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>  <Mol_ID> (3)
32

>  <Formula> (3)
C51H79NO13

>  <MolWeight> (3)
914.17186

>  <Item Name> (3)
Rapamycin (Sirolimus)

>  <Catalog Number> (3)
S1039

>  <Synonyms> (3)
N/A 

>  <Target> (3)
mTOR 

>  <Form> (3)
Free Base

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

>  <CAS Number> (3)
53123-88-9

$$$$
vorinostat.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (4)
39

>  <Formula> (4)
C14H20N2O3

>  <MolWeight> (4)
264.3202

>  <Item Name> (4)
Vorinostat (SAHA, MK0683)

>  <Catalog Number> (4)
S1047

>  <Synonyms> (4)
SAHA, MK0683, suberoylanilide hydroxamic acid

>  <Target> (4)
HDAC

>  <Form> (4)
Free Base

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

>  <CAS Number> (4)
149647-78-9

$$$$
untitled.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (5)
40

>  <Formula> (5)
C23H28N8OS

>  <MolWeight> (5)
464.58642

>  <Item Name> (5)
VX-680 (MK-0457, Tozasertib)

>  <Catalog Number> (5)
S1048

>  <Synonyms> (5)
N/A 

>  <Target> (5)
Aurora Kinase

>  <Form> (5)
Free Base

>  <URL> (5)
http://www.selleckchem.com/products/VX-680(MK-0457).html

>  <CAS Number> (5)
639089-54-6

$$$$
Y-27632 2HCL.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (6)
41

>  <Formula> (6)
C14H23Cl2N3O

>  <MolWeight> (6)
320.25792

>  <Item Name> (6)
Y-27632 2HCl

>  <Catalog Number> (6)
S1049

>  <Synonyms> (6)
N/A

>  <Target> (6)
ROCK

>  <Form> (6)
Dihydrochloride

>  <URL> (6)
http://www.selleckchem.com/products/Y-27632.html

>  <CAS Number> (6)
129830-38-2

$$$$
untitled.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (7)
43

>  <Formula> (7)
C21H20N4O3

>  <MolWeight> (7)
376.4085

>  <Item Name> (7)
Entinostat (MS-275, SNDX-275)

>  <Catalog Number> (7)
S1053

>  <Synonyms> (7)
SNDX-275

>  <Target> (7)
HDAC 

>  <Form> (7)
Free Base

>  <URL> (7)
http://www.selleckchem.com/products/MS-275.html

>  <CAS Number> (7)
209783-80-2

$$$$
1.cdx
csChFnd80/07161817302D

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HDAC 

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Danusertib (PHA-739358)

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>  <Synonyms> (16)
N/A 

>  <Target> (16)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (16)
Free Base

>  <URL> (16)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

>  <CAS Number> (16)
827318-97-8

$$$$
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>  <Mol_ID> (17)
87

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Everolimus (RAD001)

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S1120

>  <Synonyms> (17)
Certican, Zortress, Afinitor

>  <Target> (17)
mTOR

>  <Form> (17)
Free Base

>  <URL> (17)
http://www.selleckchem.com/products/Everolimus(RAD001).html

>  <CAS Number> (17)
159351-69-6

$$$$
726169-73-9.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (18)
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>  <Synonyms> (18)
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>  <Target> (18)
HDAC 

>  <Form> (18)
Free Base

>  <URL> (18)
http://www.selleckchem.com/products/MGCD0103(Mocetinostat).html

>  <CAS Number> (18)
726169-73-9

$$$$
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Sirtuin

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Hydrochloride

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http://www.selleckchem.com/products/SRT1720.html

>  <CAS Number> (19)
1001645-58-4

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>  <Mol_ID> (20)
94

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C27H20ClFN4O4

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>  <Item Name> (20)
MLN8237 (Alisertib)

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S1133

>  <Synonyms> (20)
Alisertib

>  <Target> (20)
Aurora Kinase

>  <Form> (20)
Free Base

>  <URL> (20)
http://www.selleckchem.com/products/MLN8237.html

>  <CAS Number> (20)
1028486-01-2

$$$$
AT9283.cdx
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Bcr-Abl, JAK, Aurora Kinase

>  <Form> (21)
Free Base

>  <URL> (21)
http://www.selleckchem.com/products/AT9283.html

>  <CAS Number> (21)
896466-04-9

$$$$
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>  <Mol_ID> (22)
107

>  <Formula> (22)
C26H30FN7O3

>  <MolWeight> (22)
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>  <Item Name> (22)
Barasertib (AZD1152-HQPA)

>  <Catalog Number> (22)
S1147

>  <Synonyms> (22)
AZD1152 

>  <Target> (22)
Aurora Kinase

>  <Form> (22)
Free Base

>  <URL> (22)
http://www.selleckchem.com/products/AZD1152-HQPA.html

>  <CAS Number> (22)
722544-51-6

$$$$
Paclitaxel.cdx
csChFnd80/07161817302D

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Microtubule Associated

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33069-62-4

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Aurora Kinase

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Mesylate

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1146618-41-8

$$$$
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Aurora Kinase, VEGFR

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693228-63-6

$$$$
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N/A 

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p53 

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Free Base

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http://www.selleckchem.com/products/JNJ-26854165.html

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881202-45-5

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csChFnd80/07161817302D

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N/A 

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Flt, Aurora Kinase, VEGFR

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Tartaric Acid 

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http://www.selleckchem.com/products/ENMD-2076.html

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934353-76-1

$$$$
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csChFnd80/07161817302D

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HDAC, EGFR, HER2

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Free Base

>  <URL> (28)
http://www.selleckchem.com/products/CUDC-101.html

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1012054-59-9

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/07161817302D

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>  <Mol_ID> (29)
149

>  <Formula> (29)
C27H30ClNO11

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Doxorubicin (Adriamycin) HCl

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>  <Synonyms> (29)
N/A 

>  <Target> (29)
Topoisomerase

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Hydrochloride

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

>  <CAS Number> (29)
25316-40-9

$$$$
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mTOR 

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Free Base

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http://www.selleckchem.com/products/KU-0063794.html

>  <CAS Number> (30)
938440-64-3

$$$$
2-Methoxyestradiol.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (31)
168

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C19H26O3

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S1233

>  <Synonyms> (31)
2-ME2

>  <Target> (31)
HIF

>  <Form> (31)
Free Base

>  <URL> (31)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

>  <CAS Number> (31)
362-07-2

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/07161817302D

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170

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C6H6N6O2

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Methazolastone, Temodar, Temodal

