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Bcl-2 

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Free Base

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http://www.selleckchem.com/products/ABT-737.html

>  <CAS Number> (1)
852808-04-9

$$$$
untitled.cdx
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>  <Mol_ID> (2)
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Bortezomib (Velcade)

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MG-341, PS-341

>  <Target> (2)
Proteasome

>  <Form> (2)
Free Base

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

>  <CAS Number> (2)
179324-69-7

$$$$
CI1040.cdx
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>  <Mol_ID> (3)
14

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>  <Target> (3)
MEK 

>  <Form> (3)
Free Base

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

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

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (4)
17

>  <Formula> (4)
C53H84NO14P

>  <MolWeight> (4)
990.206121

>  <Item Name> (4)
Deforolimus (MK-8669) 

>  <Catalog Number> (4)
S1022

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

>  <Target> (4)
mTOR

>  <Form> (4)
Free Base

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

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

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (5)
24

>  <Formula> (5)
C22H29N5O9P2

>  <MolWeight> (5)
569.441282

>  <Item Name> (5)
Motesanib Diphosphate (AMG-706)

>  <Catalog Number> (5)
S1032

>  <Synonyms> (5)
AMG-706

>  <Target> (5)
VEGFR, PDGFR, c-Kit

>  <Form> (5)
Diphosphate

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

>  <CAS Number> (5)
857876-30-3

$$$$
untitled.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (6)
27

>  <Formula> (6)
C16H14F3IN2O4

>  <MolWeight> (6)
482.1930396

>  <Item Name> (6)
PD0325901

>  <Catalog Number> (6)
S1036

>  <Synonyms> (6)
N/A

>  <Target> (6)
MEK 

>  <Form> (6)
Free Base

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

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

$$$$
AR-42.cdx
csChFnd80/07261814112D

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HDAC 

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Flt

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387867-13-2

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STA-4783

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HSP

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488832-69-5

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VER-52296

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HSP

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Free Base

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http://www.selleckchem.com/products/NVP-AUY922.html

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747412-49-3

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52

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C19H21F2N7O2

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ZSTK474

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S1072

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N/A

>  <Target> (12)
PI3K 

>  <Form> (12)
Free Base

>  <URL> (12)
http://www.selleckchem.com/products/ZSTK474.html

>  <CAS Number> (12)
475110-96-4

$$$$

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>  <Mol_ID> (13)
56

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C25H23Cl2N5O

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MK-2206 dihydrochloride

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S1078

>  <Synonyms> (13)
N/A

>  <Target> (13)
Akt

>  <Form> (13)
Dihydrochloride

>  <URL> (13)
http://www.selleckchem.com/products/MK-2206.html

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

$$$$
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csChFnd80/07261814112D

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>  <Mol_ID> (14)
60

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Brivanib (BMS-540215)

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N/A 

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VEGFR, FGFR

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Free Base

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

>  <CAS Number> (14)
649735-46-6

$$$$
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755038-02-9

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Phospholipase

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172732-68-2

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Bcr-Abl, JAK, Aurora Kinase

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896466-04-9

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Andarine (GTX-007)

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GTX-007

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Androgen Receptor 

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Free Base

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

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401900-40-1

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649735-63-7

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NSC 707545 

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HSP

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Hydrochloride

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http://www.selleckchem.com/products/17-DMAG,Hydrochloride-Salt.html

>  <CAS Number> (28)
467214-21-7

$$$$
untitled.cdx
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BMS-387032

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CDK 

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Free Base

>  <URL> (29)
http://www.selleckchem.com/products/SNS-032.html

>  <CAS Number> (29)
345627-80-7

$$$$
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Aurora Kinase

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Mesylate

>  <URL> (30)
http://www.selleckchem.com/products/SNS-314.html

>  <CAS Number> (30)
1146618-41-8

$$$$
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>  <Mol_ID> (31)
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Free Base

>  <URL> (31)
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>  <CAS Number> (31)
141430-65-1

$$$$
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M  END
>  <Mol_ID> (37)
130

>  <Formula> (37)
C21H25N7

>  <MolWeight> (37)
375.4701

>  <Item Name> (37)
ENMD-2076

>  <Catalog Number> (37)
S1181

>  <Synonyms> (37)
N/A 

>  <Target> (37)
Flt, Aurora Kinase, VEGFR

>  <Form> (37)
Tartaric Acid 

>  <URL> (37)
http://www.selleckchem.com/products/ENMD-2076.html

>  <CAS Number> (37)
934353-76-1

$$$$
Danoprevir (RG7227,ITMN-191,RO5190591).cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (38)
131

>  <Formula> (38)
C35H46FN5O9S

>  <MolWeight> (38)
731.8312432

>  <Item Name> (38)
Danoprevir (ITMN-191)

>  <Catalog Number> (38)
S1183

>  <Synonyms> (38)
RG7227, ITMN-191, RO5190591

>  <Target> (38)
Proteasome, HCV Protease

>  <Form> (38)
Free Base

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

>  <CAS Number> (38)
850876-88-9, 916881-67-9, 1001913-18-3, 1225266-12-5

$$$$
Ostarine(MK-2866).cdx
csChFnd80/07261814112D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (39)
133

>  <Formula> (39)
C19H14F3N3O3

>  <MolWeight> (39)
389.3279696

>  <Item Name> (39)
MK-2866 (GTx-024)

>  <Catalog Number> (39)
S1174

>  <Synonyms> (39)
Enobosarm, ostarine

>  <Target> (39)
Androgen Receptor

>  <Form> (39)
Free Base

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

>  <CAS Number> (39)
841205-47-8

$$$$
OSI-930.cdx
csChFnd80/07261814112D

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c-Kit, VEGFR

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Free Base

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http://www.selleckchem.com/products/OSI-930.html

>  <CAS Number> (40)
728033-96-3

$$$$
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S1233

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2-ME2

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HIF

>  <Form> (41)
Free Base

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

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

$$$$
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182

>  <Formula> (42)
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S1037

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NSC639966

>  <Target> (42)
Akt

>  <Form> (42)
Free Base

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

>  <CAS Number> (42)
157716-52-4

$$$$
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Topoisomerase

>  <Form> (43)
Free Base

>  <URL> (43)
http://www.selleckchem.com/products/Camptothecine.html

>  <CAS Number> (43)
7689-03-4

$$$$
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1262036-50-9

$$$$
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875337-44-3

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319

>  <Formula> (49)
C7H10NNaO7P2

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>  <Item Name> (49)
Risedronate sodium

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S1428

>  <Synonyms> (49)
Actonel

>  <Target> (49)
Others

>  <Form> (49)
Sodium salt

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

>  <CAS Number> (49)
115436-72-1

$$$$
Tipifarnib.cdx
csChFnd80/07261814112D

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337

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C27H22Cl2N4O

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489.39578

>  <Item Name> (50)
Tipifarnib (Zarnestra)

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S1453

>  <Synonyms> (50)
R115777

>  <Target> (50)
Farnesyltransferase, Ras

>  <Form> (50)
Free Base

>  <URL> (50)
http://www.selleckchem.com/products/Tipifarnib(R115777).html

>  <CAS Number> (50)
192185-72-1

$$$$
HMN-214.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (51)
363

>  <Formula> (51)
C22H20N2O5S

>  <MolWeight> (51)
424.4696

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HMN-214

>  <Catalog Number> (51)
S1485

>  <Synonyms> (51)
N/A

>  <Target> (51)
PLK 

>  <Form> (51)
Free Base

>  <URL> (51)
http://www.selleckchem.com/products/HMN-214.html

>  <CAS Number> (51)
173529-46-9 

$$$$
AEE-788.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (52)
364

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C27H32N6

>  <MolWeight> (52)
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AEE788 (NVP-AEE788)

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S1486

>  <Synonyms> (52)
N/A 

>  <Target> (52)
EGFR, Flt, VEGFR, HER2

>  <Form> (52)
Free Base

>  <URL> (52)
http://www.selleckchem.com/products/AEE788.html

>  <CAS Number> (52)
497839-62-0

$$$$
PHA-793887.cdx
csChFnd80/07261814112D

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mTOR

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1009298-09-2

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286370-15-8

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866541-93-7

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Bcr-Abl

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1020172-07-9

$$$$
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Free Base

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http://www.selleckchem.com/products/Beta-Carotene.html

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7235-40-7

$$$$
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M  END
>  <Mol_ID> (66)
571

>  <Formula> (66)
C15H10O4

>  <MolWeight> (66)
254.2375

>  <Item Name> (66)
Daidzein

>  <Catalog Number> (66)
S1849

>  <Synonyms> (66)
N/A

>  <Target> (66)
Others

>  <Form> (66)
Free Base

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

>  <CAS Number> (66)
486-66-8 

$$$$
Silymarin.cdx
csChFnd80/07261814112D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (67)
603

