  0  0  0  0
  2  5  1  0  0  0  0
 14  3  1  0  0  0  0
  5  4  1  0  0  0  0
  9  4  1  0  0  0  0
  4 19  1  6  0  0  0
  6  7  1  0  0  0  0
 13  6  1  0  0  0  0
  6 15  1  6  0  0  0
  9  6  1  0  0  0  0
  7  8  1  0  0  0  0
 10  7  1  0  0  0  0
  7 18  1  1  0  0  0
 12 10  2  0  0  0  0
 16 10  1  0  0  0  0
 13 17  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (277)
4397

>  <Formula> (277)
C15H20O2

>  <MolWeight> (277)
232.3181

>  <Cat> (277)
S9314

>  <Name> (277)
Atractylenolide II

>  <Synonyms> (277)
Asterolide, 2-Atractylenolide

>  <Target> (277)
Others

>  <Form> (277)
free base

>  <CAS> (277)
73069-14-4

>  <URL> (277)
https://www.selleckchem.com/products/atractylenolide-ii.html

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/04072409352D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8789    2.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8807    4.2433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6534    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    4.9160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6683    4.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418    2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3067    2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3067    4.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    6.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6683    6.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7744    5.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6863    3.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    7.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4573    7.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8820    7.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7117    8.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  1  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  2  0  0  0  0
 15 22  2  0  0  0  0
 16 23  2  0  0  0  0
 16 22  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (278)
4398

>  <Formula> (278)
C21H22O7

>  <MolWeight> (278)
386.39518

>  <Cat> (278)
S9315

>  <Name> (278)
Praeruptorin A

>  <Target> (278)
Akt,Calcium Channel,p38 MAPK

>  <Form> (278)
free base

>  <CAS> (278)
73069-25-7

>  <URL> (278)
https://www.selleckchem.com/products/praeruptorin-a-1.html

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/04072409352D

 63 66  0  0  0  0  0  0  0  0999 V2000
   18.4104    4.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4104    3.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6189    2.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8271    3.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8271    4.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6189    5.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6189    6.6429    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.6189    8.0429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0189    6.6429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2189    6.6429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6189    1.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7011    4.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7011    3.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9093    2.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1176    3.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1176    4.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9093    5.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9093    6.6359    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   23.9093    8.0359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3093    6.6359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5093    6.6359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9093    1.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6975    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6433    7.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (279)
4552

>  <Formula> (279)
C43H44ClFN4O11S3

>  <MolWeight> (279)
943.4760632

>  <Cat> (279)
S5241

>  <Name> (279)
Lapatinib ditosylate monohydrate

>  <Synonyms> (279)
Lapatinib ditoluenesulfonate monohydrate, Lapatinib tosilate, Lapatinib tosilate hydrate

>  <Target> (279)
HER2

>  <Form> (279)
ditosylate monohydrate

>  <CAS> (279)
388082-78-8

>  <URL> (279)
https://www.selleckchem.com/products/lapatinib-ditosylate-monohydrate.html

$$$$

csChFnd80/04072409352D

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    7.1026    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7399    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (280)
4726

>  <Formula> (280)
C21H16FN7O

>  <MolWeight> (280)
401.3964432

>  <Cat> (280)
S5818

>  <Name> (280)
acalisib (GS-9820)

>  <Synonyms> (280)
CAL-120

>  <Target> (280)
PI3K

>  <Form> (280)
Free Base

>  <CAS> (280)
870281-34-8

>  <URL> (280)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/04072409352D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (281)
4748

>  <Formula> (281)
C27H19ClN2O3

>  <MolWeight> (281)
454.90436

>  <Cat> (281)
S8803

>  <Name> (281)
MK-3903

>  <Synonyms> (281)
N/A

>  <Target> (281)
AMPK

>  <Form> (281)
Free Base

>  <CAS> (281)
1219737-12-8

>  <URL> (281)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/04072409352D

 44 48  0  0  0  0  0  0  0  0999 V2000
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   10.9118    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.1243    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6994    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 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
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 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
  7 21  1  0  0  0  0
  5 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  6  0  0  0
 35 38  1  1  0  0  0
 34 39  1  6  0  0  0
 33 40  1  6  0  0  0
 32 30  1  1  0  0  0
 26 30  1  6  0  0  0
 41 42  1  0  0  0  0
 29 41  1  1  0  0  0
 28 43  1  6  0  0  0
 27 44  1  1  0  0  0
 23 25  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
>  <Mol_ID> (282)
4761

>  <Formula> (282)
C28H32O16

>  <MolWeight> (282)
624.54408

>  <Cat> (282)
S9455

>  <Name> (282)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (282)
N/A

>  <Target> (282)
Others

>  <Form> (282)
Free Base

>  <CAS> (282)
55033-90-4

>  <URL> (282)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/04072409352D

 38 42  0  0  0  0  0  0  0  0999 V2000
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 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
  5  4  1  0  0  0  0
 20  4  1  0  0  0  0
  4 23  1  1  0  0  0
  7  4  1  0  0  0  0
 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
 15 29  1  1  0  0  0
 19 17  1  0  0  0  0
 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
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M  END
>  <Mol_ID> (283)
4796

>  <Formula> (283)
C30H48O5

>  <MolWeight> (283)
488.69912

>  <Cat> (283)
S9514

>  <Name> (283)
Rotundic acid

>  <Synonyms> (283)
Rutundic acid

>  <Target> (283)
Akt,mTOR,p38 MAPK

>  <Form> (283)
Free Base

>  <CAS> (283)
20137-37-5

>  <URL> (283)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/04072409352D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  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> (284)
4851

>  <Formula> (284)
C10H10O2

>  <MolWeight> (284)
162.1852

>  <Cat> (284)
S6221

>  <Name> (284)
Methyl cinnamate

>  <Synonyms> (284)
N/A

>  <Target> (284)
AMPK,CaMK,Tyrosinase

>  <Form> (284)
free base

>  <CAS> (284)
103-26-4

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

$$$$

csChFnd80/04072409352D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.8361    6.2779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    6.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    8.3698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    6.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    8.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318    6.2706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   11.1717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371   10.4741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2701    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.2895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536   10.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  7  2  1  0  0  0  0
  3  4  2  0  0  0  0
  6  3  1  0  0  0  0
 12  4  1  0  0  0  0
  5  6  2  0  0  0  0
  9  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
  8  9  1  0  0  0  0
 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 23 10  2  0  0  0  0
 11 25  1  0  0  0  0
 11 24  1  0  0  0  0
 18 12  1  0  0  0  0
 16 13  1  0  0  0  0
 14 17  1  0  0  0  0
 28 14  2  0  0  0  0
 15 16  2  0  0  0  0
 19 15  1  0  0  0  0
 26 16  1  0  0  0  0
 17 18  1  0  0  0  0
 29 19  1  0  0  0  0
 19 27  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 22 26  2  0  0  0  0
 27 22  1  0  0  0  0
 23 30  1  0  0  0  0
 31 28  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (285)
5158