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DNA/RNA Synthesis

>  <Form> (32)
Free Base

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

>  <CAS Number> (32)
85622-93-1

$$$$
JNJ-7706621.cdx
csChFnd80/07161817302D

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174

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394.3559864

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JNJ-7706621

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S1249

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N/A 

>  <Target> (33)
CDK, Aurora Kinase

>  <Form> (33)
Free Base

>  <URL> (33)
http://www.selleckchem.com/products/JNJ-7706621.html

>  <CAS Number> (33)
443797-96-4

$$$$
WYE-354.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (34)
187

>  <Formula> (34)
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>  <MolWeight> (34)
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S1266

>  <Synonyms> (34)
N/A

>  <Target> (34)
mTOR 

>  <Form> (34)
Free Base

>  <URL> (34)
http://www.selleckchem.com/products/WYE-354.html

>  <CAS Number> (34)
1062169-56-5

$$$$
Cilnidipine.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (35)
202

>  <Formula> (35)
C27H28N2O7

>  <MolWeight> (35)
492.52042

>  <Item Name> (35)
Cilnidipine

>  <Catalog Number> (35)
S1293

>  <Synonyms> (35)
FRC 8653 

>  <Target> (35)
Calcium Channel

>  <Form> (35)
Free Base

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

>  <CAS Number> (35)
132203-70-4

$$$$
Felodipine.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (36)
210

>  <Formula> (36)
C18H19Cl2NO4

>  <MolWeight> (36)
384.25376

>  <Item Name> (36)
Felodipine (Plendil)

>  <Catalog Number> (36)
S1885

>  <Synonyms> (36)
Renedil, Feloday 

>  <Target> (36)
NULL

>  <Form> (36)
Free Base

>  <URL> (36)
http://www.selleckchem.com/products/Felodipine(Plendil).html

>  <CAS Number> (36)
72509-76-3

$$$$
Dexamethasone.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (37)
254

>  <Formula> (37)
C22H29FO5

>  <MolWeight> (37)
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>  <Item Name> (37)
Dexamethasone

>  <Catalog Number> (37)
S1322

>  <Synonyms> (37)
Decadron

>  <Target> (37)
IL Receptor

>  <Form> (37)
Free Base

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

>  <CAS Number> (37)
50-02-2

$$$$
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csChFnd80/07161817302D

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>  <Mol_ID> (38)
295

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C21H25N5O8S2

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539.5819

>  <Item Name> (38)
Nafamostat mesylate

>  <Catalog Number> (38)
S1386

>  <Synonyms> (38)
Futhan, FUT-175

>  <Target> (38)
Proteasome

>  <Form> (38)
Dimesylate

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

>  <CAS Number> (38)
82956-11-4

$$$$
Omeprazole.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (39)
297

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C17H19N3O3S

>  <MolWeight> (39)
345.41606

>  <Item Name> (39)
Omeprazole (Prilosec)

>  <Catalog Number> (39)
S1389

>  <Synonyms> (39)
Losec, Omesec, Prilosec, Zegerid

>  <Target> (39)
Proton Pump, ATPase

>  <Form> (39)
Free Base

>  <URL> (39)
http://www.selleckchem.com/products/Omeprazole.html

>  <CAS Number> (39)
73590-58-6

$$$$
resveratrol.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (40)
301

>  <Formula> (40)
C14H12O3

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228.24328

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Resveratrol

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S1396

>  <Synonyms> (40)
N/A

>  <Target> (40)
Sirtuin

>  <Form> (40)
Free Base

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

>  <CAS Number> (40)
501-36-0

$$$$
S1130.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (41)
306

>  <Formula> (41)
C20H19BrN4O3

>  <MolWeight> (41)
443.29386

>  <Item Name> (41)
YM155 (Sepantronium Bromide)

>  <Catalog Number> (41)
S1130

>  <Synonyms> (41)
N/A

>  <Target> (41)
Survivin

>  <Form> (41)
Bromide

>  <URL> (41)
http://www.selleckchem.com/products/YM155.html

>  <CAS Number> (41)
781661-94-7

$$$$
Droxinostat.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (42)
316

>  <Formula> (42)
C11H14ClNO3

>  <MolWeight> (42)
243.68676

>  <Item Name> (42)
Droxinostat

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S1422

>  <Synonyms> (42)
N/A

>  <Target> (42)
HDAC 

>  <Form> (42)
Free Base

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

>  <CAS Number> (42)
99873-43-5

$$$$
Ranolazine dihydrochloride.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (43)
317

>  <Formula> (43)
C24H35Cl2N3O4

>  <MolWeight> (43)
500.4584

>  <Item Name> (43)
Ranolazine dihydrochloride

>  <Catalog Number> (43)
S1425

>  <Synonyms> (43)
RS 43285-193, RS-43285, Ranexa, renolazine 

>  <Target> (43)
Calcium Channel

>  <Form> (43)
Dihydrochloride

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

>  <CAS Number> (43)
95635-56-6

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/07161817302D

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335

>  <Formula> (44)
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Aurora A Inhibitor I

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S1451

>  <Synonyms> (44)
N/A

>  <Target> (44)
Aurora Kinase

>  <Form> (44)
Free Base

>  <URL> (44)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

>  <CAS Number> (44)
1158838-45-9

$$$$
PHA-6806320.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (45)
338

>  <Formula> (45)
C28H35N7O2

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>  <Item Name> (45)
PHA-680632

>  <Catalog Number> (45)
S1454

>  <Synonyms> (45)
N/A

>  <Target> (45)
Aurora Kinase

>  <Form> (45)
Free Base

>  <URL> (45)
http://www.selleckchem.com/products/PHA-680632.html

>  <CAS Number> (45)
398493-79-3

$$$$
FG-4592.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (46)
343

>  <Formula> (46)
C19H16N2O5

>  <MolWeight> (46)
352.34074

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

>  <Catalog Number> (46)
S1007

>  <Synonyms> (46)
N/A 

>  <Target> (46)
HIF

>  <Form> (46)
Free Base

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

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

$$$$
MC-1568.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (47)
362

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C17H15FN2O3

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MC1568

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1349796-36-6

$$$$
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   10.9035    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (51)
410

>  <Formula> (51)
C25H31N5O4

>  <MolWeight> (51)
465.54474

>  <Item Name> (51)
AZD8055

>  <Catalog Number> (51)
S1555

>  <Synonyms> (51)
N/A 

>  <Target> (51)
mTOR

>  <Form> (51)
Free Base

>  <URL> (51)
http://www.selleckchem.com/products/AZD8055.html

>  <CAS Number> (51)
1009298-09-2

$$$$
EX527.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (52)
411

>  <Formula> (52)
C13H13ClN2O

>  <MolWeight> (52)
248.70812

>  <Item Name> (52)
EX 527

>  <Catalog Number> (52)
S1541

>  <Synonyms> (52)
SEN0014196

>  <Target> (52)
Sirtuin

>  <Form> (52)
Free Base

>  <URL> (52)
http://www.selleckchem.com/products/EX-527.html

>  <CAS Number> (52)
49843-98-3

$$$$
Fasudil HCl.cdx
csChFnd80/07161817302D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    3.9108    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (53)
426