>  <Formula> (67)
C25H22O10

>  <MolWeight> (67)
482.43618

>  <Item Name> (67)
Silymarin (Silybin B)

>  <Catalog Number> (67)
S2358

>  <Synonyms> (67)
Silybin B, Silibinin B

>  <Target> (67)
NULL

>  <Form> (67)
Free Base

>  <URL> (67)
http://www.selleckchem.com/products/Silymarin(Silybin-B).html

>  <CAS Number> (67)
65666-07-1

$$$$
Tanshinone I.cdx
csChFnd80/07261814112D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
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 14  8  1  0  0  0  0
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 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (68)
608

>  <Formula> (68)
C18H12O3

>  <MolWeight> (68)
276.28608

>  <Item Name> (68)
Tanshinone I

>  <Catalog Number> (68)
S2364

>  <Synonyms> (68)
N/A

>  <Target> (68)
Others

>  <Form> (68)
Free Base

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

>  <CAS Number> (68)
568-73-0

$$$$
Tanshinone IIA.cdx
csChFnd80/07261814112D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    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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 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (69)
609

>  <Formula> (69)
C19H18O3

>  <MolWeight> (69)
294.34442

>  <Item Name> (69)
Tanshinone IIA (Tanshinone B)

>  <Catalog Number> (69)
S2365

>  <Synonyms> (69)
Tanshinone B, Tanshinone II

>  <Target> (69)
Lipase

>  <Form> (69)
Free Base

>  <URL> (69)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

>  <CAS Number> (69)
568-72-9

$$$$
Ursolic acid.cdx
csChFnd80/07261814112D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (70)
613

>  <Formula> (70)
C30H48O3

>  <MolWeight> (70)
456.70032

>  <Item Name> (70)
Ursolic acid (Malol)

>  <Catalog Number> (70)
S2370

>  <Synonyms> (70)
Malol, Prunol, Urson

>  <Target> (70)
Others

>  <Form> (70)
Free Base

>  <URL> (70)
http://www.selleckchem.com/products/Ursolic-acid(Malol).html

>  <CAS Number> (70)
77-52-1

$$$$
Gastrodin.cdx
csChFnd80/07261814112D

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S2383

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Gastrodine

>  <Target> (71)
Others

>  <Form> (71)
Free Base

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

>  <CAS Number> (71)
62499-27-8 

$$$$
Indirubin.cdx
csChFnd80/07261814112D

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C16H10N2O2

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Indirubin

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S2386

>  <Synonyms> (72)
N/A

>  <Target> (72)
GSK-3

>  <Form> (72)
Free Base

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

>  <CAS Number> (72)
479-41-4 

$$$$
Polydatin.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (73)
633

>  <Formula> (73)
C20H22O8

>  <MolWeight> (73)
390.38388

>  <Item Name> (73)
Polydatin(Piceid)

>  <Catalog Number> (73)
S2390

>  <Synonyms> (73)
Piceid, 3,4,5-Tsg, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside 

>  <Target> (73)
Phospholipase (e.g. PLA)

>  <Form> (73)
Free Base

>  <URL> (73)
http://www.selleckchem.com/products/Polydatin(Piceid).html

>  <CAS Number> (73)
65914-17-2

$$$$
Naringenin.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (74)
637

>  <Formula> (74)
C15H12O5

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272.25278

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Naringenin

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S2394

>  <Synonyms> (74)
N/A

>  <Target> (74)
P450

>  <Form> (74)
Free Base

>  <URL> (74)
http://www.selleckchem.com/products/Naringenin.html

>  <CAS Number> (74)
480-41-1

$$$$
AZD8330.cdx
csChFnd80/07261814112D

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655

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AZD8330

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S2134

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MEK

>  <Form> (75)
Free Base

>  <URL> (75)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

>  <CAS Number> (75)
869357-68-6

$$$$
Creatinine.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (80)
674

>  <Formula> (80)
C24H30ClN3O5

>  <MolWeight> (80)
475.9651

>  <Item Name> (80)
ITF2357 (Givinostat)

>  <Catalog Number> (80)
S2170

>  <Synonyms> (80)
N/A 

>  <Target> (80)
HDAC 

>  <Form> (80)
Chloride

>  <URL> (80)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

>  <CAS Number> (80)
732302-99-7

$$$$
SB743921.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (81)
685

>  <Formula> (81)
C31H34Cl2N2O3

>  <MolWeight> (81)
553.51926

>  <Item Name> (81)
SB743921 HCl

>  <Catalog Number> (81)
S2182 

>  <Synonyms> (81)
N/A

>  <Target> (81)
Kinesin

>  <Form> (81)
Hydrochloride

>  <URL> (81)
http://www.selleckchem.com/products/SB-743921.html

>  <CAS Number> (81)
940929-33-9

$$$$
ivermectin.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (82)
686

>  <Formula> (82)
C48H74O14

>  <MolWeight> (82)
875.09276

>  <Item Name> (82)
Ivermectin

>  <Catalog Number> (82)
S1351

>  <Synonyms> (82)
Stromectol

>  <Target> (82)
Antifection

>  <Form> (82)
Free Base

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

>  <CAS Number> (82)
70288-86-7

$$$$
Avasimibe.cdx
csChFnd80/07261814112D

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JAK 

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1056634-68-4

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4-MU

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Others

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Free Base

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http://www.selleckchem.com/products/4-Methylumbelliferone(4-MU).html

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90-33-5

$$$$
Andrographolide.cdx
csChFnd80/07261814112D

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NF-¦ÊB

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Free Base

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

>  <CAS Number> (92)
5508-58-7

$$$$
Apigenin.cdx
csChFnd80/07261814112D

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C15H10O5

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Apigenin

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N/A

>  <Target> (93)
P450

>  <Form> (93)
Free Base

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

>  <CAS Number> (93)
520-36-5

$$$$
Arbutin.cdx
csChFnd80/07261814112D

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C12H16O7

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Uva, Ursi, p-Arbutin, Hydroquinone ¦Â-D-glucopyranoside 

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Estrogen/progestogen Receptor

>  <Form> (94)
Free Base

>  <URL> (94)
http://www.selleckchem.com/products/Arbutin(Uva,-p-Arbutin).html

>  <CAS Number> (94)
497-76-7

$$$$
Baicalein.cdx
csChFnd80/07261814112D

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C15H10O5

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Baicalein

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P450

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>  <URL> (95)
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>  <CAS Number> (95)
491-67-8

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PNU200577.cdx
csChFnd80/07261814112D

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726

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>  <Target> (96)
AChR 

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207679-81-0

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VX 765.cdx
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 23 15  1  0  0  0  0
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 29 32  2  0  0  0  0
 31 33  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (97)
729

>  <Formula> (97)
C24H33ClN4O6

>  <MolWeight> (97)
508.99502

>  <Item Name> (97)
Belnacasan (VX-765)

>  <Catalog Number> (97)
S2228

>  <Synonyms> (97)
N/A

>  <Target> (97)
Caspase

>  <Form> (97)
Free Base

>  <URL> (97)
http://www.selleckchem.com/products/VX-765.html

>  <CAS Number> (97)
273404-37-8

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/07261814112D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
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  2 22  1  0  0  0  0
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  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (98)
731

>  <Formula> (98)
C20H18ClNO4

>  <MolWeight> (98)
371.81422

>  <Item Name> (98)
Berberine chloride

>  <Catalog Number> (98)
S2271

>  <Synonyms> (98)
N/A

>  <Target> (98)
Antifection

>  <Form> (98)
chloride

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

>  <CAS Number> (98)
633-65-8

$$$$
Bilobalide.cdx
csChFnd80/07261814112D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.2921    5.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    3.4147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9921    3.4147    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4247    4.7462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1595    2.0832    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2921    1.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4247    2.0832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1247    2.5918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2574    3.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8247    4.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    4.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    3.4147    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
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  4  9  1  0  0  0  0
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 10 11  1  0  0  0  0
  5 11  1  6  0  0  0
  3 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 14  1  6  0  0  0
 13 15  2  0  0  0  0
  2 16  2  0  0  0  0
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  6 25  1  1  0  0  0
M  END
>  <Mol_ID> (99)
733

>  <Formula> (99)
C15H18O8

>  <MolWeight> (99)
326.29862

>  <Item Name> (99)
Bilobalide

>  <Catalog Number> (99)
S2276

>  <Synonyms> (99)
N/A

>  <Target> (99)
Others

>  <Form> (99)
Free Base

>  <URL> (99)
http://www.selleckchem.com/products/Bilobalide.html

>  <CAS Number> (99)
33570-04-6

$$$$
Caffeic acid.cdx
csChFnd80/07261814112D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8582    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
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  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (100)
734