>  <Formula> (285)
C23H26N6O2

>  <MolWeight> (285)
418.49154

>  <Cat> (285)
S6414

>  <Name> (285)
Apilimod (STA-5326)

>  <Synonyms> (285)
STA-5326

>  <Target> (285)
Interleukins,PIKfyve

>  <Form> (285)
Free Base

>  <CAS> (285)
541550-19-0

>  <URL> (285)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/04072409352D

 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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    9.6703    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (286)
5222

>  <Formula> (286)
C23H20FN7O

>  <MolWeight> (286)
429.4496032

>  <Cat> (286)
S8693

>  <Name> (286)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (286)
N/A

>  <Target> (286)
PI3K

>  <Form> (286)
Free Base

>  <CAS> (286)
2088525-31-7

>  <URL> (286)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/04072409352D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    3.6373    9.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249   11.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.5444    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
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 13  8  2  0  0  0  0
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M  END
>  <Mol_ID> (287)
5231

>  <Formula> (287)
C22H16F4N4OS

>  <MolWeight> (287)
460.4472528

>  <Cat> (287)
S8793

>  <Name> (287)
ULK-101

>  <Synonyms> (287)
N/A

>  <Target> (287)
Autophagy,ULK

>  <Form> (287)
Free Base

>  <CAS> (287)
2443816-45-1

>  <URL> (287)
http://www.selleck.cn/products/ulk-101.html

$$$$

csChFnd80/04072409352D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  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
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
  9 13  2  0  0  0  0
  8 10  2  0  0  0  0
  4 11  1  0  0  0  0
 14 15  1  0  0  0  0
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 15 20  2  0  0  0  0
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 24 25  2  0  0  0  0
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 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
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 14 24  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (288)
6489

>  <Formula> (288)
C22H19ClN2O6S

>  <MolWeight> (288)
474.91406

>  <Cat> (288)
S6503

>  <Name> (288)
LX2343

>  <Synonyms> (288)
N/A

>  <Target> (288)
BACE

>  <Form> (288)
free base

>  <CAS> (288)
333745-53-2

>  <URL> (288)
http://www.selleck.cn/products/lx2343.html

$$$$

csChFnd80/04072409352D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0  0  0  0
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 12  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 16  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 17  1  0  0  0  0
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M  END
>  <Mol_ID> (289)
6491

>  <Formula> (289)
C16H15N3O2

>  <MolWeight> (289)
281.3092

>  <Cat> (289)
S6506

>  <Name> (289)
Compound 401

>  <Synonyms> (289)
N/A

>  <Target> (289)
DNA-PK,mTOR

>  <Form> (289)
free base

>  <CAS> (289)
168425-64-7

>  <URL> (289)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/04072409352D

 34 38  0  0  0  0  0  0  0  0999 V2000
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>  <URL> (292)
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free base

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1513879-19-0

>  <URL> (295)
http://www.selleck.cn/products/kdu691.html

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38136-70-8

>  <URL> (296)
http://www.selleck.cn/products/brevianamide-f.html

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>  <URL> (297)
http://www.selleck.cn/products/dt-061-smap.html

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1800070-77-2

>  <URL> (298)
http://www.selleck.cn/products/borussertib.html

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DNA-PK

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Free Base

>  <CAS> (299)
2230820-11-6

>  <URL> (299)
http://www.selleck.cn/products/azd7648.html

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N/A

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Akt

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Free Base

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1402608-02-9

>  <URL> (300)
http://www.selleck.cn/products/bay1125976.html

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260413-62-5

>  <URL> (301)
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    0.0000    3.7140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7997    5.8590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6572    4.3003    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5572    5.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9359    5.1297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5735    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9736    0.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0860    1.9123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0860    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2984    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5108    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5108    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5108    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7231    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7231    2.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9357    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1481    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0860    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3605    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5729    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7855    4.7123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.9977    5.4124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.9977    6.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2103    4.7123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.4226    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2103    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.4226    2.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9977    2.6125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.9977    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2103    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7855    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  1  6  0  0  0
 29 27  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 33 29  1  0  0  0  0
 21 33  1  0  0  0  0
 34 19  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 37 34  1  0  0  0  0
 16 37  1  0  0  0  0
 37 38  1  6  0  0  0
 39 37  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 41 14  1  0  0  0  0
 41 42  1  1  0  0  0
 43 41  1  0  0  0  0
 11 43  1  0  0  0  0
 43 44  1  6  0  0  0
 45 43  1  0  0  0  0
  2 46  1  0  0  0  0
 46 45  1  0  0  0  0
 16 47  1  1  0  0  0
  1 48  2  0  0  0  0
  1 49  1  0  0  0  0
 50 49  1  1  0  0  0
 50 51  1  0  0  0  0
 51 52  1  6  0  0  0
 51 53  1  0  0  0  0
 53 54  1  1  0  0  0
 53 55  1  0  0  0  0
 55 56  1  6  0  0  0
 57 55  1  0  0  0  0
 57 58  1  1  0  0  0
 58 59  1  0  0  0  0
 60 57  1  0  0  0  0
 50 60  1  0  0  0  0
M  END
>  <Mol_ID> (302)
6745

>  <Formula> (302)
C42H66O14

>  <MolWeight> (302)
794.96504

>  <Cat> (302)
S9116

>  <Name> (302)
Chikusetsusaponin IVa

>  <Synonyms> (302)
Calenduloside F

>  <Target> (302)
AMPK,Immunology & Inflammation related

>  <Form> (302)
Free Base

>  <CAS> (302)
51415-02-2

>  <URL> (302)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

csChFnd80/04072409352D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6793    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6793    2.6124    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
    4.1890    3.8641    0.0000 O   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
    8.0793    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    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
    8.7793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1793    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8793    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8793    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2793    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1793    3.8249    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  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7  9  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (303)
6756

>  <Formula> (303)
C17H15NO3

>  <MolWeight> (303)
281.3059

>  <Cat> (303)
S2272

>  <Name> (303)
Indoprofen

>  <Synonyms> (303)
N/A

>  <Target> (303)
COX,Others,PDPK1

>  <Form> (303)
Free Base

>  <CAS> (303)
31842-01-0

>  <URL> (303)
http://www.selleck.cn/products/indoprofen.html

$$$$

csChFnd80/04072409352D

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.0116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    3.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    1.2116    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9589    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 16  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (304)
6786