>  <Formula> (53)
C14H18ClN3O2S

>  <MolWeight> (53)
327.82962

>  <Item Name> (53)
Fasudil HCl (HA-1077)

>  <Catalog Number> (53)
S1573

>  <Synonyms> (53)
AT-877 

>  <Target> (53)
ROCK

>  <Form> (53)
Hydrochloride

>  <URL> (53)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

>  <CAS Number> (53)
105628-07-7

$$$$
DYNACIRC (isradipine).cdx
csChFnd80/07161817302D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4165    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    5.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    5.5563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    6.6889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    7.8215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    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  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
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  9  5  2  0  0  0  0
 10 11  1  0  0  0  0
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  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (54)
485

>  <Formula> (54)
C19H21N3O5

>  <MolWeight> (54)
371.38714

>  <Item Name> (54)
Isradipine (Dynacirc)

>  <Catalog Number> (54)
S1662

>  <Synonyms> (54)
DynaCirc, Prescal, PN-200-110, Clivoten, Esradin 

>  <Target> (54)
Calcium Channel

>  <Form> (54)
Free Base

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

>  <CAS Number> (54)
75695-93-1

$$$$
CARBAMAZEPINE (carbamazepine).cdx
csChFnd80/07161817302D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.9370    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1983    2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    3.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    4.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  7  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  8  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 15 16  2  0  0  0  0
 16  4  1  0  0  0  0
  2 17  2  0  0  0  0
  2 18  1  0  0  0  0
M  END
>  <Mol_ID> (55)
503

>  <Formula> (55)
C15H12N2O

>  <MolWeight> (55)
236.26858

>  <Item Name> (55)
Carbamazepine (Carbatrol)

>  <Catalog Number> (55)
S1693

>  <Synonyms> (55)
Equetro, Tegretol, Biston 

>  <Target> (55)
Autophagy,Sodium Channel

>  <Form> (55)
Free Base

>  <URL> (55)
http://www.selleckchem.com/products/Carbamazepine(Carbatrol).html

>  <CAS Number> (55)
298-46-4

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/07161817302D

 21 18  0  0  0  0  0  0  0  0999 V2000
    2.7976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   16.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   13.2726    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5107    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.8951   15.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   13.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   15.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4639   16.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4615   11.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (56)
508

>  <Formula> (56)
C16H31NaO4

>  <MolWeight> (56)
310.40471

>  <Item Name> (56)
Divalproex sodium

>  <Catalog Number> (56)
S1703

>  <Synonyms> (56)
Depakote, Epival

>  <Target> (56)
HDAC

>  <Form> (56)
Sodium Salt

>  <URL> (56)
http://www.selleckchem.com/products/Divalproex-sodium.html

>  <CAS Number> (56)
76584-70-8

$$$$
NIMOTOP (nimodipine).cdx
csChFnd80/07161817302D

 30 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (57)
535

>  <Formula> (57)
C21H26N2O7

>  <MolWeight> (57)
418.44034

>  <Item Name> (57)
Nimodipine (Nimotop)

>  <Catalog Number> (57)
S1747

>  <Synonyms> (57)
Nimotop

>  <Target> (57)
Autophagy,Calcium Channel

>  <Form> (57)
Free Base

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

>  <CAS Number> (57)
66085-59-4

$$$$
Metformin hydrochloride.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (58)
580

>  <Formula> (58)
C4H12ClN5

>  <MolWeight> (58)
165.62458

>  <Item Name> (58)
Metformin hydrochloride (Glucophage)

>  <Catalog Number> (58)
S1950

>  <Synonyms> (58)
Glucophage, Riomet, Diabex

>  <Target> (58)
Others

>  <Form> (58)
Hydrochloride

>  <URL> (58)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

>  <CAS Number> (58)
1115-70-4

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (59)
586

>  <Formula> (59)
C32H37NO8

>  <MolWeight> (59)
563.63808

>  <Item Name> (59)
Tamoxifen Citrate (Nolvadex)

>  <Catalog Number> (59)
S1972

>  <Synonyms> (59)
Istubal

>  <Target> (59)
Estrogen/progestogen Receptor

>  <Form> (59)
Citrate

>  <URL> (59)
http://www.selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

>  <CAS Number> (59)
54965-24-1

$$$$
KW2449.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (60)
671

>  <Formula> (60)
C20H20N4O

>  <MolWeight> (60)
332.399

>  <Item Name> (60)
KW 2449

>  <Catalog Number> (60)
S2158

>  <Synonyms> (60)
N/A

>  <Target> (60)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (60)
Free Base

>  <URL> (60)
http://www.selleckchem.com/products/KW-2449.html

>  <CAS Number> (60)
1000669-72-6

$$$$

csChFnd80/07161817302D

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>  <Mol_ID> (61)
674

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>  <MolWeight> (61)
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>  <Item Name> (61)
ITF2357 (Givinostat)

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S2170

>  <Synonyms> (61)
N/A 

>  <Target> (61)
HDAC 

>  <Form> (61)
Chloride

>  <URL> (61)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

>  <CAS Number> (61)
732302-99-7

$$$$
MLN9708.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (62)
684

>  <Formula> (62)
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>  <MolWeight> (62)
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>  <Item Name> (62)
Ixazomib Citrate (MLN9708)

>  <Catalog Number> (62)
S2181

>  <Synonyms> (62)
N/A

>  <Target> (62)
Proteasome

>  <Form> (62)
Free Base

>  <URL> (62)
http://www.selleckchem.com/products/MLN9708.html

>  <CAS Number> (62)
1201902-80-8

$$$$
ivermectin.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (63)
686

>  <Formula> (63)
C48H74O14

>  <MolWeight> (63)
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>  <Item Name> (63)
Ivermectin

>  <Catalog Number> (63)
S1351

>  <Synonyms> (63)
Stromectol

>  <Target> (63)
Antifection

>  <Form> (63)
Free Base

>  <URL> (63)
http://www.selleckchem.com/products/Ivermectin.html

>  <CAS Number> (63)
70288-86-7

$$$$
SGI 1776 free base.cdx
csChFnd80/07161817302D

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>  <Formula> (64)
C20H22F3N5O

>  <MolWeight> (64)
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SGI-1776 free base

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S2198

>  <Synonyms> (64)
N/A

>  <Target> (64)
Pim

>  <Form> (64)
Free Base

>  <URL> (64)
http://www.selleckchem.com/products/SGI-1776.html

>  <CAS Number> (64)
1025065-69-3

$$$$
PP442.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (65)
708

>  <Formula> (65)
C16H16N6O

>  <MolWeight> (65)
308.33784

>  <Item Name> (65)
Torkinib (PP242)