>  <Formula> (100)
C9H8O4

>  <MolWeight> (100)
180.15742

>  <Item Name> (100)
Caffeic acid

>  <Catalog Number> (100)
S2277

>  <Synonyms> (100)
N/A

>  <Target> (100)
Others

>  <Form> (100)
Free Base

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

>  <CAS Number> (100)
331-39-5

$$$$
Chlorogenic acid.cdx
csChFnd80/07261814112D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6742    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  6  0  0  0
  4  9  1  1  0  0  0
  6 10  1  1  0  0  0
  6 11  1  6  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (101)
735

>  <Formula> (101)
C16H18O9

>  <MolWeight> (101)
354.30872

>  <Item Name> (101)
Chlorogenic acid

>  <Catalog Number> (101)
S2280

>  <Synonyms> (101)
N/A

>  <Target> (101)
Others

>  <Form> (101)
Free Base

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

>  <CAS Number> (101)
327-97-9

$$$$
Diosmin.cdx
csChFnd80/07261814112D

 43 47  0  0  0  0  0  0  0  0999 V2000
    1.2082   11.8830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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744

>  <Formula> (102)
C28H32O15

>  <MolWeight> (102)
608.54468

>  <Item Name> (102)
Diosmin

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S2292

>  <Synonyms> (102)
N/A

>  <Target> (102)
Others

>  <Form> (102)
Free Base

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

>  <CAS Number> (102)
520-27-4

$$$$
Emodin.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (103)
747

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C15H10O5

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270.2369

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Emodin

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S2295

>  <Synonyms> (103)
N/A

>  <Target> (103)
Dehydrogenase

>  <Form> (103)
Free Base

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

>  <CAS Number> (103)
518-82-1

$$$$
Fisetin.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (104)
751

>  <Formula> (104)
C15H10O6

>  <MolWeight> (104)
286.2363

>  <Item Name> (104)
Fisetin (Fustel)

>  <Catalog Number> (104)
S2298

>  <Synonyms> (104)
Fustel, Viset

>  <Target> (104)
Sirtuin

>  <Form> (104)
Free Base

>  <URL> (104)
http://www.selleckchem.com/products/Fisetin(Fustel).html

>  <CAS Number> (104)
528-48-3

$$$$
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csChFnd80/07261814112D

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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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  2 23  1  1  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 18 26  1  1  0  0  0
 17 27  1  1  0  0  0
 21 28  1  1  0  0  0
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  3 32  1  0  0  0  0
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 23 34  1  0  0  0  0
 34 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
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 39 34  1  0  0  0  0
 21 40  1  6  0  0  0
 11 41  1  6  0  0  0
 10 42  1  6  0  0  0
  4 43  1  6  0  0  0
 37 44  1  6  0  0  0
 39 45  1  6  0  0  0
 45 46  1  0  0  0  0
 46 47  1  1  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 46  1  0  0  0  0
 36 52  1  1  0  0  0
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 50 54  1  1  0  0  0
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 52 61  2  0  0  0  0
M  END
>  <Mol_ID> (105)
754

>  <Formula> (105)
C42H62O16

>  <MolWeight> (105)
822.93208

>  <Item Name> (105)
Glycyrrhizin (Glycyrrhizic Acid)

>  <Catalog Number> (105)
S2302

>  <Synonyms> (105)
N/A

>  <Target> (105)
Others

>  <Form> (105)
Free Base

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

>  <CAS Number> (105)
1405-86-3

$$$$
Hesperidin.cdx
csChFnd80/07261814112D

 43 47  0  0  0  0  0  0  0  0999 V2000
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    8.4870    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 10  8  1  1  0  0  0
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M  END
>  <Mol_ID> (106)
760

>  <Formula> (106)
C28H34O15

>  <MolWeight> (106)
610.56056

>  <Item Name> (106)
Hesperidin

>  <Catalog Number> (106)
S2309

>  <Synonyms> (106)
N/A

>  <Target> (106)
NULL

>  <Form> (106)
Free Base

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

>  <CAS Number> (106)
520-26-3

$$$$
Honokiol.cdx
csChFnd80/07261814112D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (107)
761

>  <Formula> (107)
C18H18O2

>  <MolWeight> (107)
266.33432

>  <Item Name> (107)
Honokiol

>  <Catalog Number> (107)
S2310

>  <Synonyms> (107)
N/A

>  <Target> (107)
Akt, MEK

>  <Form> (107)
Free Base

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

>  <CAS Number> (107)
35354-74-6

$$$$
Hyodeoxycholic acid.cdx
csChFnd80/07261814112D

 32 35  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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 17 12  1  0  0  0  0
  5 18  1  1  0  0  0
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 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
  2 23  1  6  0  0  0
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 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 22 27  1  6  0  0  0
 22 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
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (108)
762

>  <Formula> (108)
C24H40O4

>  <MolWeight> (108)
392.572

>  <Item Name> (108)
Hyodeoxycholic acid (HDCA)

>  <Catalog Number> (108)
S2311

>  <Synonyms> (108)
3¦Á,6¦Á-Dihydroxy-5¦Â-cholan-24-oic acid, HDCA 

>  <Target> (108)
Others

>  <Form> (108)
Free Base

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

>  <CAS Number> (108)
83-49-8

$$$$
Icariin.cdx
csChFnd80/07261814112D

 48 52  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.3326    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3326    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3326    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746   12.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532   10.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532   11.8927    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
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  4  7  1  6  0  0  0
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 14  9  2  0  0  0  0
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 24 25  1  0  0  0  0
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  1 32  1  1  0  0  0
  3 33  1  1  0  0  0
 24 34  1  1  0  0  0
  2 35  1  6  0  0  0
 26 36  1  6  0  0  0
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 32 39  1  0  0  0  0
 11 40  1  0  0  0  0
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 29 47  1  0  0  0  0
 47 48  1  0  0  0  0
M  END
>  <Mol_ID> (109)
763

>  <Formula> (109)
C33H40O15

>  <MolWeight> (109)
676.6617

>  <Item Name> (109)
Icariin

>  <Catalog Number> (109)
S2312

>  <Synonyms> (109)
N/A

>  <Target> (109)
PDE

>  <Form> (109)
Free Base

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

>  <CAS Number> (109)
489-32-7

$$$$
Indole-3-carbinol.cdx
csChFnd80/07261814112D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (110)
764

>  <Formula> (110)
C9H9NO

>  <MolWeight> (110)
147.17386

>  <Item Name> (110)
Indole-3-carbinol

>  <Catalog Number> (110)
S2313

>  <Synonyms> (110)
N/A

>  <Target> (110)
NF-¦ÊB

>  <Form> (110)
Free Base

>  <URL> (110)
http://www.selleckchem.com/products/Indole-3-carbinol.html

>  <CAS Number> (110)
700-06-1

$$$$
Kinetin.cdx
csChFnd80/07261814112D

 16 18  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    7.1180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    7.1180    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
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (111)
766

>  <Formula> (111)
C10H9N5O

>  <MolWeight> (111)
215.21136

>  <Item Name> (111)
Kinetin (6-Furfuryladenine)

>  <Catalog Number> (111)
S2316

>  <Synonyms> (111)
6-Furfuryladenine, N6-Furfuryladenine, 6-Furfurylaminopurine,Cytokinin 

>  <Target> (111)
Others

>  <Form> (111)
Free Base

>  <URL> (111)
http://www.selleckchem.com/products/Kinetin(6-Furfuryladenine).html

>  <CAS Number> (111)
525-79-1

$$$$
Luteolin.cdx
csChFnd80/07261814112D

 21 23  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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    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (112)
769

>  <Formula> (112)
C15H10O6

>  <MolWeight> (112)
286.2363

>  <Item Name> (112)
Luteolin

>  <Catalog Number> (112)
S2320

>  <Synonyms> (112)
3',4',5,7-Tetrahydroxyflavone, Luteoline, Luteolol

>  <Target> (112)
PDE

>  <Form> (112)
Free Base

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

>  <CAS Number> (112)
491-70-3 

$$$$
Oleanolic Acid.cdx
csChFnd80/07261814112D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    3.6331    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4207    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10  5  1  0  0  0  0
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 21 25  1  0  0  0  0
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  2 30  1  1  0  0  0
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 18 33  1  1  0  0  0
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 10 35  1  6  0  0  0
 11 36  1  6  0  0  0
M  END
>  <Mol_ID> (113)
781

>  <Formula> (113)
C30H48O3

>  <MolWeight> (113)
456.70032

>  <Item Name> (113)
Oleanolic Acid (Caryophyllin)

>  <Catalog Number> (113)
S2334

>  <Synonyms> (113)
Caryophyllin, Astrantiagenin C, Giganteumgenin C, Virgaureagenin B 

>  <Target> (113)
Antifection

>  <Form> (113)
Free Base

>  <URL> (113)
http://www.selleckchem.com/products/Oleanolic-Acid(Caryophyllin).html