>  <Formula> (304)
C16H19Cl2N3O4S

>  <MolWeight> (304)
420.31076

>  <Cat> (304)
S8900

>  <Name> (304)
SR18662

>  <Synonyms> (304)
N/A

>  <Target> (304)
KLF

>  <Form> (304)
Free Base

>  <CAS> (304)
2505001-62-5

>  <URL> (304)
http://www.selleckchem.com/products/sr18662.html

$$$$

csChFnd80/04072409352D

 39 43  0  0  0  0  0  0  0  0999 V2000
   11.9647    9.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6154    9.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6674   10.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2979   10.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3613   11.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9918   10.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5590    9.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4955    8.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8650    8.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1895    9.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2517    3.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3597    2.3718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6030    4.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6660    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2967    3.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8643    4.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8013    5.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1707    5.4924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4678    1.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  3  4  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 11 19  1  0  0  0  0
 14 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 33 34  1  0  0  0  0
 28 33  1  0  0  0  0
 26 29  1  0  0  0  0
 22 26  1  0  0  0  0
 35 36  1  0  0  0  0
 23 35  1  0  0  0  0
 13 20  1  0  0  0  0
 10 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8 37  1  0  0  0  0
  6 38  1  0  0  0  0
  2  3  1  0  0  0  0
  1 39  1  0  0  0  0
M  END
>  <Mol_ID> (305)
6791

>  <Formula> (305)
C27H24F2N6O4

>  <MolWeight> (305)
534.5140664

>  <Cat> (305)
S8945

>  <Name> (305)
BAY-1816032

>  <Synonyms> (305)
N/A

>  <Target> (305)
Serine/threonin kinase

>  <Form> (305)
Free Base

>  <CAS> (305)
1891087-61-8

>  <URL> (305)
http://www.selleckchem.com/products/bay-1816032.html

$$$$

csChFnd80/04072409352D

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>  <Mol_ID> (306)
6794

>  <Formula> (306)
C46H51F3N6O8S2

>  <MolWeight> (306)
937.0577496

>  <Cat> (306)
S8953

>  <Name> (306)
ASP4132

>  <Synonyms> (306)
N/A

>  <Target> (306)
AMPK

>  <Form> (306)
Free Base

>  <CAS> (306)
1640294-30-9

>  <URL> (306)
http://www.selleckchem.com/products/asp4132.html

$$$$

csChFnd80/04072409352D

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M  END
>  <Mol_ID> (307)
6795

>  <Formula> (307)
C26H23N5O2

>  <MolWeight> (307)
437.49312

>  <Cat> (307)
S8961

>  <Name> (307)
Alobresib (GS-5829)

>  <Synonyms> (307)
N/A

>  <Target> (307)
Akt,Apoptosis related,Epigenetic Reader Domain,ERK,Myc,NF-¦ÊB

>  <Form> (307)
Free Base

>  <CAS> (307)
1637771-14-2

>  <URL> (307)
http://www.selleckchem.com/products/alobresib.html

$$$$

csChFnd80/04072409352D

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M  END
>  <Mol_ID> (308)
6848

>  <Formula> (308)
C43H46F3N7O7S

>  <MolWeight> (308)
861.9282496

>  <Cat> (308)
S8888

>  <Name> (308)
GMB-475

>  <Synonyms> (308)
N/A

>  <Target> (308)
Bcr-Abl,E3 Ligase ,PROTAC

>  <Form> (308)
Free Base

>  <CAS> (308)
2490599-18-1

>  <URL> (308)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/04072409352D

 32 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (309)
6920

>  <Formula> (309)
C21H25F2N7O2

>  <MolWeight> (309)
445.4657064

>  <Cat> (309)
S8784

>  <Name> (309)
PQR620

>  <Synonyms> (309)
N/A

>  <Target> (309)
mTOR

>  <Form> (309)
Free Base

>  <CAS> (309)
1927857-56-4

>  <URL> (309)
http://www.selleckchem.com/products/pqr620.html

$$$$

csChFnd80/04072409352D

 41 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (310)
6994

>  <Formula> (310)
C25H34N6O8S2

>  <MolWeight> (310)
610.70286

>  <Cat> (310)
S0785

>  <Name> (310)
Apilimod (STA-5326) mesylate

>  <Synonyms> (310)
STA-5326 mesylate

>  <Target> (310)
Interleukins,PIKfyve

>  <Form> (310)
mesylate

>  <CAS> (310)
870087-36-8

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

$$$$

csChFnd80/04072409352D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 11  3  1  1  0  0  0
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 10  5  1  6  0  0  0
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  6 15  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 14 16  2  0  0  0  0
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 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (311)
6995

>  <Formula> (311)
C11H15ClN4O4

>  <MolWeight> (311)
302.7142

>  <Cat> (311)
S0787

>  <Name> (311)
3-Deazaadenosine hydrochloride

>  <Synonyms> (311)
3-DZA HCl, c3Ado HCl

>  <Target> (311)
Interleukins,TNF-alpha

>  <Form> (311)
hydrochloride

>  <CAS> (311)
86583-19-9

>  <URL> (311)
http://www.selleckchem.com/products/3-deazaadenosine-hydrochloride.html

$$$$

csChFnd80/04072409352D

 10 10  0  0  0  0  0  0  0  0999 V2000
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (312)
7021

>  <Formula> (312)
C7H7NO2

>  <MolWeight> (312)
137.13598

>  <Cat> (312)
S3220

>  <Name> (312)
Trigonelline

>  <Synonyms> (312)
Trigenolline

>  <Target> (312)
Akt,Anti-infection,Microtubule Associated,Phospholipase (e.g. PLA),PI3K

>  <Form> (312)
free base

>  <CAS> (312)
535-83-1

>  <URL> (312)
http://www.selleckchem.com/products/trigonelline.html

$$$$

csChFnd80/04072409352D

 32 37  0  0  0  0  0  0  0  0999 V2000
    5.2310    4.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6405    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1825    4.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5405    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9874    6.0631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    5.1422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4759    5.8422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5563    3.7817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    5.8422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    7.2422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5078    4.9083    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9405    3.6373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7996    7.9908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    7.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    7.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    5.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    7.2713    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6884    6.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    5.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    9.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8777    5.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    8.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0173    8.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311   10.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    9.5396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3125    6.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8126    4.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9405    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6824    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6405    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6175    5.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  9  1  1  1  0  0  0
 13  2  1  1  0  0  0
  2 29  1  0  0  0  0
 26  3  1  1  0  0  0
  4 28  1  0  0  0  0
  4 32  1  0  0  0  0
  5 29  2  0  0  0  0
  6 32  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  1  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  6  0  0  0
 11 14  1  0  0  0  0
 11 16  1  1  0  0  0
 12 13  1  0  0  0  0
 12 22  1  1  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 14 24  1  1  0  0  0
 15 16  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  6  0  0  0
 21 25  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  2  0  0  0  0
 23 26  1  0  0  0  0
 25 26  1  0  0  0  0
 27 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (313)
7024