>  <Catalog Number> (65)
S2218

>  <Synonyms> (65)
TORKinib 

>  <Target> (65)
mTOR

>  <Form> (65)
Free Base

>  <URL> (65)
http://www.selleckchem.com/products/PP242.html

>  <CAS Number> (65)
1092351-67-1

$$$$
AMLODIPINE (amlodipine).cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (66)
739

>  <Formula> (66)
C20H25ClN2O5

>  <MolWeight> (66)
408.8759

>  <Item Name> (66)
Amlodipine (Norvasc)

>  <Catalog Number> (66)
S1905

>  <Synonyms> (66)
Istin, Norvasc, Caduet

>  <Target> (66)
Calcium Channel

>  <Form> (66)
Free Base

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

>  <CAS Number> (66)
88150-42-9

$$$$
Rotundine.cdx
csChFnd80/07161817302D

 27 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (67)
757

>  <Formula> (67)
C21H25NO4

>  <MolWeight> (67)
355.4275

>  <Item Name> (67)
Rotundine

>  <Catalog Number> (67)
S2437

>  <Synonyms> (67)
N/A 

>  <Target> (67)
Dopamine Receptor

>  <Form> (67)
Free Base

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

>  <CAS Number> (67)
483-14-7

$$$$
Parthenolide.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (68)
787

>  <Formula> (68)
C15H20O3

>  <MolWeight> (68)
248.3175

>  <Item Name> (68)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (68)
S2341

>  <Synonyms> (68)
N/A 

>  <Target> (68)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (68)
Free Base

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

>  <CAS Number> (68)
20554-84-1

$$$$
Chrysophanic acid.cdx
csChFnd80/07161817302D

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    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> (69)
804

>  <Formula> (69)
C15H10O4

>  <MolWeight> (69)
254.2375

>  <Item Name> (69)
Chrysophanic acid (Chrysophanol)

>  <Catalog Number> (69)
S2406

>  <Synonyms> (69)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (69)
EGFR, mTOR

>  <Form> (69)
Free Base

>  <URL> (69)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

>  <CAS Number> (69)
481-74-3

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/07161817302D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.7455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    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
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 13 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
M  END
>  <Mol_ID> (70)
809

>  <Formula> (70)
C18H29ClN2O

>  <MolWeight> (70)
324.88866

>  <Item Name> (70)
Bupivacaine hydrochloride (Marcain)

>  <Catalog Number> (70)
S2454

>  <Synonyms> (70)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (70)
Sodium Channel

>  <Form> (70)
Hydrochloride

>  <URL> (70)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

>  <CAS Number> (70)
18010-40-7

$$$$
Clonidine HCl.cdx
csChFnd80/07161817302D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7118    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.5191    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    2.2243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3571    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1203    4.1861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7333    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
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  4 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (71)
814

>  <Formula> (71)
C9H10Cl3N3

>  <MolWeight> (71)
266.5548

>  <Item Name> (71)
Clonidine hydrochloride (Catapres)

>  <Catalog Number> (71)
S2458

>  <Synonyms> (71)
Catapres

>  <Target> (71)
Adrenergic Receptor

>  <Form> (71)
Hydrochloride

>  <URL> (71)
http://www.selleckchem.com/products/Clonidine-hydrochloride(Catapres).html

>  <CAS Number> (71)
4205-91-8

$$$$
Loperamide HCl.cdx
csChFnd80/07161817302D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9051    5.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8850    5.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2675    7.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2775    8.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9252    7.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5629    6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5528    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2373    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2273    6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8649    7.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5126    8.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5227    7.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
  8 14  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
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 23 25  2  0  0  0  0
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 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
 24 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 24  1  0  0  0  0
M  END
>  <Mol_ID> (72)
828

>  <Formula> (72)
C29H34Cl2N2O2

>  <MolWeight> (72)
513.49846

>  <Item Name> (72)
Loperamide hydrochloride

>  <Catalog Number> (72)
S2480

>  <Synonyms> (72)
N/A

>  <Target> (72)
Opioid Receptor

>  <Form> (72)
Hydrochloride

>  <URL> (72)
http://www.selleckchem.com/products/Loperamide-hydrochloride.html

>  <CAS Number> (72)
34552-83-5

$$$$
Manidipine.cdx
csChFnd80/07161817302D

 45 49  0  0  0  0  0  0  0  0999 V2000
    3.6289    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6289    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0000    0.0000 N   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
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   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
    7.2620    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1117    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5324   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075   11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    8.3927    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
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  3 10  1  0  0  0  0
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 40 34  1  0  0  0  0
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 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 35  1  0  0  0  0
M  END
>  <Mol_ID> (73)
829

>  <Formula> (73)
C35H38N4O6

>  <MolWeight> (73)
610.69942

>  <Item Name> (73)
Manidipine (Manyper)

>  <Catalog Number> (73)
S2481

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Free Base

>  <URL> (73)
http://www.selleckchem.com/products/Manidipine(Manyper).html

>  <CAS Number> (73)
89226-50-6

$$$$
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Aurora Kinase

>  <Form> (74)
Free Base

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http://www.selleckchem.com/products/tak-901.html

>  <CAS Number> (74)
934541-31-8

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Aurora Kinase

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Free Base

>  <URL> (75)
http://www.selleckchem.com/products/amg-900.html

>  <CAS Number> (75)
945595-80-2

$$$$
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Free Base

>  <URL> (76)
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>  <CAS Number> (76)
39562-70-4

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74050-98-9

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901-47-3

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N/A

>  <Target> (82)
DNA-PK, mTOR, PDGF

>  <Form> (82)
Free Base

>  <URL> (82)
http://www.selleckchem.com/products/PP121.html

>  <CAS Number> (82)
1092788-83-4

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N/A

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DUB, Bcr-Abl

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Free Base

>  <URL> (83)
http://www.selleckchem.com/products/WP1130.html

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856243-80-6

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>  <Target> (84)
mTOR

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Free Base

>  <URL> (84)
http://www.selleckchem.com/products/wye-125132.html

>  <CAS Number> (84)
1144068-46-1

$$$$
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C29H40N2O9

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>  <Synonyms> (85)
N/A

>  <Target> (85)
HSP

>  <Form> (85)
Free Base

>  <URL> (85)
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>  <CAS Number> (85)
30562-34-6

$$$$
MK-5108.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (86)
1023

>  <Formula> (86)
C22H21ClFN3O3S

>  <MolWeight> (86)
461.9368432

>  <Item Name> (86)
MK-5108 (VX-689)

>  <Catalog Number> (86)
S2770

>  <Synonyms> (86)
N/A 

>  <Target> (86)
Aurora Kinase

>  <Form> (86)
Free Base

>  <URL> (86)
http://www.selleckchem.com/products/mk-5108-vx-689.html

>  <CAS Number> (86)
1010085-13-8

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/07161817302D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (87)
1030