>  <CAS Number> (113)
508-02-1

$$$$
Oxymatrine.cdx
csChFnd80/07261814112D

 23 26  0  0  0  0  0  0  0  0999 V2000
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    2.4249    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    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
    3.6373    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 N   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
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    7.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 11 19  1  1  0  0  0
  5 20  1  6  0  0  0
 10 21  1  6  0  0  0
  6 22  1  6  0  0  0
  4 23  1  0  0  0  0
M  END
>  <Mol_ID> (114)
785

>  <Formula> (114)
C15H24N2O2

>  <MolWeight> (114)
264.36326

>  <Item Name> (114)
Oxymatrine (Matrine N-oxide)

>  <Catalog Number> (114)
S2338

>  <Synonyms> (114)
Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide 

>  <Target> (114)
Others

>  <Form> (114)
Free Base

>  <URL> (114)
http://www.selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

>  <CAS Number> (114)
16837-52-8 

$$$$
Parthenolide.cdx
csChFnd80/07261814112D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    3.4240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.4240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    1.3546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    2.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    2.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0183    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  6  0  0  0
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 12 13  1  0  0  0  0
  8 13  1  1  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (115)
787

>  <Formula> (115)
C15H20O3

>  <MolWeight> (115)
248.3175

>  <Item Name> (115)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (115)
S2341

>  <Synonyms> (115)
N/A 

>  <Target> (115)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (115)
Free Base

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

>  <CAS Number> (115)
20554-84-1

$$$$
Puerarin.cdx
csChFnd80/07261814112D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.6700    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3892    3.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7890    3.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4697    4.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7504    6.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3506    5.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2702    4.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5896    3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3088    2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7086    2.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1946    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5535    5.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8646    4.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5058    2.3894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4754    4.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0756    4.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3950    3.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1142    2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9056    2.4117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    3.4305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6347    1.2166    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0343    1.2166    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7048    2.4117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0343    3.6069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6347    3.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0999    2.4117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9518    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7393    4.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7393    0.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0492    6.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  2  0  0  0  0
  4 13  1  0  0  0  0
  3 14  1  0  0  0  0
 11 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 11  1  0  0  0  0
 20 14  1  6  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 24 27  1  1  0  0  0
 22 28  1  1  0  0  0
 25 29  1  6  0  0  0
 23 30  1  6  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (116)
791

>  <Formula> (116)
C21H20O10

>  <MolWeight> (116)
432.3775

>  <Item Name> (116)
Puerarin (Kakonein)

>  <Catalog Number> (116)
S2346

>  <Synonyms> (116)
NPI-31G 

>  <Target> (116)
5-HT Receptor

>  <Form> (116)
Free Base

>  <URL> (116)
http://www.selleckchem.com/products/Puerarin(Kakonein).html

>  <CAS Number> (116)
3681-99-0

$$$$
Quercetin dihydrate.cdx
csChFnd80/07261814112D

 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> (117)
792

>  <Formula> (117)
C15H14O9

>  <MolWeight> (117)
338.26626

>  <Item Name> (117)
Quercetin dihydrate (Sophoretin)

>  <Catalog Number> (117)
S2347

>  <Synonyms> (117)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (117)
Others

>  <Form> (117)
Dihydrate

>  <URL> (117)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

>  <CAS Number> (117)
6151-25-3

$$$$
Isoliquiritigenin.cdx
csChFnd80/07261814112D

 19 20  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 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  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
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (118)
802

>  <Formula> (118)
C15H12O4

>  <MolWeight> (118)
256.25338

>  <Item Name> (118)
Isoliquiritigenin

>  <Catalog Number> (118)
S2404

>  <Synonyms> (118)
N/A

>  <Target> (118)
Others

>  <Form> (118)
Free Base

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

>  <CAS Number> (118)
961-29-5

$$$$
Curcumol.cdx
csChFnd80/07261814112D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (119)
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Curcumol

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N/A

>  <Target> (119)
JAK

>  <Form> (119)
Free Base

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

>  <CAS Number> (119)
4871-97-0

$$$$
Dehydroepiandrosterone.cdx
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>  <Formula> (120)
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S2604

>  <Synonyms> (120)
DHEA

>  <Target> (120)
Androgen Receptor

>  <Form> (120)
Free Base

>  <URL> (120)
http://www.selleckchem.com/products/Dehydroepiandrosterone(DHEA).html

>  <CAS Number> (120)
53-43-0

$$$$
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>  <Formula> (121)
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>  <MolWeight> (121)
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S2718

>  <Synonyms> (121)
N/A

>  <Target> (121)
Aurora Kinase

>  <Form> (121)
Free Base

>  <URL> (121)
http://www.selleckchem.com/products/tak-901.html

>  <CAS Number> (121)
934541-31-8

$$$$
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>  <Mol_ID> (122)
837

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C25H24F2N2O3

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>  <Item Name> (122)
Turofexorate Isopropyl (XL335)

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N/A

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FXR

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Free Base

>  <URL> (122)
http://www.selleckchem.com/products/way-362450.html

>  <CAS Number> (122)
629664-81-9

$$$$
AMG900.cdx
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>  <Mol_ID> (123)
838

>  <Formula> (123)
C28H21N7OS

>  <MolWeight> (123)
503.57764

>  <Item Name> (123)
AMG 900

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S2719

>  <Synonyms> (123)
N/A

>  <Target> (123)
Aurora Kinase

>  <Form> (123)
Free Base

>  <URL> (123)
http://www.selleckchem.com/products/amg-900.html

>  <CAS Number> (123)
945595-80-2

$$$$
Nxy-059.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (124)
887

>  <Formula> (124)
C11H13NNa2O7S2

>  <MolWeight> (124)
381.33296

>  <Item Name> (124)
NXY-059 (Disufenton sodium)

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S6002

>  <Synonyms> (124)
Cerovive, Disufenton Sodium

>  <Target> (124)
Others

>  <Form> (124)
Disodium salt

>  <URL> (124)
http://www.selleckchem.com/products/NXY-059.html

>  <CAS Number> (124)
168021-79-2

$$$$
untitled.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (125)
889

>  <Formula> (125)
C19H12F4N4O2

>  <MolWeight> (125)
404.3177928

>  <Item Name> (125)
VX-702

>  <Catalog Number> (125)
S6005

>  <Synonyms> (125)
N/A

>  <Target> (125)
p38 MAPK 

>  <Form> (125)
Free Base

>  <URL> (125)
http://www.selleckchem.com/products/VX-702.html

>  <CAS Number> (125)
745833-23-2

$$$$
Ketanserin.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (126)
895

>  <Formula> (126)
C22H22FN3O3

>  <MolWeight> (126)
395.4267832

>  <Item Name> (126)
Ketanserin (Vulketan Gel)

>  <Catalog Number> (126)
S2232

>  <Synonyms> (126)
R 41468, Vulketan Gel

>  <Target> (126)
5-HT Receptor

>  <Form> (126)
Free Base

>  <URL> (126)
http://www.selleckchem.com/products/Ketanserin-Vulketan-Gel.html

>  <CAS Number> (126)
74050-98-9

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/07261814112D

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>  <Mol_ID> (127)
898

>  <Formula> (127)
C20H16ClN5O3

>  <MolWeight> (127)
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>  <Item Name> (127)
Telatinib (BAY 57-9352)

>  <Catalog Number> (127)
S2231

>  <Synonyms> (127)
N/A 

>  <Target> (127)
VEGFR, PDGFR, c-Kit

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Free Base

>  <URL> (127)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

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332012-40-5

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N/A 

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CDK

>  <Form> (128)
Free Base

>  <URL> (128)
http://www.selleckchem.com/products/AZD5438.html

>  <CAS Number> (128)
602306-29-6 

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Omecamtiv mecarbil (CK-1827452)

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CK-1827452, CK1827452 

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ATPase

>  <Form> (129)
Free Base

>  <URL> (129)
http://www.selleckchem.com/products/Omecamtiv-mecarbil-CK-1827452.html

>  <CAS Number> (129)
873697-71-3

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mTOR

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936890-98-1

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856243-80-6

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Free Base

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http://www.selleckchem.com/products/r547.html

>  <CAS Number> (139)
741713-40-6

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MK0822

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Cathepsin K

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IGF-1R

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http://www.selleckchem.com/products/BMS-754807.html

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1001350-96-4

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IL Receptor

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

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94055-76-2

$$$$
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M  END
>  <Mol_ID> (151)
1002

>  <Formula> (151)
C23H30N8O3S

>  <MolWeight> (151)
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>  <Item Name> (151)
Apitolisib (GDC-0980, RG7422)

>  <Catalog Number> (151)
S2696 

>  <Synonyms> (151)
N/A 

>  <Target> (151)
mTOR, PI3K

>  <Form> (151)
Free Base

>  <URL> (151)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

>  <CAS Number> (151)
1032754-93-0

$$$$
Nepicastat hydrochloride.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (152)
1003