>  <Formula> (313)
C26H34O6

>  <MolWeight> (313)
442.54456

>  <Cat> (313)
S3224

>  <Name> (313)
Cinobufagin

>  <Synonyms> (313)
Cinobufagine

>  <Target> (313)
Akt,Apoptosis related,ATM/ATR,Bcl-2,Caspase,CDK,Chk,PI3K

>  <Form> (313)
free base

>  <CAS> (313)
470-37-1

>  <URL> (313)
http://www.selleckchem.com/products/cinobufagin.html

$$$$

csChFnd80/04072409352D

 28 33  0  0  0  0  0  0  0  0999 V2000
    5.2310    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1826    0.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875    2.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    1.5049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5564    0.1442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    3.6048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5079    1.2709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    4.3533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    3.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    4.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    3.6340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6885    2.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    5.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8778    1.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    4.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0174    5.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    6.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    5.9023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3126    2.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8127    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6826    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6176    2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  8  1  1  1  0  0  0
 24  2  1  1  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  1  0  0  0
  7  9  1  0  0  0  0
  7 15  1  6  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  1  0  0  0
 10 11  1  0  0  0  0
 10 20  1  1  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 22  1  1  0  0  0
 13 14  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  6  0  0  0
 19 23  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 24  1  0  0  0  0
 23 24  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (314)
7031

>  <Formula> (314)
C24H32O4

>  <MolWeight> (314)
384.50848

>  <Cat> (314)
S3238

>  <Name> (314)
Resibufogenin

>  <Synonyms> (314)
Bufogenin, Recibufogenin

>  <Target> (314)
Akt,Apoptosis related,Bcl-2,Caspase,CDK,GSK-3,Mixed Lineage Kinase,PI3K,RIP kinase,ROS,Wnt/beta-catenin

>  <Form> (314)
free base

>  <CAS> (314)
465-39-4

>  <URL> (314)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/04072409352D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   11.1757    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
  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
  9 11  2  0  0  0  0
  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
 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 10  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (315)
7033

>  <Formula> (315)
C17H18O4

>  <MolWeight> (315)
286.32242

>  <Cat> (315)
S3241

>  <Name> (315)
Loureirin A

>  <Synonyms> (315)
N/A

>  <Target> (315)
Akt,PI3K

>  <Form> (315)
free base

>  <CAS> (315)
119425-89-7

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

$$$$

csChFnd80/04072409352D

 42 46  0  0  0  0  0  0  0  0999 V2000
    6.0623    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3715   11.8957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8328   16.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5757   12.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0847   14.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5645   14.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8275   14.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 16  1  1  6  0  0  0
 19  1  1  1  0  0  0
  2 20  1  0  0  0  0
  2 22  1  0  0  0  0
  3 19  1  0  0  0  0
  3 25  1  0  0  0  0
 20  4  1  1  0  0  0
  4 28  1  0  0  0  0
 17  5  1  1  0  0  0
 18  6  1  6  0  0  0
 21  7  1  6  0  0  0
 23  8  1  6  0  0  0
 24  9  1  1  0  0  0
 10 26  1  0  0  0  0
 11 29  1  0  0  0  0
 11 33  1  0  0  0  0
 12 30  2  0  0  0  0
 13 34  1  0  0  0  0
 14 39  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 21 23  1  0  0  0  0
 22 26  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 27  1  6  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
 32 36  2  0  0  0  0
 32 37  1  0  0  0  0
 33 35  2  0  0  0  0
 34 38  1  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  2  0  0  0  0
 38 39  2  0  0  0  0
 40 42  2  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (316)
7063

>  <Formula> (316)
C27H30O15

>  <MolWeight> (316)
594.5181

>  <Cat> (316)
S3278

>  <Name> (316)
Kaempferol-3-O-neohesperidoside

>  <Synonyms> (316)
Kaempferol 3-neohesperidoside

>  <Target> (316)
Carbohydrate Metabolism

>  <Form> (316)
free base

>  <CAS> (316)
32602-81-6

>  <URL> (316)
http://www.selleckchem.com/products/kaempferol-3-o-neohesperidoside.html

$$$$

csChFnd80/04072409352D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3666    2.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8528    7.0576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792    9.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    2.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    4.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    7.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5789    6.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    0.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5789    4.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    4.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    6.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3441    8.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6013    9.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8640    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    4.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 17  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  1  0  0  0  0
  6 20  2  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 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> (317)
7072

>  <Formula> (317)
C19H12O7

>  <MolWeight> (317)
352.29438

>  <Cat> (317)
S3289

>  <Name> (317)
Daphnoretin

>  <Synonyms> (317)
Dephnoretin, Thymelol

>  <Target> (317)
Akt,Apoptosis related,PKC

>  <Form> (317)
free base

>  <CAS> (317)
2034-69-7

>  <URL> (317)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/04072409352D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0580    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 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
 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> (318)
7076

>  <Formula> (318)
C16H17NO3

>  <MolWeight> (318)
271.31108

>  <Cat> (318)
S3294

>  <Name> (318)
Demethyl-Coclaurine

>  <Synonyms> (318)
Higenamine, Norcoclaurine

>  <Target> (318)
Adrenergic Receptor,Akt,Apoptosis related,PI3K

>  <Form> (318)
free base

>  <CAS> (318)
5843-65-2

>  <URL> (318)
http://www.selleckchem.com/products/demethyl-coclaurine.html

$$$$

csChFnd80/04072409352D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8854    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8754    4.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3878    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (319)
7078

>  <Formula> (319)
C16H12O6

>  <MolWeight> (319)
300.26288

>  <Cat> (319)
S3296

>  <Name> (319)
Hispidulin

>  <Synonyms> (319)
Dinatin

>  <Target> (319)
Akt,AMPK,Apoptosis related,Mitochondrial Metabolism,PI3K,Pim

>  <Form> (319)
free base

>  <CAS> (319)
1447-88-7

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

$$$$

csChFnd80/04072409352D

 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
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166   10.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0084    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291   12.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 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
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (320)
7081

>  <Formula> (320)
C19H18NO4+

>  <MolWeight> (320)
324.35052

>  <Cat> (320)
S3299

>  <Name> (320)
Demethyleneberberine

>  <Synonyms> (320)
DMB

>  <Target> (320)
AMPK,Interleukins,NF-¦ÊB,Peroxidases,TNF-alpha

>  <Form> (320)
free base

>  <CAS> (320)
25459-91-0

>  <URL> (320)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/04072409352D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    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    5.6000    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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    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
    0.0000    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    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
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 10  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
 13 14  1  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 26  1  0  0  0  0
 21 26  2  0  0  0  0
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M  END
>  <Mol_ID> (321)
7098

>  <Formula> (321)
C27H33ClN2O4

>  <MolWeight> (321)
485.01492

>  <Cat> (321)
S6760

>  <Name> (321)
LM22B-10

>  <Synonyms> (321)
N/A

>  <Target> (321)
Akt,ERK,Trk receptor

>  <Form> (321)
free base

>  <CAS> (321)
342777-54-2

>  <URL> (321)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/04072409352D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (322)
7103

>  <Formula> (322)
C27H24N6

>  <MolWeight> (322)
432.51966

>  <Cat> (322)
S6811

>  <Name> (322)
Miransertib (ARQ-092)