>  <Formula> (87)
C20H22ClN3O2

>  <MolWeight> (87)
371.86058

>  <Item Name> (87)
Tubastatin A hydrochloride

>  <Catalog Number> (87)
S2627 

>  <Synonyms> (87)
N/A

>  <Target> (87)
HDAC

>  <Form> (87)
Hydrochloride

>  <URL> (87)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

>  <CAS Number> (87)
1310693-92-5

$$$$
PF-04691502.cdx
csChFnd80/07161817302D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (88)
1032

>  <Formula> (88)
C22H27N5O4

>  <MolWeight> (88)
425.48088

>  <Item Name> (88)
PF-04691502

>  <Catalog Number> (88)
S2743

>  <Synonyms> (88)
N/A

>  <Target> (88)
mTOR, PI3K, Akt

>  <Form> (88)
Free Base

>  <URL> (88)
http://www.selleckchem.com/products/pf-04691502.html

>  <CAS Number> (88)
1013101-36-4 

$$$$
Lacidipine.cdx
csChFnd80/07161817302D

 33 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (89)
1043

>  <Formula> (89)
C26H33NO6

>  <MolWeight> (89)
455.54332

>  <Item Name> (89)
Lacidipine (Lacipil, Motens)

>  <Catalog Number> (89)
S1994

>  <Synonyms> (89)
Lacipil, Motens

>  <Target> (89)
Calcium Channel 

>  <Form> (89)
Free Base

>  <URL> (89)
http://www.selleckchem.com/products/lacidipine-lacipil-motens.html

>  <CAS Number> (89)
103890-78-4

$$$$
Tetracaine hydrochloride.cdx
csChFnd80/07161817302D

 20 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (90)
1051

>  <Formula> (90)
C15H25ClN2O2

>  <MolWeight> (90)
300.8242

>  <Item Name> (90)
Tetracaine hydrochloride (Pontocaine)

>  <Catalog Number> (90)
S2573 

>  <Synonyms> (90)
N/A 

>  <Target> (90)
Calcium Channel

>  <Form> (90)
Hydrochloride 

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

>  <CAS Number> (90)
136-47-0

$$$$
NVP-BGT226.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (91)
1143

>  <Formula> (91)
C32H29F3N6O6

>  <MolWeight> (91)
650.6044696

>  <Item Name> (91)
NVP-BGT226

>  <Catalog Number> (91)
S2749

>  <Synonyms> (91)
N/A 

>  <Target> (91)
PI3K, mTOR

>  <Form> (91)
Maleate

>  <URL> (91)
http://www.selleckchem.com/products/nvp-bgt226.html

>  <CAS Number> (91)
1245537-68-1

$$$$
Amiodarone hydrochloride.cdx
csChFnd80/07161817302D

 32 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (92)
1147

>  <Formula> (92)
C25H30ClI2NO3

>  <MolWeight> (92)
681.77254

>  <Item Name> (92)
Amiodarone HCl

>  <Catalog Number> (92)
S1979 

>  <Synonyms> (92)
N/A

>  <Target> (92)
Potassium Channel

>  <Form> (92)
Hydrochloride

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

>  <CAS Number> (92)
19774-82-4

$$$$
3-Methyladenine.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (93)
1150

>  <Formula> (93)
C6H7N5

>  <MolWeight> (93)
149.15328

>  <Item Name> (93)
3-Methyladenine (3-MA)

>  <Catalog Number> (93)
S2767

>  <Synonyms> (93)
3-MA

>  <Target> (93)
PI3K

>  <Form> (93)
Free Base

>  <URL> (93)
http://www.selleckchem.com/products/3-methyladenine.html

>  <CAS Number> (93)
5142-23-4

$$$$
CEP-18770.cdx
csChFnd80/07161817302D

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410536-97-9

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Torin 2.cdx
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mTOR

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1223001-51-1

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HDAC

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112522-64-2

$$$$
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csChFnd80/07161817302D

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E3 Ligase ,TNF-alpha

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50-35-1

$$$$
Trifluoperazine dihydrochloride.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (104)
1268

>  <Formula> (104)
C21H26Cl2F3N3S

>  <MolWeight> (104)
480.4174496

>  <Item Name> (104)
Trifluoperazine 2HCl

>  <Catalog Number> (104)
S3201

>  <Synonyms> (104)
 N/A 

>  <Target> (104)
Dopamine Receptor

>  <Form> (104)
Dihydrochlorid

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

>  <CAS Number> (104)
440-17-5

$$$$
carfilzomib(PR-171).cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (105)
1288

>  <Formula> (105)
C40H57N5O7

>  <MolWeight> (105)
719.90988

>  <Item Name> (105)
Carfilzomib (PR-171)

>  <Catalog Number> (105)
S2853

>  <Synonyms> (105)
N/A 

>  <Target> (105)
Proteasome

>  <Form> (105)
Free Base

>  <URL> (105)
http://www.selleckchem.com/products/carfilzomib-pr-171.html

>  <CAS Number> (105)
868540-17-4

$$$$
Azelnidipine.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (106)
1313

>  <Formula> (106)
C33H34N4O6

>  <MolWeight> (106)
582.64626

>  <Item Name> (106)
Azelnidipine

>  <Catalog Number> (106)
S3053

>  <Synonyms> (106)
N/A

>  <Target> (106)
Calcium Channel

>  <Form> (106)
Free Base

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

>  <CAS Number> (106)
123524-52-7

$$$$
Forskolin.cdx
csChFnd80/07161817302D

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C22H34O7

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Forskolin

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S2449

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Coleonol

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cAMP

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Free Base

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

>  <CAS Number> (107)
66575-29-9

$$$$
NU7026.cdx
csChFnd80/07161817302D

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1359

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C17H15NO3

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NU7026

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S2893

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N/A

>  <Target> (108)
DNA-PK

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Free Base

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http://www.selleckchem.com/products/nu7026.html

>  <CAS Number> (108)
154447-35-5

$$$$
IOX2.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (109)
1399

>  <Formula> (109)
C19H16N2O5

>  <MolWeight> (109)
352.34074

>  <Item Name> (109)
IOX2

>  <Catalog Number> (109)
S2919

>  <Synonyms> (109)
N/A

>  <Target> (109)
HIF

>  <Form> (109)
Free Base

>  <URL> (109)
http://www.selleckchem.com/products/iox2.html

>  <CAS Number> (109)
931398-72-0

$$$$
Flunarizine dihydrochloride.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (110)
1442

>  <Formula> (110)
C26H28Cl2F2N2

>  <MolWeight> (110)
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>  <Item Name> (110)
Flunarizine 2HCl