>  <Formula> (152)
C14H16ClF2N3S

>  <MolWeight> (152)
331.8117464

>  <Item Name> (152)
Nepicastat hydrochloride

>  <Catalog Number> (152)
S2695

>  <Synonyms> (152)
SYN117

>  <Target> (152)
Hydroxylase

>  <Form> (152)
Hydrochloride

>  <URL> (152)
http://www.selleckchem.com/products/nepicastat-hydrochloride.html

>  <CAS Number> (152)
170151-24-3

$$$$
SCH 900776.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (153)
1015

>  <Formula> (153)
C15H18BrN7

>  <MolWeight> (153)
376.25432

>  <Item Name> (153)
MK-8776 (SCH 900776)

>  <Catalog Number> (153)
S2735

>  <Synonyms> (153)
N/A

>  <Target> (153)
CHK

>  <Form> (153)
Free Base

>  <URL> (153)
http://www.selleckchem.com/products/sch-900776.html

>  <CAS Number> (153)
891494-63-6

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (154)
1016

>  <Formula> (154)
C21H21Cl2NO5

>  <MolWeight> (154)
438.30114

>  <Item Name> (154)
Flavopiridol (Alvocidib) HCl

>  <Catalog Number> (154)
S2679

>  <Synonyms> (154)
N/A

>  <Target> (154)
CDK

>  <Form> (154)
Hydrochloride

>  <URL> (154)
http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

>  <CAS Number> (154)
131740-09-5

$$$$
PH797804.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (155)
1017

>  <Formula> (155)
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>  <MolWeight> (155)
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>  <Item Name> (155)
PH-797804

>  <Catalog Number> (155)
S2726

>  <Synonyms> (155)
N/A

>  <Target> (155)
p38 MAPK

>  <Form> (155)
Free Base

>  <URL> (155)
http://www.selleckchem.com/products/ph-797804.html

>  <CAS Number> (155)
586379-66-0

$$$$
INK 128.cdx
csChFnd80/07261814112D

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Aurora Kinase

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1010085-13-8

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Caspase

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

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315183-21-2

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c-Met 

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857064-38-1

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1308

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C33H37F2N7O4

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Golvatinib (E7050) 

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S2859

>  <Synonyms> (192)
E7050

>  <Target> (192)
c-Met, VEGFR

>  <Form> (192)
Free Base

>  <URL> (192)
http://www.selleckchem.com/products/golvatinib-e7050.html

>  <CAS Number> (192)
928037-13-2

$$$$
Besifloxacin HCl.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (193)
1315

>  <Formula> (193)
C19H22Cl2FN3O3

>  <MolWeight> (193)
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>  <Item Name> (193)
Besifloxacin HCl (Besivance)

>  <Catalog Number> (193)
S3055

>  <Synonyms> (193)
N/A

>  <Target> (193)
Others

>  <Form> (193)
Hydrochloride

>  <URL> (193)
http://www.selleckchem.com/products/besifloxacin-hci.html

>  <CAS Number> (193)
405165-61-9

$$$$
Forskolin.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (194)
1316

>  <Formula> (194)
C22H34O7

>  <MolWeight> (194)
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>  <Item Name> (194)
Forskolin

>  <Catalog Number> (194)
S2449

>  <Synonyms> (194)
Coleonol

>  <Target> (194)
cAMP

>  <Form> (194)
Free Base

>  <URL> (194)
http://www.selleckchem.com/products/forskolin.html

>  <CAS Number> (194)
66575-29-9

$$$$
Apocynin (acetovanillone).cdx
csChFnd80/07261814112D

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>  <Mol_ID> (195)
1334

>  <Formula> (195)
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>  <MolWeight> (195)
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>  <Item Name> (195)
Apocynin (Acetovanillone)

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N/A

>  <Target> (195)
NADPH oxidase

>  <Form> (195)
Free Base

>  <URL> (195)
http://www.selleckchem.com/products/apocynin-acetovanillone.html

>  <CAS Number> (195)
498-02-2

$$$$
U-104.cdx
csChFnd80/07261814112D

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U-104

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S2866

>  <Synonyms> (196)
N/A

>  <Target> (196)
Carbonic Anhydrase

>  <Form> (196)
Free Base

>  <URL> (196)
http://www.selleckchem.com/products/u-104.html

>  <CAS Number> (196)
178606-66-1

$$$$
L-NAME HCl.cdx
csChFnd80/07261814112D

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C7H16ClN5O4

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L-NAME HCl

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S2877

>  <Synonyms> (197)
N/A

>  <Target> (197)
NOS

>  <Form> (197)
Hydrochloride

>  <URL> (197)
http://www.selleckchem.com/products/l-name-hcl.html

>  <CAS Number> (197)
51298-62-5

$$$$
Betulinic acid.cdx
csChFnd80/07261814112D

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1356

>  <Formula> (198)
C30H48O3

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>  <Item Name> (198)
Betulinic acid

>  <Catalog Number> (198)
S3603

>  <Target> (198)
N/A

>  <Form> (198)
Free Base

>  <URL> (198)
http://www.selleckchem.com/products/betulinic-acid.html

>  <CAS Number> (198)
472-15-1

$$$$
PF-562271.cdx
csChFnd80/07261814112D

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1358

>  <Formula> (199)
C21H20F3N7O3S

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PF-562271

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>  <Synonyms> (199)
N/A

>  <Form> (199)
Free Base

>  <URL> (199)
http://www.selleckchem.com/products/pf-562271.html

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717907-75-0

$$$$
Tempol.cdx
csChFnd80/07261814112D

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1361

>  <Formula> (200)
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>  <Synonyms> (200)
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Immunology & Inflammation related

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Free Base

>  <URL> (200)
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>  <CAS Number> (200)
2226-96-2

$$$$
SB 271046.cdx
csChFnd80/07261814112D

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952021-60-2

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p38 MAPK

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303162-79-0

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Antifection

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http://www.selleckchem.com/products/Arbidol-hcl.html

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131707-23-8

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PI3K

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1372540-25-4

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M  END
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C23H21ClFN5O4S

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PRX-08066 Maleic acid

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S8010

>  <Synonyms> (210)
N/A

>  <Target> (210)
5-HT Receptor

>  <Form> (210)
Maleate

>  <URL> (210)
http://www.selleckchem.com/products/prx-08066.html

>  <CAS Number> (210)
866206-55-5

$$$$
AZD5363.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (211)
1546

>  <Formula> (211)
C21H25ClN6O2

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AZD5363

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S8019

>  <Synonyms> (211)
N/A

>  <Target> (211)
Akt

>  <Form> (211)
Free Base

>  <URL> (211)
http://www.selleckchem.com/products/azd5363.html

>  <CAS Number> (211)
1143532-39-1

$$$$
Plerixafor.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (212)
1549

>  <Formula> (212)
C28H54N8

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Plerixafor

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S8030

>  <Synonyms> (212)
N/A

>  <Target> (212)
CXCR

>  <Form> (212)
Free Base

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

>  <CAS Number> (212)
110078-46-1

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (213)
1567

>  <Formula> (213)
FNa2O3P

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143.9499042

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Sodium Monofluorophosphate

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>  <Synonyms> (213)
Sodium Fluorophosphate

>  <Target> (213)
Others
phosphatase

>  <Form> (213)
Disodium salt

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

>  <CAS Number> (213)
10163-15-2

$$$$
SN-38.cdx
csChFnd80/07261814112D

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C22H20N2O5

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SN-38

>  <Catalog Number> (214)
S4908

>  <Synonyms> (214)
N/A

>  <Target> (214)
Topoisomerase

>  <Form> (214)
Free Base

>  <URL> (214)
http://www.selleckchem.com/products/sn-38.html

>  <CAS Number> (214)
86639-52-3

$$$$
EPZ-5676.cdx
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M  CFW  24 BOND_GSTEREO 5
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M  END
>  <Mol_ID> (215)
1596

>  <Formula> (215)
C30H42N8O3

>  <MolWeight> (215)
562.70628

>  <Item Name> (215)
Pinometostat (EPZ5676)

>  <Catalog Number> (215)
S7062

>  <Synonyms> (215)
N/A

>  <Target> (215)
Histone Methyltransferase

>  <Form> (215)
Free Base

>  <URL> (215)
http://www.selleckchem.com/products/epz-5676.html

>  <CAS Number> (215)
1380288-87-8

$$$$
Oprozomib (ONX 0912).cdx
csChFnd80/07261814112D

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>  <Mol_ID> (216)
1599

>  <Formula> (216)
C25H32N4O7S

>  <MolWeight> (216)
532.60918

>  <Item Name> (216)
Oprozomib (ONX 0912)