>  <Synonyms> (322)
N/A

>  <Target> (322)
Akt

>  <Form> (322)
free base

>  <CAS> (322)
1313881-70-7

>  <URL> (322)
http://www.selleckchem.com/products/miransertib.html

$$$$

csChFnd80/04072409352D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (323)
7104

>  <Formula> (323)
C24H19F4N5O2

>  <MolWeight> (323)
485.4335728

>  <Cat> (323)
S6817

>  <Name> (323)
VU6015929

>  <Synonyms> (323)
N/A

>  <Target> (323)
DDR

>  <Form> (323)
free base

>  <CAS> (323)
2442597-56-8

>  <URL> (323)
http://www.selleckchem.com/products/vu6015929.html

$$$$

csChFnd80/04072409352D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 15 16  1  0  0  0  0
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 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (324)
7106

>  <Formula> (324)
C15H18Cl2N2O2S

>  <MolWeight> (324)
361.28662

>  <Cat> (324)
S6847

>  <Name> (324)
ML-9 HCl

>  <Synonyms> (324)
ML-9 hydrochloride

>  <Target> (324)
Akt,Autophagy,Calcium Channel,MLCK

>  <Form> (324)
hydrochloride

>  <CAS> (324)
105637-50-1

>  <URL> (324)
http://www.selleckchem.com/products/ml-9-hcl.html

$$$$

csChFnd80/04072409352D

 30 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (325)
7166

>  <Formula> (325)
C22H13FN2O5

>  <MolWeight> (325)
404.3474232

>  <Cat> (325)
S9602

>  <Name> (325)
Elraglusib

>  <Synonyms> (325)
9-ing-41

>  <Target> (325)
Apoptosis related,GSK-3

>  <Form> (325)
free base

>  <CAS> (325)
1034895-42-5

>  <URL> (325)
http://www.selleckchem.com/products/9-ing-41.html

$$$$

csChFnd80/04072409352D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.6333    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6333    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0581    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0581    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4830    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6954    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4830    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    2.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1163    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    3.7799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2626    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3320    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3952    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    2.3869    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0857    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
>  <Mol_ID> (326)
7167

>  <Formula> (326)
C13H16F3N5O

>  <MolWeight> (326)
315.2942496

>  <Cat> (326)
S9604

>  <Name> (326)
IM156

>  <Synonyms> (326)
HL156A

>  <Target> (326)
AMPK,Apoptosis related,OXPHOS

>  <Form> (326)
free base

>  <CAS> (326)
1422365-93-2

>  <URL> (326)
http://www.selleckchem.com/products/im156.html

$$$$

csChFnd80/04072409352D

 21 20  0  0  0  0  0  0  0  0999 V2000
   10.9120    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2125    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
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    1.2125    4.2000    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
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    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
  1 10  1  0  0  0  0
  2 17  1  0  0  0  0
  3 17  2  0  0  0  0
  4  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 13  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 21  1  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (327)
7170

>  <Formula> (327)
C18H32O3

>  <MolWeight> (327)
296.44488

>  <Cat> (327)
S9611

>  <Name> (327)
ABTL-0812

>  <Synonyms> (327)
¦Á-Hydroxylinoleic acid

>  <Target> (327)
Akt,Autophagy,mTOR,ROS

>  <Form> (327)
free base

>  <CAS> (327)
57818-44-7

>  <URL> (327)
http://www.selleckchem.com/products/abtl-0812.html

$$$$

csChFnd80/04072409352D

 39 44  0  0  0  0  0  0  0  0999 V2000
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    0.5042    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430    1.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6430    1.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0756    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430    3.9441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430    5.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7305    6.0441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1554    6.0441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430    8.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1554    7.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2176    5.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4297    9.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0673    8.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4196    7.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5803   10.2441    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4071    3.5538    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  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  6  7  1  0  0  0  0
  1  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  9 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 27 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 33 36  1  0  0  0  0
 30 35  1  0  0  0  0
 25 27  1  0  0  0  0
 22 25  1  0  0  0  0
 15 19  1  0  0  0  0
 16 37  1  0  0  0  0
 12 14  1  0  0  0  0
  4 38  1  0  0  0  0
  8 39  1  0  0  0  0
M  END
>  <Mol_ID> (328)
7173

>  <Formula> (328)
C25H29F2N9O3

>  <MolWeight> (328)
541.5530664

>  <Cat> (328)
S9639

>  <Name> (328)
VX-803 (M4344)

>  <Synonyms> (328)
ATR inhibitor 2

>  <Target> (328)
ATM/ATR,Chk

>  <Form> (328)
free base

>  <CAS> (328)
1613191-99-3

>  <URL> (328)
http://www.selleckchem.com/products/vx803-m4344.html

$$$$

csChFnd80/04072409352D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    7.2363    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0239    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4488    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6612    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6612    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4488    8.3879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 11  2  0  0  0  0
 16 18  1  0  0  0  0
 13 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
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 22 24  1  0  0  0  0
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 29 33  1  0  0  0  0
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M  END
>  <Mol_ID> (329)
7177

>  <Formula> (329)
C25H20FN7O

>  <MolWeight> (329)
453.4710032

>  <Cat> (329)
S9658

>  <Name> (329)
SP-96

>  <Synonyms> (329)
N/A

>  <Target> (329)
Aurora Kinase

>  <Form> (329)
free base

>  <CAS> (329)
2682114-54-9

>  <URL> (329)
http://www.selleckchem.com/products/sp-146.html

$$$$

csChFnd80/04072409352D

 35 42  0  0  0  0  0  0  0  0999 V2000
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    6.1374    6.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8374    7.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1374    8.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7374    8.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1273    5.3424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3747    5.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1557    7.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7270    5.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7170    6.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3546    7.9579    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
  8 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  9  2  0  0  0  0
  9 10  1  0  0  0  0
  7  8  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
  5 20  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 22  2  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 19  1  0  0  0  0
 27 30  2  0  0  0  0
  1 31  1  6  0  0  0
  2 32  1  1  0  0  0
  3 34  1  1  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (330)
7185

>  <Formula> (330)
C28H26N4O3

>  <MolWeight> (330)
466.53104

>  <Cat> (330)
S1421

>  <Name> (330)
Staurosporine (AM-2282)

>  <Synonyms> (330)
Antibiotic AM-2282, STS

>  <Target> (330)
ADC Cytotoxin,Antineoplastic and Immunosuppressive Antibiotics,CaMK,PKA,PKC,PKG,S6 Kinase

>  <Form> (330)
Free Base

>  <CAS> (330)
62996-74-1

>  <URL> (330)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/04072409352D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.0473    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    8.6193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4499    0.6422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202    5.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    4.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9450    2.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2159    2.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    3.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1509    1.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    9.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202    9.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  2  0  0  0  0
  2  7  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6 16  2  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  2  0  0  0  0
 11 18  2  0  0  0  0
 12 13  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (331)
7211