>  <Catalog Number> (110)
S2030

>  <Synonyms> (110)
N/A

>  <Target> (110)
Calcium Channel

>  <Form> (110)
2HCl

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

>  <CAS Number> (110)
30484-77-6

$$$$
Cleviprex.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (111)
1459

>  <Formula> (111)
C21H23Cl2NO6

>  <MolWeight> (111)
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>  <Item Name> (111)
Clevidipine Butyrate

>  <Catalog Number> (111)
S2080

>  <Synonyms> (111)
N/A

>  <Target> (111)
Calcium Channel

>  <Form> (111)
Free Base

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

>  <CAS Number> (111)
167221-71-8

$$$$
Gabexate mesylate.cdx
csChFnd80/07161817302D

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C17H27N3O7S

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Gabexate mesylate

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S2101

>  <Synonyms> (112)
N/A

>  <Target> (112)
Proteasome

>  <Form> (112)
Mesylate

>  <URL> (112)
http://www.selleckchem.com/products/gabexate-mesylate.html

>  <CAS Number> (112)
56974-61-9

$$$$
ARC029(Nilvadipine).cdx
csChFnd80/07161817302D

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1494

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C19H19N3O6

>  <MolWeight> (113)
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>  <Item Name> (113)
Nilvadipine (ARC029)

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S2721

>  <Synonyms> (113)
N/A

>  <Target> (113)
Calcium Channel

>  <Form> (113)
Free Base

>  <URL> (113)
http://www.selleckchem.com/products/nilvadipine-arc029.html

>  <CAS Number> (113)
75530-68-6

$$$$
aspirin.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (114)
1501

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C9H8O4

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180.15742

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Aspirin (Acetylsalicylic acid)

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S3017

>  <Synonyms> (114)
N/A

>  <Target> (114)
COX

>  <Form> (114)
Free Base

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

>  <CAS Number> (114)
50-78-2

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/07161817302D

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>  <MolWeight> (115)
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SMI-4a

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S8005

>  <Synonyms> (115)
N/A

>  <Target> (115)
Pim

>  <Form> (115)
Free Base

>  <URL> (115)
http://www.selleckchem.com/products/smi-4a.html

>  <CAS Number> (115)
438190-29-5

$$$$
ACY-1215.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (116)
1513

>  <Formula> (116)
C24H27N5O3

>  <MolWeight> (116)
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ACY-1215

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S8001

>  <Synonyms> (116)
N/A

>  <Target> (116)
HDAC

>  <Form> (116)
Free Base

>  <URL> (116)
http://www.selleckchem.com/products/rocilinostat-acy-1215.html

>  <CAS Number> (116)
1316214-52-4

$$$$
BAY 11-7082.cdx
csChFnd80/07161817302D

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19542-67-7

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N/A

>  <Target> (118)
p53

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Free Base

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http://www.selleckchem.com/products/tenovin-1.html

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380315-80-0

$$$$
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csChFnd80/07161817302D

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>  <Formula> (119)
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>  <MolWeight> (119)
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N/A

>  <Target> (119)
p53

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HBr

>  <URL> (119)
http://www.selleckchem.com/products/pifithrin-alpha.html

>  <CAS Number> (119)
63208-82-2

$$$$
PF-06405761.cdx
csChFnd80/07161817302D

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>  <MolWeight> (120)
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PF-06405761

>  <Target> (120)
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Free Base

>  <URL> (120)
http://www.selleckchem.com/products/pfl-1.html

>  <CAS Number> (120)
1403764-72-6

$$$$
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1599

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>  <MolWeight> (121)
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Proteasome

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935888-69-0

$$$$
sodium phenylbutyrate.cdx
csChFnd80/07161817302D

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HDAC

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Sodium Salt

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https://www.selleckchem.com/products/sodium-phenylbutyrate.html

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1716-12-7

$$$$
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mTOR

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Free Base

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1207360-89-1

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287383-59-9

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Proteasome

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960374-59-8

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30675-13-9

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314245-33-5

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>  <Target> (137)
Others

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Free Base

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http://www.selleckchem.com/products/gne-0877.html

>  <CAS Number> (137)
1374828-69-9

$$$$
Vincristine Sulfate.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (138)
2226

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C46H58N4O14S

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>  <Item Name> (138)
Vincristine Sulfate

>  <Catalog Number> (138)
S1241

>  <Synonyms> (138)
Leurocristine

>  <Target> (138)
Microtubule Associ

>  <Form> (138)
Free Base

>  <URL> (138)
http://www.selleckchem.com/products/Vincristine-Sulfate.html

>  <CAS Number> (138)
2068-78-2

$$$$
GNE7915.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (139)
2265

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C19H21F4N5O3

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S7528

>  <Synonyms> (139)
N/A

>  <Target> (139)
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>  <Form> (139)
Free Base

>  <URL> (139)
http://www.selleckchem.com/products/gne-7915.html

>  <CAS Number> (139)
1351761-44-8

$$$$
BAY 87-2243.cdx
csChFnd80/07161817302D

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HIF

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http://www.selleckchem.com/products/bay-87-2243.html

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1227158-85-1

$$$$
Temsirolimus.cdx
csChFnd80/07161817302D

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mTOR

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162635-04-3

$$$$
GNE-9605.cdx
csChFnd80/07161817302D

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N/A

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LRRK2

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Free Base

>  <URL> (142)
http://www.selleckchem.com/products/gne-9605.html

>  <CAS Number> (142)
1536200-31-3

$$$$
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csChFnd80/07161817302D

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S4430

>  <Synonyms> (143)
N/A

>  <Target> (143)
Autophagy

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Sulfate

>  <URL> (143)
http://www.selleckchem.com/products/hydroxychloroquine-sulfate.html

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747-36-4

$$$$
Piperlongumine.cdx
csChFnd80/07161817302D

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ROS,CRM

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Free Base

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

>  <CAS Number> (144)
20069-09-4

$$$$
GSK2578215A.cdx
csChFnd80/07161817302D

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LRRK2

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Free Base

>  <URL> (145)
http://www.selleckchem.com/products/gsk2578215a.html

>  <CAS Number> (145)
1285515-21-0

$$$$
MHY1485.cdx
csChFnd80/07161817302D

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mTOR

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326914-06-1

$$$$
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2718

>  <Formula> (152)
C11H10BrN3

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SMER28

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S8240

>  <Synonyms> (152)
N/A

>  <Target> (152)
Autophagy

>  <Form> (152)
Free Base

>  <URL> (152)
http://www.selleckchem.com/products/smer28.html

>  <CAS Number> (152)
307538-42-7

$$$$
MRT68921.cdx
csChFnd80/07161817302D

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xHCl
M  END
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2754