>  <Catalog Number> (216)
S7049

>  <Synonyms> (216)
N/A

>  <Target> (216)
Proteasome

>  <Form> (216)
Free Base

>  <URL> (216)
http://www.selleckchem.com/products/oprozomib-onx-0912.html

>  <CAS Number> (216)
935888-69-0

$$$$
VX661.cdx
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>  <Mol_ID> (217)
1600

>  <Formula> (217)
C26H27F3N2O6

>  <MolWeight> (217)
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>  <Item Name> (217)
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>  <Catalog Number> (217)
S7059

>  <Synonyms> (217)
N/A

>  <Target> (217)
CFTR

>  <Form> (217)
Free Base

>  <URL> (217)
http://www.selleckchem.com/products/vx-661.html

>  <CAS Number> (217)
1152311-62-0

$$$$
Tariquidar.cdx
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1625

>  <Formula> (218)
C38H38N4O6

>  <MolWeight> (218)
646.73152

>  <Item Name> (218)
Tariquidar

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S8028

>  <Synonyms> (218)
N/A

>  <Target> (218)
P-gp

>  <Form> (218)
Free Base

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

>  <CAS Number> (218)
206873-63-4

$$$$
Pirarubicin.cdx
csChFnd80/07261814112D

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1641

>  <Formula> (219)
C32H37NO12

>  <MolWeight> (219)
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>  <Item Name> (219)
Pirarubicin

>  <Catalog Number> (219)
S1393

>  <Synonyms> (219)
N/A

>  <Target> (219)
Topoisomerase

>  <Form> (219)
Free Base

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

>  <CAS Number> (219)
72496-41-4

$$$$
Mildronate.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (220)
1661

>  <Formula> (220)
C6H15N2O2+

>  <MolWeight> (220)
147.1955

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Mildronate

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S4130

>  <Synonyms> (220)
N/A

>  <Target> (220)
Hydroxylase

>  <Form> (220)
Free Base

>  <URL> (220)
https://www.selleckchem.com/products/mildronate.html

>  <CAS Number> (220)
76144-81-5

$$$$
AMG-517.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (221)
1673

>  <Formula> (221)
C20H13F3N4O2S

>  <MolWeight> (221)
430.4030296

>  <Item Name> (221)
AMG-517

>  <Catalog Number> (221)
S7115

>  <Synonyms> (221)
N/A

>  <Target> (221)
TRPV

>  <Form> (221)
Free Base

>  <URL> (221)
https://www.selleckchem.com/products/amg-517.html

>  <CAS Number> (221)
659730-32-2

$$$$
GDC-0349.cdx
csChFnd80/07261814112D

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Free Base

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https://www.selleckchem.com/products/xl888.html

>  <CAS Number> (225)
1149705-71-4

$$$$
p276-00.cdx
csChFnd80/07261814112D

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1695

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C21H21Cl2NO5

>  <MolWeight> (226)
438.30114

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P276-00

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S8058

>  <Synonyms> (226)
N/A

>  <Target> (226)
CDK

>  <Form> (226)
HCl

>  <URL> (226)
https://www.selleckchem.com/products/p276-00.html

>  <CAS Number> (226)
920113-03-7

$$$$
isovaleramide.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (227)
1742

>  <Formula> (227)
C5H11NO

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Isovaleramide

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S4116

>  <Synonyms> (227)
N/A

>  <Target> (227)
Dehydrogenase

>  <Form> (227)
Free Base

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

>  <CAS Number> (227)
541-46-8

$$$$
Sasapyrine.cdx
csChFnd80/07261814112D

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1749

>  <Formula> (228)
C14H10O5

>  <MolWeight> (228)
258.2262

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Sasapyrine

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S4188

>  <Synonyms> (228)
N/A

>  <Target> (228)
COX

>  <Form> (228)
Free Base

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

>  <CAS Number> (228)
552-94-3

$$$$
GZD824.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (229)
1760

>  <Formula> (229)
C31H35F3N6O7S2

>  <MolWeight> (229)
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>  <Item Name> (229)
GZD824 Dimesylate 

>  <Catalog Number> (229)
S7194

>  <Synonyms> (229)
N/A

>  <Target> (229)
Bcr-Abl

>  <Form> (229)
Mesylate

>  <URL> (229)
http://www.selleckchem.com/products/gzd824.html

>  <CAS Number> (229)
1421783-64-3

$$$$
Bergapten.cdx
csChFnd80/07261814112D

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1775

>  <Formula> (230)
C12H8O4

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Bergapten

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>  <Synonyms> (230)
N/A

>  <Target> (230)
DNA/RNA Synthesis

>  <Form> (230)
Free Base

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

>  <CAS Number> (230)
484-20-8

$$$$
NLG-919.cdx
csChFnd80/07261814112D

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IDO

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1402836-58-1

$$$$
sucralose.cdx
csChFnd80/07261814112D

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Free Base

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56038-13-2

$$$$
Clodronate disodium.cdx
csChFnd80/07261814112D

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>  <Target> (233)
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>  <Form> (233)
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>  <URL> (233)
http://www.selleckchem.com/products/clodronate-disodium.html

>  <CAS Number> (233)
22560-50-5, 10596-23-3(free base)

$$$$
GDC-0152.cdx
csChFnd80/07261814112D

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N/A

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IAP

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Free Base

>  <URL> (234)
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>  <CAS Number> (234)
873652-48-3

$$$$
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csChFnd80/07261814112D

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N/A

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E1 Activating

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Free Base

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>  <CAS Number> (235)
905579-51-3

$$$$
Erythritol.cdx
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Others

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Free Base

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

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149-32-6

$$$$
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csChFnd80/07261814112D

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PaTrin-2

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DNA Methyltransferase

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Free Base

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

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192441-08-0

$$$$
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csChFnd80/07261814112D

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EPZ005687

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Histone Methyltransferase

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Free Base

>  <URL> (238)
http://www.selleckchem.com/products/epz005687.html

>  <CAS Number> (238)
1396772-26-1

$$$$
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Androgen Receptor

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>  <URL> (239)
http://www.selleckchem.com/products/azd3514.html

>  <CAS Number> (239)
1240299-33-5

$$$$
PD123319.cdx
csChFnd80/07261814112D

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S7098

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RAAS

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Free Base

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130663-39-7

$$$$
Latrepirdine.cdx
csChFnd80/07261814112D

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C21H27Cl2N3

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Latrepirdine 2HCl

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Dimebolin

>  <Target> (241)
GluR

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Dihydrochloride

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

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97657-92-6

$$$$
Daidzin.cdx
csChFnd80/07261814112D

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C21H20O9

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Daidzin

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Free Base

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

>  <CAS Number> (242)
552-66-9

$$$$
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GPR
GPR

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>  <URL> (243)
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>  <CAS Number> (243)
851723-84-7, 950688-14-9 (sodium salt)

$$$$
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C19H9Cl2F2N3OS

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VX-745

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S1458

>  <Synonyms> (244)
N/A

>  <Target> (244)
p38 MAPK 

>  <Form> (244)
Free Base

>  <URL> (244)
http://www.selleckchem.com/products/VX-745.html

>  <CAS Number> (244)
209410-46-8

$$$$
AZD 1480.cdx
csChFnd80/07261814112D

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1905

>  <Formula> (245)
C14H14ClFN8

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348.7659632

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AZD1480

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S2162

>  <Synonyms> (245)
N/A

>  <Target> (245)
JAK

>  <Form> (245)
Free Base

>  <URL> (245)
http://www.selleckchem.com/products/AZD1480.html

>  <CAS Number> (245)
935666-88-9, 1260222-79-4 (TFA)

$$$$
quinacrine dihydrochloride.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (246)
1907

>  <Formula> (246)
C23H32Cl3N3O

>  <MolWeight> (246)
472.87868

>  <Item Name> (246)
Quinacrine 2HCl

>  <Catalog Number> (246)
S4255

>  <Synonyms> (246)
N/A

>  <Target> (246)
Phospholipase (e.g. PLA)

>  <Form> (246)
Dihydrochloride

>  <URL> (246)
http://www.selleckchem.com/products/quinacrine-2hcl.html

>  <CAS Number> (246)
69-05-6

$$$$
TIC10.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (247)
1913

>  <Formula> (247)
C24H26N4O

>  <MolWeight> (247)
386.48944

>  <Item Name> (247)
TIC10 analogue

>  <Catalog Number> (247)
S7127

>  <Synonyms> (247)
TRAIL-inducing Compound 10

>  <Target> (247)
Akt

>  <Form> (247)
Free Base

>  <URL> (247)
http://www.selleckchem.com/products/tic10.html

>  <CAS Number> (247)
41276-02-2

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/07261814112D

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>  <Mol_ID> (248)
1914

>  <Formula> (248)
C22H22ClN5O2

>  <MolWeight> (248)
423.89538

>  <Item Name> (248)
I-BET-762

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S7189

>  <Synonyms> (248)
GSK525762, GSK525762A

>  <Target> (248)
Epigenetic Reader Domain

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Free Base

>  <URL> (248)
http://www.selleckchem.com/products/i-bet-762.html

>  <CAS Number> (248)
1260907-17-2

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/07261814112D

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1915

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C16H10BrN3O2

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BIO

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S7198

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GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (249)
GSK-3