>  <Formula> (331)
C21H18N2O

>  <MolWeight> (331)
314.38042

>  <Cat> (331)
S0765

>  <Name> (331)
MAZ51

>  <Synonyms> (331)
N/A

>  <Target> (331)
Akt,Apoptosis related,GSK-3,Rho,VEGFR

>  <Form> (331)
Free Base

>  <CAS> (331)
163655-37-6

>  <URL> (331)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/04072409352D

 80 89  0  0  0  0  0  0  0  0999 V2000
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   23.0779    9.8820    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.0698    8.4217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    7.9348    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4336    7.2095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2088    7.9351    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2107    9.3529    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4413   10.0509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6426    9.3493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8306    7.2095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8411    7.8614    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8411    9.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6170   10.0485    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4202    9.3059    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4202    7.8549    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.6170    7.2012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.4372    9.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4372   11.2045    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   29.1221   14.5563    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (332)
7224

>  <Formula> (332)
C51H82O21

>  <MolWeight> (332)
1031.18418

>  <Cat> (332)
S9156

>  <Name> (332)
Chonglou Saponin VII

>  <Synonyms> (332)
Dioscinin, Polyphyllin-VII, Paris saponin-VII

>  <Target> (332)
GSK-3

>  <Form> (332)
Free Base

>  <CAS> (332)
68124-04-9

>  <URL> (332)
https://www.selleckchem.com/products/chonglou-saponin-vii.html

$$$$

csChFnd80/04072409352D

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M  END
>  <Mol_ID> (333)
7233

>  <Formula> (333)
C42H70O12

>  <MolWeight> (333)
766.998

>  <Cat> (333)
S9210

>  <Name> (333)
Ginsenoside Rk1

>  <Synonyms> (333)
N/A

>  <Target> (333)
Others

>  <Form> (333)
Free Base

>  <CAS> (333)
494753-69-4

>  <URL> (333)
https://www.selleckchem.com/products/ginsenoside-rk1.html

$$$$

csChFnd80/04072409352D

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 18 20  1  0  0  0  0
 11 37  1  6  0  0  0
 72 77  1  0  0  0  0
 73 74  1  0  0  0  0
 74 75  1  0  0  0  0
 75 76  1  0  0  0  0
 76 77  1  0  0  0  0
 19 20  1  0  0  0  0
 73 78  1  1  0  0  0
 36 38  1  0  0  0  0
 74 79  1  1  0  0  0
 26 10  1  1  0  0  0
 75 80  1  6  0  0  0
  3  7  1  0  0  0  0
 72 81  1  1  0  0  0
 28 39  1  0  0  0  0
 76 82  1  1  0  0  0
 80 67  1  0  0  0  0
 11 12  1  0  0  0  0
 71 83  1  6  0  0  0
 28 40  1  0  0  0  0
 67 84  1  6  0  0  0
  4  5  1  0  0  0  0
 69 85  1  6  0  0  0
 40 41  1  0  0  0  0
 70 86  1  1  0  0  0
 86 62  1  0  0  0  0
  5  2  1  0  0  0  0
 62 87  1  1  0  0  0
 39 42  1  0  0  0  0
 63 88  1  1  0  0  0
 19 22  1  0  0  0  0
 64 89  1  1  0  0  0
 23 43  1  6  0  0  0
 64 90  1  0  0  0  0
 20 24  1  0  0  0  0
 90 91  1  0  0  0  0
 46 44  1  6  0  0  0
 72 92  1  0  0  0  0
  2 92  1  6  0  0  0
M  END
>  <Mol_ID> (334)
7250

>  <Formula> (334)
C57H92O28

>  <MolWeight> (334)
1225.32358

>  <Cat> (334)
S9304

>  <Name> (334)
Platycodin D

>  <Synonyms> (334)
N/A

>  <Target> (334)
Immunology & Inflammation related

>  <Form> (334)
Free Base

>  <CAS> (334)
58479-68-8

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

$$$$

csChFnd80/04072409352D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.1572    2.8484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    6.3484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    4.9484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    2.8484    0.0000 C   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
    3.7324    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2684    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2684    0.0000    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
    3.7324    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1572    7.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    7.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1572    8.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    8.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    9.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2 16  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  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  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (335)
7281

>  <Formula> (335)
C17H13NO2

>  <MolWeight> (335)
263.29062

>  <Cat> (335)
S0148

>  <Name> (335)
HAMNO

>  <Synonyms> (335)
NSC-111847

>  <Target> (335)
ATM/ATR

>  <Form> (335)
Free Base

>  <CAS> (335)
138736-73-9

>  <URL> (335)
https://www.selleckchem.com/products/nsc111847.html

$$$$

csChFnd80/04072409352D

 22 25  0  0  0  0  0  0  0  0999 V2000
    8.7886    1.9771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2052    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0918    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058    5.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7339    4.3312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3959    1.2052    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6293    3.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7604    5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2665    3.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5703    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6188    2.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9719    6.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2802    5.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5425    2.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0456    3.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1268    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6584    7.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0959    2.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150    3.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3912    6.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7489    8.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1248    8.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 20  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (336)
7308

>  <Formula> (336)
C16H11N3O3

>  <MolWeight> (336)
293.27684

>  <Cat> (336)
S0354

>  <Name> (336)
Alsterpaullone

>  <Synonyms> (336)
Alp, 9-Nitropaullone, NSC 705701

>  <Target> (336)
Apoptosis related,Caspase,CDK,GSK-3

>  <Form> (336)
Free Base

>  <CAS> (336)
237430-03-4

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

$$$$

csChFnd80/04072409352D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.2178    2.8491    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4626    6.6129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8345    7.1171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7891    2.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5767    4.9414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0016    4.9414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9637    2.4148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7807    3.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2791    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8485    2.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7095    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484    3.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0852    4.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3643    4.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7941    6.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2141    4.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7891    4.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6390    4.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6390    2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4265    4.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2141    2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4265    2.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9637    4.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 17  2  0  0  0  0
  4 19  2  0  0  0  0
  5 16  1  0  0  0  0
  5 19  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8 25  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 25  1  0  0  0  0
 21 24  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (337)
7313

>  <Formula> (337)
C17H18N4O3S

>  <MolWeight> (337)
358.41482

>  <Cat> (337)
S0385

>  <Name> (337)
S6K-18

>  <Synonyms> (337)
N/A

>  <Target> (337)
S6 Kinase

>  <Form> (337)
Free Base

>  <CAS> (337)
1265789-88-5

>  <URL> (337)
https://www.selleckchem.com/products/s6k-18.html

$$$$

csChFnd80/04072409352D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2040    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3870    4.4734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3870    6.7266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    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
    3.6373    9.1000    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
    1.2124    9.1000    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
    3.6373   10.5000    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
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7 11  2  0  0  0  0
  7 15  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 12 18  2  0  0  0  0
 13 17  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (338)
7314