>  <Formula> (153)
C26H36N6O2R

>  <MolWeight> (153)
464.60304

>  <Item Name> (153)
MRT67307 HCl

>  <Catalog Number> (153)
S7948

>  <Synonyms> (153)
N/A

>  <Target> (153)
I¦ÊB/IKK

>  <Form> (153)
hydrochloride

>  <URL> (153)
http://www.selleckchem.com/products/mrt67307.html

>  <CAS Number> (153)
1190378-57-4 (free-base)

$$$$
MRT67307.cdx
csChFnd80/07161817302D

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XHCl
M  END
>  <Mol_ID> (154)
2755

>  <Formula> (154)
C25H34N6OR

>  <MolWeight> (154)
434.57706

>  <Item Name> (154)
MRT68921 HCl

>  <Catalog Number> (154)
S7949

>  <Synonyms> (154)
N/A

>  <Target> (154)
Autophagy

>  <Form> (154)
hydrochloride

>  <URL> (154)
http://www.selleckchem.com/products/mrt68921.html

>  <CAS Number> (154)
1190379-70-4 (free base)

$$$$
3BDO.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (155)
3236

>  <Formula> (155)
C18H17NO5

>  <MolWeight> (155)
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>  <Item Name> (155)
3BDO

>  <Catalog Number> (155)
S8317

>  <Synonyms> (155)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (155)
FKBP1A

>  <Form> (155)
free base

>  <URL> (155)
http://www.selleckchem.com/products/3bdo.html

>  <CAS Number> (155)
890405-51-3

$$$$
Lys05.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (156)
3250

>  <Formula> (156)
C23H26Cl5N5

>  <MolWeight> (156)
549.75104

>  <Item Name> (156)
Lys05

>  <Catalog Number> (156)
S8369

>  <Synonyms> (156)
N/A

>  <Target> (156)
Autophagy

>  <Form> (156)
Trihydrochloride

>  <URL> (156)
http://www.selleckchem.com/products/lys05.html

>  <CAS Number> (156)
1391426-24-6

$$$$
Autophinib.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (157)
3262

>  <Formula> (157)
C14H11ClN6O3

>  <MolWeight> (157)
346.72854

>  <Item Name> (157)
Autophinib

>  <Catalog Number> (157)
S8596

>  <Synonyms> (157)
N/A

>  <Target> (157)
autophagy

>  <Form> (157)
free base

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

>  <CAS Number> (157)
1644443-47-9

$$$$
ROC-325.cdx
csChFnd80/07161817302D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (158)
3280

>  <Formula> (158)
C28H27ClN4OS

>  <MolWeight> (158)
503.05818

>  <Item Name> (158)
ROC-325

>  <Catalog Number> (158)
S8527

>  <Synonyms> (158)
N/A

>  <Target> (158)
Autophagy

>  <Form> (158)
free base

>  <URL> (158)
http://www.selleckchem.com/products/roc-325.html

>  <CAS Number> (158)
1859141-26-6

$$$$
S3606 Fangchinoline.cdx
csChFnd80/07161817302D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (159)
3293

>  <Formula> (159)
C37H40N2O6

>  <MolWeight> (159)
608.7233

>  <Item Name> (159)
Fangchinoline

>  <Catalog Number> (159)
S3606

>  <Synonyms> (159)
N/A

>  <Target> (159)
HIV-1

>  <Form> (159)
free base

>  <URL> (159)
http://www.selleckchem.com/products/fangchinoline.html

>  <CAS Number> (159)
33889-68-8

$$$$
S3652 3-Nitropropionic acid.cdx
csChFnd80/07161817302D

  8  7  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (160)
3342

>  <Formula> (160)
C3H5NO4

>  <MolWeight> (160)
119.0761

>  <Item Name> (160)
3-Nitropropionic acid

>  <Catalog Number> (160)
S3652

>  <Synonyms> (160)
¦Â-Nitropropionic Acid, 3-NP

>  <Target> (160)
mitochondrial respiratory Complex II succin

>  <Form> (160)
free base

>  <URL> (160)
http://www.selleckchem.com/products/3-nitropropionic-acid.html

>  <CAS Number> (160)
504-88-1

$$$$
S3653 Spermidine trihydrochloride.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (161)
3390

>  <Formula> (161)
C7H22Cl3N3

>  <MolWeight> (161)
254.62868

>  <Item Name> (161)
Spermidine trihydrochloride

>  <Catalog Number> (161)
S3653

>  <Synonyms> (161)
 	4-Azaoctamethylenediamine trihydrochloride

>  <Target> (161)
NMDAR,Autophagy

>  <Form> (161)
trihydrochloride

>  <URL> (161)
http://www.selleckchem.com/products/spermidine-trihydrochloride.html

>  <CAS Number> (161)
334-50-9

$$$$
EAD1.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (162)
3432

>  <Formula> (162)
C26H28Cl2F3N7O2

>  <MolWeight> (162)
598.4474296

>  <Item Name> (162)
EAD1

>  <Catalog Number> (162)
S8576

>  <Synonyms> (162)
N/A

>  <Target> (162)
Autophagy

>  <Form> (162)
Trifluoroacetate

>  <URL> (162)
http://www.selleckchem.com/products/ead1.html

>  <CAS Number> (162)
1644388-26-0(free base)

$$$$
Rotenone.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (163)
3436

>  <Formula> (163)
C23H22O6

>  <MolWeight> (163)
394.41718

>  <Item Name> (163)
Rotenone (Barbasco)

>  <Catalog Number> (163)
S2348

>  <Synonyms> (163)
Barbasco, Dactinol, Paraderil, Rotenon, Rotocide

>  <Target> (163)
Antifection

>  <Form> (163)
free base

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

>  <CAS Number> (163)
83-79-4

$$$$
S3941 Pinocembrin.cdx
csChFnd80/07161817302D

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>  <Mol_ID> (164)
3477

>  <Formula> (164)
C15H12O4

>  <MolWeight> (164)
256.25338

>  <Item Name> (164)
Pinocembrin

>  <Catalog Number> (164)
S3941

>  <Synonyms> (164)
Pinocembrin

>  <Target> (164)
Antifection

>  <Form> (164)
free base

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

>  <CAS Number> (164)
480-39-7

$$$$
S3835 Loganin.cdx
csChFnd80/07161817302D

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 22 25  1  6  0  0  0
 23 26  1  0  0  0  0
  4 29  1  1  0  0  0
M  END
>  <Mol_ID> (165)
3520

>  <Formula> (165)
C17H26O10

>  <MolWeight> (165)
390.38234

>  <Item Name> (165)
Loganin

>  <Catalog Number> (165)
S3835

>  <Synonyms> (165)
Loganoside

>  <Target> (165)
AChE,BACE1,BChE

>  <Form> (165)
free base

>  <URL> (165)
http://www.selleckchem.com/products/loganin.html

>  <CAS Number> (165)
18524-94-2

$$$$
S3770 Sodium Aescinate.cdx
csChFnd80/07161817302D

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   24.2487    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (166)
3534