>  <Form> (249)
Free Base

>  <URL> (249)
http://www.selleckchem.com/products/bio.html

>  <CAS Number> (249)
667463-62-9

$$$$
¦Â-Lapachone (ARQ-501).cdx
csChFnd80/07261814112D

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1923

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C15H14O3

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242.26986

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Beta-Lapachone

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S7261

>  <Synonyms> (250)
¦Â-Lapachone, ARQ-501

>  <Target> (250)
Topoisomerase

>  <Form> (250)
Free Base

>  <URL> (250)
http://www.selleckchem.com/products/beta-lapachone.html

>  <CAS Number> (250)
4707-32-8

$$$$
AZD1981.cdx
csChFnd80/07261814112D

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1932

>  <Formula> (251)
C19H17ClN2O3S

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388.86788

>  <Item Name> (251)
AZD1981

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S7263

>  <Synonyms> (251)
N/A

>  <Target> (251)
GPR

>  <Form> (251)
Free Base

>  <URL> (251)
http://www.selleckchem.com/products/azd1981.html

>  <CAS Number> (251)
802904-66-1

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/07261814112D

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1942

>  <Formula> (252)
C24H27Cl2N5O

>  <MolWeight> (252)
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>  <Item Name> (252)
Dorsomorphin (Compound C) 2HCl

>  <Catalog Number> (252)
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>  <Synonyms> (252)
BML-275,Compound C

>  <Target> (252)
AMPK

>  <Form> (252)
Dihydrochloride

>  <URL> (252)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

>  <CAS Number> (252)
1219168-18-9

$$$$
oxethazaine.cdx
csChFnd80/07261814112D

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C28H41N3O3

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oxethazaine

>  <Catalog Number> (253)
S4343 

>  <Synonyms> (253)
Oxethacaine

>  <Target> (253)
Others

>  <Form> (253)
Free Base

>  <URL> (253)
http://www.selleckchem.com/products/oxethazaine.html

>  <CAS Number> (253)
126-27-2

$$$$
Efaproxiral sodium.cdx
csChFnd80/07261814112D

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>  <Item Name> (254)
Efaproxiral sodium

>  <Catalog Number> (254)
S4263 

>  <Synonyms> (254)
N/A

>  <Target> (254)
Others

>  <Form> (254)
Sodium salt

>  <URL> (254)
http://www.selleckchem.com/products/efaproxiral-sodium.html

>  <CAS Number> (254)
170787-99-2

$$$$
Nicaraven.cdx
csChFnd80/07261814112D

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C15H16N4O2

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Nicaraven

>  <Catalog Number> (255)
S4265 

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>  <Target> (255)
Others

>  <Form> (255)
Free Base

>  <URL> (255)
http://www.selleckchem.com/products/nicaraven.html

>  <CAS Number> (255)
79455-30-4

$$$$
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csChFnd80/07261814112D

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XL139

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Hedgehog/Smoothened

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Free Base

>  <URL> (256)
http://www.selleckchem.com/products/bms-833923.html

>  <CAS Number> (256)
1059734-66-5

$$$$
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csChFnd80/07261814112D

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CFTR

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1191252-49-9

$$$$
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HDAC

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1215493-56-3

$$$$
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csChFnd80/07261814112D

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NF-¦ÊB

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104594-70-9

$$$$
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ALK

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1097917-15-1

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1243244-14-5

$$$$
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DNA/RNA Synthesis

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236392-56-6

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Raf

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1269440-17-6

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M  END
>  <Mol_ID> (271)
2194

>  <Formula> (271)
C18H21IN6O2S

>  <MolWeight> (271)
512.36781

>  <Item Name> (271)
PU-H71

>  <Catalog Number> (271)
S8039

>  <Synonyms> (271)
NSC 750424

>  <Target> (271)
HSP 

>  <Form> (271)
Free Base

>  <URL> (271)
http://www.selleckchem.com/products/pu-h71.html

>  <CAS Number> (271)
873436-91-0

$$$$
Almorexant HCl.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (272)
2207

>  <Formula> (272)
C29H32ClF3N2O3

>  <MolWeight> (272)
549.0241896

>  <Item Name> (272)
Almorexant HCl

>  <Catalog Number> (272)
S2160

>  <Synonyms> (272)
N/A

>  <Target> (272)
OX Receptor

>  <Form> (272)
Hydrochloride

>  <URL> (272)
http://www.selleckchem.com/products/almorexant-hcl.html

>  <CAS Number> (272)
913358-93-7

$$$$
GSK923295.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (273)
2209

>  <Formula> (273)
C32H38ClN5O4

>  <MolWeight> (273)
592.12822

>  <Item Name> (273)
GSK923295

>  <Catalog Number> (273)
S7090

>  <Synonyms> (273)
N/A

>  <Target> (273)
Kinesin

>  <Form> (273)
Free Base

>  <URL> (273)
http://www.selleckchem.com/products/gsk923295.html

>  <CAS Number> (273)
1088965-37-0

$$$$
Darapladib.cdx
csChFnd80/07261814112D

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Free Base

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356057-34-6

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Pim

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Free Base

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http://www.selleckchem.com/products/azd-1208.html

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1204144-28-4

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Transferase

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Free Base

>  <URL> (276)
http://www.selleckchem.com/products/pf-04620110.html

>  <CAS Number> (276)
1109276-89-2

$$$$
Tenatoprazole.cdx
csChFnd80/07261814112D

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Free Base

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

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113712-98-4

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
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923032-37-5

$$$$
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PAK

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Free Base

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http://www.selleckchem.com/products/pf-3758309.html

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898044-15-0

$$$$
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csChFnd80/07261814112D

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2258

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Pritelivir (BAY 57-1293)

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S7546

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N/A

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DNA/RNA Synthesis

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Free Base

>  <URL> (280)
http://www.selleckchem.com/products/bay-57-1293.html

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348086-71-5

$$$$
BMS863233.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (281)
2259

>  <Formula> (281)
C14H13Cl2N3O2

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XL413 (BMS-863233)

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S7547

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N/A

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CDK

>  <Form> (281)
Free Base

>  <URL> (281)
http://www.selleckchem.com/products/xl413-bms-863233.html

>  <CAS Number> (281)
1169562-71-3

$$$$
Bambuterol HCl.cdx
csChFnd80/07261814112D

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2280

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C18H30ClN3O5

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Bambuterol HCl

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S4277

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N/A

>  <Target> (282)
Adrenergic Receptor

>  <Form> (282)
Hydrochloride

>  <URL> (282)
http://www.selleckchem.com/products/bambuterol-hci.html

>  <CAS Number> (282)
81732-46-9

$$$$
GDC0994.cdx
csChFnd80/07261814112D

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ERK

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http://www.selleckchem.com/products/gdc-0994.html

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1453848-26-4

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N/A

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mTOR

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Free Base

>  <URL> (284)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

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221877-54-9

$$$$
N6022.cdx
csChFnd80/07261814112D

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1208315-24-5

$$$$
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csChFnd80/07261814112D

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PLK

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1034616-18-6

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Kinesin

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>  <URL> (288)
http://www.selleckchem.com/products/arq-621.html

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1095253-39-6

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$$$$
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1254473-64-7

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M  END
>  <Mol_ID> (294)
2364

>  <Formula> (294)
C20H15NO3

>  <MolWeight> (294)
317.338

>  <Item Name> (294)
Kartogenin

>  <Catalog Number> (294)
S7658

>  <Synonyms> (294)
N/A

>  <Target> (294)
TGF-beta/Smad

>  <Form> (294)
Free Base

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

>  <CAS Number> (294)
4727-31-5

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (295)
2367

>  <Formula> (295)
C25H31N7O6

>  <MolWeight> (295)
525.55694

>  <Item Name> (295)
ENMD-2076 L-(+)-Tartaric acid

>  <Catalog Number> (295)
S2018

>  <Synonyms> (295)
N/A

>  <Target> (295)
FLT3

>  <Form> (295)
Free Base

>  <URL> (295)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

>  <CAS Number> (295)
1291074-87-7

$$$$
(R)-Nepicastat HCL(RS-25560-198).cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (296)
2370

>  <Formula> (296)
C14H16ClF2N3S

>  <MolWeight> (296)
331.8117464

>  <Item Name> (296)
(R)-Nepicastat HCl

>  <Catalog Number> (296)
S4926

>  <Synonyms> (296)
RS-25560-198 HCl

>  <Target> (296)
Hydroxylase

>  <Form> (296)
Hydrochloride

>  <URL> (296)
http://www.selleckchem.com/products/r-nepicastat-hcl.html

>  <CAS Number> (296)
195881-94-8

$$$$
VS-5584 (SB2343).cdx
csChFnd80/07261814112D

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>  <Mol_ID> (297)
2371

>  <Formula> (297)
C17H22N8O

>  <MolWeight> (297)
354.40958

>  <Item Name> (297)
VS-5584 (SB2343)