>  <Formula> (338)
C16H10F2N6O

>  <MolWeight> (338)
340.2870064

>  <Cat> (338)
S0411

>  <Name> (338)
BAM 15

>  <Synonyms> (338)
N/A

>  <Target> (338)
AMPK,Apoptosis related,Mitochondrial Metabolism

>  <Form> (338)
Free Base

>  <CAS> (338)
210302-17-3

>  <URL> (338)
https://www.selleckchem.com/products/bam-15.html

$$$$

csChFnd80/04072409352D

 24 26  0  0  0  0  0  0  0  0999 V2000
   13.5967    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4726    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5269    3.8274    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1469    7.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414    5.6630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4083    4.9150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0497    3.5702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2938    5.7278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8015    4.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4991    3.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8992    3.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7991    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6463    6.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2200    4.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5993    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4991    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    3.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8991    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  1  0  0  0  0
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  4 13  2  0  0  0  0
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  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
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 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (339)
7336

>  <Formula> (339)
C16H11Cl2N3O2S

>  <MolWeight> (339)
380.24844

>  <Cat> (339)
S0795

>  <Name> (339)
O-304

>  <Synonyms> (339)
O-304X

>  <Target> (339)
AMPK

>  <Form> (339)
Free Base

>  <CAS> (339)
1261289-04-6

>  <URL> (339)
https://www.selleckchem.com/products/o-304.html

$$$$

csChFnd80/04072409352D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    7.2746    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 17  2  0  0  0  0
  4 18  2  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
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M  END
>  <Mol_ID> (340)
7352

>  <Formula> (340)
C10H16N2O2S4

>  <MolWeight> (340)
324.50624

>  <Cat> (340)
S0983

>  <Name> (340)
JX06

>  <Synonyms> (340)
N/A

>  <Target> (340)
PDK

>  <Form> (340)
Free Base

>  <CAS> (340)
729-46-4

>  <URL> (340)
https://www.selleckchem.com/products/jx06.html

$$$$

csChFnd80/04072409352D

 44 48  0  0  0  0  0  0  0  0999 V2000
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   10.8045    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9987    8.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5695    6.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4501    6.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   10.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9910   13.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5550   13.2183    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  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  1  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  6  0  0  0
 11 19  1  0  0  0  0
 19 23  1  6  0  0  0
 15 24  1  1  0  0  0
 24 25  1  0  0  0  0
 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 33 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
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 43 38  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (341)
7358

>  <Formula> (341)
C29H30O13

>  <MolWeight> (341)
586.5407

>  <Cat> (341)
S1273

>  <Name> (341)
Amarogentin

>  <Synonyms> (341)
AG

>  <Target> (341)
Akt,AMPK,Apoptosis related,PI3K,Taste Receptor,TNF-alpha

>  <Form> (341)
Free Base

>  <CAS> (341)
21018-84-8

>  <URL> (341)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/04072409352D

 16 18  0  0  0  0  0  0  0  0999 V2000
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    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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> (342)
7360

>  <Formula> (342)
C13H8O3

>  <MolWeight> (342)
212.20082

>  <Cat> (342)
S1321

>  <Name> (342)
Urolithin B

>  <Synonyms> (342)
N/A

>  <Target> (342)
Akt,AMPK,ERK,I¦ÊB/IKK,JNK,NF-¦ÊB

>  <Form> (342)
Free Base

>  <CAS> (342)
1139-83-9

>  <URL> (342)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/04072409352D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    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
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    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
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  5  7  1  0  0  0  0
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 10 12  2  0  0  0  0
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 14 16  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (343)
7361

>  <Formula> (343)
C16H12O3

>  <MolWeight> (343)
252.26468

>  <Cat> (343)
S1323

>  <Name> (343)
7-Methoxyisoflavone

>  <Synonyms> (343)
MIF

>  <Target> (343)
AMPK

>  <Form> (343)
Free Base

>  <CAS> (343)
1621-56-3

>  <URL> (343)
https://www.selleckchem.com/products/7-methoxyisoflavone.html

$$$$

csChFnd80/04072409352D

 38 39  0  0  0  0  0  0  0  0999 V2000
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   10.8942    3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   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> (344)
7367

>  <Formula> (344)
C30H36Br2N4O2

>  <MolWeight> (344)
644.44044

>  <Cat> (344)
S2942

>  <Name> (344)
EB-3D

>  <Synonyms> (344)
N/A

>  <Target> (344)
AMPK,Apoptosis related,Choline kinase

>  <Form> (344)
Free Base

>  <CAS> (344)
1839150-63-8

>  <URL> (344)
https://www.selleckchem.com/products/eb-3d.html

$$$$

csChFnd80/04072409352D

 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> (345)
7464

>  <Formula> (345)
C16H30O2

>  <MolWeight> (345)
254.4082

>  <Cat> (345)
S3341

>  <Name> (345)
Palmitoleic acid

>  <Synonyms> (345)
POA, Palmitoleate

>  <Target> (345)
AMPK

>  <Form> (345)
Free Base

>  <CAS> (345)
373-49-9

>  <URL> (345)
https://www.selleckchem.com/products/palmitoleic-acid.html

$$$$

csChFnd80/04072409352D

 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> (346)
7491

>  <Formula> (346)
C17H20N6O2S

>  <MolWeight> (346)
372.4447

>  <Cat> (346)
S6517

>  <Name> (346)
GNE-493

>  <Synonyms> (346)
N/A

>  <Target> (346)
mTOR,PI3K

>  <Form> (346)
Free Base

>  <CAS> (346)
1033735-94-2

>  <URL> (346)
https://www.selleckchem.com/products/gne-493.html

$$$$

csChFnd80/04072409352D

 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> (347)
7498

>  <Formula> (347)
C26H24IN7O

>  <MolWeight> (347)
577.41953

>  <Cat> (347)
S6912

>  <Name> (347)
Vacuolin-1

>  <Synonyms> (347)
N/A

>  <Target> (347)
Autophagy,PIKfyve

>  <Form> (347)
Free Base

>  <CAS> (347)
351986-85-1

>  <URL> (347)
https://www.selleckchem.com/products/vacuolin-1.html

$$$$

csChFnd80/04072409352D

 25 28  0  0  0  0  0  0  0  0999 V2000
    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> (348)
7537

>  <Formula> (348)
C20H14ClNO2S

>  <MolWeight> (348)
367.84866

>  <Cat> (348)
S9695

>  <Name> (348)
iHAP1

>  <Synonyms> (348)
N/A

>  <Target> (348)
Microtubule Associated

>  <Form> (348)
Free Base

>  <CAS> (348)
105925-39-1

>  <URL> (348)
https://www.selleckchem.com/products/ihap1.html

$$$$
3-[[(3E)-3-[(4-Chlorophenyl)phenylmethylene]-2,3-dihydro-2-oxo-1H-indol-1-yl]...
csChFnd80/04072409352D