>  <Formula> (166)
C54H83NaO23

>  <MolWeight> (166)
1123.21279

>  <Item Name> (166)
Sodium Aescinate

>  <Catalog Number> (166)
S3770

>  <Synonyms> (166)
Escin sodium salt

>  <Target> (166)
Others

>  <Form> (166)
sodium salt

>  <URL> (166)
http://www.selleckchem.com/products/sodium-aescinate.html

>  <CAS Number> (166)
20977-05-3

$$$$
S3758 Sinomenine hydrochloride.cdx
csChFnd80/07161817302D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW  27 BOND_GSTEREO 4
M  END
>  <Mol_ID> (167)
3543

>  <Formula> (167)
C19H24ClNO4

>  <MolWeight> (167)
365.85116

>  <Item Name> (167)
Sinomenine hydrochloride

>  <Catalog Number> (167)
S3758

>  <Synonyms> (167)
Cucoline hydrochloride, Kukoline hydrochloride, Sabianine A hydrochloride

>  <Target> (167)
Immunology & Inflammation

>  <Form> (167)
hydrochloride

>  <URL> (167)
http://www.selleckchem.com/products/sinomenine-hydrochloride.html

>  <CAS Number> (167)
6080-33-7

$$$$
Tat-beclin 1 (Tat-BECN1).cdx
csChFnd80/07161817302D

267273  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (168)
3620

>  <Formula> (168)
C164H251N57O45

>  <MolWeight> (168)
3741.10264

>  <Item Name> (168)
Tat-beclin 1 (Tat-BECN1)

>  <Catalog Number> (168)
S8595

>  <Synonyms> (168)
N/A

>  <Target> (168)
Beclin 1

>  <Form> (168)
free base

>  <URL> (168)
http://www.selleckchem.com/products/tat-beclin-1-tat-becn1.html

>  <CAS Number> (168)
No

$$$$
S3925 (-)-Epicatechin gallate.cdx
csChFnd80/07161817302D

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M  END
>  <Mol_ID> (169)
3650

>  <Formula> (169)
C22H18O10

>  <MolWeight> (169)
442.37232

>  <Item Name> (169)
(-)-Epicatechin gallate

>  <Catalog Number> (169)
S3925

>  <Synonyms> (169)
(-)-ECG, (-)-Epicatechin 3-gallate, (-)-Epicatechin-3-O-gallate

>  <Target> (169)
Others

>  <Form> (169)
free base

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

>  <CAS Number> (169)
1257-08-5

$$$$
S3922 (-)-epigallocatechin.cdx
csChFnd80/07161817302D

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    9.7054    2.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5020    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9088    4.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2094    4.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9208    1.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  3  7  1  0  0  0  0
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 10 14  2  0  0  0  0
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 18 22  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (170)
3665

>  <Formula> (170)
C15H14O7

>  <MolWeight> (170)
306.26746

>  <Item Name> (170)
(-)-epigallocatechin

>  <Catalog Number> (170)
S3922

>  <Synonyms> (170)
N/A

>  <Target> (170)
Others

>  <Form> (170)
free base

>  <URL> (170)
http://www.selleckchem.com/products/neg-rotation-epigallocatechin.html

>  <CAS Number> (170)
970-74-1

$$$$
S3869 Methyl protocatechuate.cdx
csChFnd80/07161817302D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6226    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    2.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    2.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0450    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    4.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0203    2.7972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2636    2.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (171)
3677

>  <Formula> (171)
C8H8O4

>  <MolWeight> (171)
168.14672

>  <Item Name> (171)
Methyl protocatechuate

>  <Catalog Number> (171)
S3869

>  <Synonyms> (171)
Methyl 3,4-dihydroxybenzoate; 3,4-Dihydroxybenzoic acid methyl ester

>  <Target> (171)
Others

>  <Form> (171)
free base

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

>  <CAS Number> (171)
2150-43-8

$$$$
S5079 Sitagliptin.cdx
csChFnd80/07161817302D

 28 30  0  0  0  0  0  0  0  0999 V2000
   13.4915    2.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1394    3.0969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1394    4.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3137    3.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5345    4.9120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9367    1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7253    4.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5129    5.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9335    5.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3005    4.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6632    5.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9178    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4391    4.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552    7.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6632    6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7253    3.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8756    4.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0880    5.1708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3819    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2640    1.7725    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  6  1  1  0  0  0  0
  3  2  1  0  0  0  0
 12  2  1  0  0  0  0
  9  3  1  0  0  0  0
  5  3  2  0  0  0  0
  5  4  1  0  0  0  0
 22  6  1  0  0  0  0
 23  6  1  0  0  0  0
 24  6  1  0  0  0  0
  7 18  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 20  8  2  0  0  0  0
 21 10  1  0  0  0  0
 11 19  1  0  0  0  0
 14 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 25 14  1  0  0  0  0
 15 16  1  0  0  0  0
 26 15  1  0  0  0  0
 16 17  2  0  0  0  0
 27 16  1  0  0  0  0
 19 21  1  0  0  0  0
 21 28  1  1  0  0  0
M  END
>  <Mol_ID> (172)
3916

>  <Formula> (172)
C16H15F6N5O

>  <MolWeight> (172)
407.3136192

>  <Item Name> (172)
Sitagliptin

>  <Catalog Number> (172)
S5079

>  <Synonyms> (172)
MK-0431

>  <Target> (172)
DPP-4

>  <Form> (172)
free base

>  <URL> (172)
http://selleckchem.com/products/sitagliptin.html

>  <CAS Number> (172)
486460-32-6

$$$$
S4953 Usnic acid.cdx
csChFnd80/07161817302D

 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
    8.4214    3.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6445    1.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    3.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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   10.8681    2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6445    0.0130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    6.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    6.2685    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
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  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
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 15  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 17  1  0  0  0  0
 15 20  2  0  0  0  0
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 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  2  0  0  0  0
M  END
>  <Mol_ID> (173)
3969

>  <Formula> (173)
C18H16O7

>  <MolWeight> (173)
344.31544

>  <Item Name> (173)
Usnic acid

>  <Catalog Number> (173)
S4953

>  <Synonyms> (173)
Usniacin

>  <Target> (173)
Others

>  <Form> (173)
free base

>  <URL> (173)
http://selleckchem.com/products/usnic-acid.html

>  <CAS Number> (173)
125-46-2

$$$$
Sodium valproate.cdx
csChFnd80/07161817302D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (174)
4062

>  <Formula> (174)
C8H15NaO2

>  <MolWeight> (174)
166.19327

>  <Item Name> (174)
Valproic acid sodium salt (Sodium valproate)

>  <Catalog Number> (174)
S1168

>  <Synonyms> (174)
N/A 

>  <Target> (174)
GABA Receptor, HDAC

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

>  <CAS Number> (174)
1069-66-5, 99-66-1 (FREE BASE)

$$$$