 34 38  0  0  0  0  0  0  0  0999 V2000
    5.3348    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3956    3.2573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6376    5.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5426    6.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (349)
9684

>  <Formula> (349)
C29H20ClNO3

>  <MolWeight> (349)
465.927

>  <Cat> (349)
E2371

>  <Name> (349)
YLF-466D

>  <Target> (349)
AMPK

>  <Form> (349)
free base

>  <CAS> (349)
1273323-67-3

>  <URL> (349)
https://www.selleckchem.com/products/ylf-466d.html

$$$$
4-[2-(Difluoromethyl)-1H-benzimidazol-1-yl]-N-[1,1-dimethyl-2-[2-(1-methyl-4-...
csChFnd80/04072409352D

 42 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (350)
9740

>  <Formula> (350)
C31H38F2N8O

>  <MolWeight> (350)
576.6832264

>  <Cat> (350)
S3575

>  <Name> (350)
Zandelisib

>  <Synonyms> (350)
ME-401; PWT-143

>  <Target> (350)
PI3K

>  <Form> (350)
Free base

>  <CAS> (350)
1401436-95-0

>  <URL> (350)
https://www.selleckchem.com/products/zandelisib.html

$$$$
N-[5-[3-[[(4-Hydroxyphenyl)amino]sulfonyl]-4-methoxyphenyl]-4-methyl-2-thiazo...
csChFnd80/04072409352D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (351)
9807

>  <Formula> (351)
C22H25N3O5S2

>  <MolWeight> (351)
475.581

>  <Cat> (351)
E2981

>  <Name> (351)
PI4KIIIbeta-IN-10

>  <Target> (351)
PI4K

>  <Form> (351)
Free base

>  <CAS> (351)
1881233-39-1

>  <URL> (351)
https://www.selleckchem.com/products/pi4kiiibeta-in-10.html

$$$$
Recilisib
csChFnd80/04072409352D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (352)
9824

>  <Formula> (352)
C16H13ClO4S

>  <MolWeight> (352)
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>  <Cat> (352)
E2947

>  <Name> (352)
Recilisib

>  <Synonyms> (352)
ON 01210, EX-RAD

>  <Target> (352)
AKT

>  <Form> (352)
Salt

>  <CAS> (352)
334969-03-8

>  <URL> (352)
https://www.selleckchem.com/products/recilisib.html

$$$$
(2E)-3-(5-Methoxy-2-methyl-1H-indol-3-yl)-1-(4-pyridinyl)-2-propen-1-one
csChFnd80/04072409352D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.9300    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    5.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    6.4384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5674    0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9851    3.8614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4498    3.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2317    2.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5518    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3761    3.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0737    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2181    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0164    0.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8407    2.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1609    1.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    5.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    6.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    6.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (353)
9831

>  <Formula> (353)
C18H16N2O2

>  <MolWeight> (353)
292.33184

>  <Cat> (353)
E2933

>  <Name> (353)
MOMIPP

>  <Target> (353)
PIKfyve

>  <Form> (353)
Free base

>  <CAS> (353)
1363421-46-8

>  <URL> (353)
https://www.selleckchem.com/products/momipp.html

$$$$
Ethanone, 1-[7-[[2-[[4-(4-ethyl-1-piperazinyl)phenyl]amino]-4-pyridinyl]amino...
csChFnd80/04072409352D

 34 38  0  0  0  0  0  0  0  0999 V2000
    5.1457    4.1156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1885    1.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7126    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6949    1.7849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4805    4.1156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8164    9.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1502    8.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782    4.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8119    4.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1446    4.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1580    2.6091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8119    6.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1446    6.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6265    2.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782    7.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4794    4.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8131    4.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4794    6.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1467    4.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8131    7.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1467    6.4256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8142    4.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1479    4.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8142    6.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4816    4.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1479    7.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4816    6.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8154    7.1957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8154    8.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1490    6.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1490    9.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4827    7.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4827    8.7357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 11  1  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (354)
9880

>  <Formula> (354)
C27H32N6O

>  <MolWeight> (354)
456.58258

>  <Cat> (354)
E1579

>  <Name> (354)
UCL-TRO-1938

>  <Target> (354)
PI3K

>  <Form> (354)
Free base

>  <CAS> (354)
2919575-27-0

>  <URL> (354)
https://www.selleckchem.com/products/ucl-tro-1938.html

$$$$
4-[2,3-Dihydro-7-methoxy-3-methyl-8-(1-methyl-1H-pyrazol-4-yl)-2-oxo-1H-imida...
csChFnd80/04072409352D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.3628    4.2275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7126    2.7930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3193   10.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3193   11.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7862    1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8166    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2882    6.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9845    7.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3182    7.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6643    5.7223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6508    7.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3182    9.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6520    7.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1328    5.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5063    6.9681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6508    9.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6520   10.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9845   10.3086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9856    7.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9856    9.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6948    4.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2189    3.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2012    4.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2493    1.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2316    3.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7558    2.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3193    7.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    7.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4802    5.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7567    6.7105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9867    5.3768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 16  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  6  7  3  0  0  0  0
  6 27  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 22  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 17 19  2  0  0  0  0
 18 21  1  0  0  0  0
 20 21  2  0  0  0  0
 20 28  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (355)
9891

>  <Formula> (355)
C23H17FN6O2

>  <MolWeight> (355)
428.4184832

>  <Cat> (355)
E1512

>  <Name> (355)
M3541

>  <Target> (355)
ATM/ATR

>  <Form> (355)
Free base

>  <CAS> (355)
1360628-91-6

>  <URL> (355)
https://www.selleckchem.com/products/m3541.html

$$$$
2-Amino-6-fluoro-N-[5-fluoro-4-(1-methyl-1H-imidazol-5-yl)-3-pyridinyl]pyrazo...
csChFnd80/04072409352D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.7118    4.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3779    3.9098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7118    6.2199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0620    1.3478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9715    5.4968    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0431    3.9098    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4522    4.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0454    3.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4828    3.3918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9283    6.0009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2064    2.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7128    2.0581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9891    3.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4346    6.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4650    5.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0443    4.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7106    3.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0443    6.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3769    4.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7106    6.9899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3769    6.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9565    1.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4647    1.4646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4806    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9406    0.0000    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  9  1  0  0  0  0
  2 17  1  0  0  0  0
  4 12  1  0  0  0  0
  5 16  1  0  0  0  0
  6 20  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (356)
9917

>  <Formula> (356)
C16H12F2N8O

>  <MolWeight> (356)
370.3162864

>  <Cat> (356)
E1411

>  <Name> (356)
Tuvusertib

>  <Synonyms> (356)
M1774, ATR inhibitor 1

>  <Target> (356)
ATM/ATR

>  <Form> (356)
free base

>  <CAS> (356)
1613200-51-3

>  <URL> (356)
https://www.selleckchem.com/products/tuvusertib.html

$$$$