>  <Catalog Number> (297)
S7016

>  <Synonyms> (297)
N/A

>  <Target> (297)
PI3K

>  <Form> (297)
Free Base

>  <URL> (297)
http://www.selleckchem.com/products/vs-5584-sb2343.html

>  <CAS Number> (297)
1246560-33-7

$$$$
Disopyramide Phosphate.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (298)
2380

>  <Formula> (298)
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>  <MolWeight> (298)
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>  <Item Name> (298)
Pentoxyverine Citrate

>  <Catalog Number> (298)
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>  <Synonyms> (298)
Carbetapentane Citrate

>  <Target> (298)
AChR

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Citrate

>  <URL> (298)
http://www.selleckchem.com/products/pentoxyverine-carbetapentane-citrate.html

>  <CAS Number> (298)
23142-01-0

$$$$
PF-06463922.cdx
csChFnd80/07261814112D

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ALK

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1454846-35-5

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KPT-335.cdx
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1392136-43-4

$$$$
PX-478 2HCl.cdx
csChFnd80/07261814112D

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685898-44-6

$$$$
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477-47-4

$$$$
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Mdm2

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Free Base

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http://www.selleckchem.com/products/mi-773-sar405838.html

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1303607-60-4

$$$$
Combretastatin A4.cdx
csChFnd80/07261814112D

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2481

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C18H20O5

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316.3484

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Combretastatin A4

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S7783

>  <Synonyms> (316)
N/A

>  <Target> (316)
Microtubule Associated

>  <Form> (316)
Free Base

>  <URL> (316)
http://www.selleckchem.com/products/combretastatin-a4.html

>  <CAS Number> (316)
117048-59-6

$$$$
SRT2104 (GSK2245840).cdx
csChFnd80/07261814112D

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2482

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C26H24N6O2S2

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>  <Synonyms> (317)
N/A

>  <Target> (317)
Sirtuin

>  <Form> (317)
Free Base

>  <URL> (317)
http://www.selleckchem.com/products/srt2104-gsk2245840.html

>  <CAS Number> (317)
1093403-33-8

$$$$
CB-839.cdx
csChFnd80/07261814112D

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2491

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Glutaminase

>  <Form> (318)
Free Base

>  <URL> (318)
http://www.selleckchem.com/products/cb-839.html

>  <CAS Number> (318)
1439399-58-2

$$$$
AT7519 HCl.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (319)
2509

>  <Formula> (319)
C16H18Cl3N5O2

>  <MolWeight> (319)
418.70542

>  <Item Name> (319)
AT7519 HCl

>  <Catalog Number> (319)
S7808

>  <Synonyms> (319)
N/A

>  <Target> (319)
CDK

>  <Form> (319)
Hydrochloride

>  <URL> (319)
http://www.selleckchem.com/products/at7519-hcl.html

>  <CAS Number> (319)
902135-91-5

$$$$
Licochalcone A.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (320)
2524

>  <Formula> (320)
C21H22O4

>  <MolWeight> (320)
338.39698

>  <Item Name> (320)
Licochalcone A

>  <Catalog Number> (320)
S7828

>  <Synonyms> (320)
N/A

>  <Target> (320)
Estrogen/progestogen Receptor

>  <Form> (320)
Free Base

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

>  <CAS Number> (320)
58749-22-7

$$$$
E3330.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (321)
2527

>  <Formula> (321)
C21H30O6

>  <MolWeight> (321)
378.4593

>  <Item Name> (321)
E3330

>  <Catalog Number> (321)
S7445

>  <Synonyms> (321)
N/A

>  <Target> (321)
DNA/RNA Synthesis

>  <Form> (321)
Free Base

>  <URL> (321)
http://www.selleckchem.com/products/e3330.html

>  <CAS Number> (321)
136164-66-4

$$$$
Endoxifen HCl.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (322)
2528

>  <Formula> (322)
C25H28ClNO2

>  <MolWeight> (322)
409.94832

>  <Item Name> (322)
Endoxifen HCl

>  <Catalog Number> (322)
S7839

>  <Synonyms> (322)
N/A

>  <Target> (322)
Estrogen/progestogen Receptor

>  <Form> (322)
Hydrochloride

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

>  <CAS Number> (322)
1032008-74-4

$$$$
BI-847325.cdx
csChFnd80/07261814112D

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59-14-3

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Oleuropein.cdx
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N/A

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Immunology & Inflammation related

>  <Form> (339)
Free Base

>  <URL> (339)
http://www.selleckchem.com/products/pf-04418948.html

>  <CAS Number> (339)
1078166-57-0

$$$$
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2598

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C32H34O10

>  <MolWeight> (340)
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>  <Item Name> (340)
gossypol-Acetic acid

>  <Catalog Number> (340)
S2303

>  <Synonyms> (340)
Pogosin, AT101

>  <Target> (340)
Dehydrogenase

>  <Form> (340)
Acetate

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

>  <CAS Number> (340)
12542-36-8

$$$$
ONC201.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (341)
2600

>  <Formula> (341)
C24H26N4O

>  <MolWeight> (341)
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>  <Item Name> (341)
TIC10

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S7963

>  <Synonyms> (341)
N/A

>  <Target> (341)
Akt

>  <Form> (341)
Free Base

>  <URL> (341)
http://www.selleck.cn/products/tic-10.html

>  <CAS Number> (341)
1616632-77-9

$$$$
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csChFnd80/07261814112D

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JAK

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944842-54-0

$$$$
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144875-48-9

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ROCK

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HIF

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mTOR

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1228013-30-6

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hydrochloride salt

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222638-67-7

$$$$
AZD3965.cdx
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>  <Target> (363)
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1448671-31-5

$$$$
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>  <URL> (364)
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1217094-53-5

$$$$
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$$$$
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55837-20-2

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68392-35-8

$$$$
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http://www.selleckchem.com/products/gsk2292767.html

>  <CAS Number> (374)
1254036-66-2

$$$$
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c-Met

>  <Form> (375)
Free Base

>  <URL> (375)
http://www.selleckchem.com/products/amg-337.html

>  <CAS Number> (375)
1173699-31-4

$$$$
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csChFnd80/07261814112D

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L-663536

>  <Target> (376)
Lipoxygenase

>  <Form> (376)
Free Base

>  <URL> (376)
http://www.selleckchem.com/products/mk-886-l-663-536.html

>  <CAS Number> (376)
118414-82-7

$$$$
S4694 Alosetron Hydrochloride.cdx
csChFnd80/07261814112D

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C17H19ClN4O

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5-HT Receptor

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hydrochloride

>  <URL> (377)
http://www.selleckchem.com/products/alosetron-hydrochloride.html

>  <CAS Number> (377)
122852-69-1

$$$$
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>  <Mol_ID> (378)
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>  <Formula> (378)
C22H34N6O16S4

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>  <Item Name> (378)
Ademetionine disulfate tosylate 

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S4515

>  <Synonyms> (378)
N/A

>  <Target> (378)
Others

>  <Form> (378)
Disulfate tosylate

>  <URL> (378)
http://www.selleckchem.com/products/ademetionine-disulfate-tosylate.html

>  <CAS Number> (378)
97540-22-2

$$$$
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csChFnd80/07261814112D

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>  <Formula> (379)
C18H27N3O6S3

>  <MolWeight> (379)
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>  <Item Name> (379)
TRx0237 (LMTX) mesylate

>  <Catalog Number> (379)
S7762

>  <Synonyms> (379)
N/A

>  <Target> (379)
Microtubule Associated

>  <Form> (379)
Dimesylate

>  <URL> (379)
http://www.selleckchem.com/products/trx0237-lmtx.html

>  <CAS Number> (379)
1236208-20-0

$$$$
MLR-1023.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (380)
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>  <Formula> (380)
C11H10N2O2

>  <MolWeight> (380)
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>  <Item Name> (380)
MLR-1023

>  <Catalog Number> (380)
S8321

>  <Synonyms> (380)
Tolimidone, CP-26154

>  <Target> (380)
Others

>  <Form> (380)
Free Base

>  <URL> (380)
http://www.selleckchem.com/products/mlr-1023.html

>  <CAS Number> (380)
41964-07-2

$$$$
LY3023414.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (381)
2953

>  <Formula> (381)
C23H26N4O3

>  <MolWeight> (381)
406.47754

>  <Item Name> (381)
LY3023414

>  <Catalog Number> (381)
S8322

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GTPL8918

>  <Target> (381)
Akt

>  <Form> (381)
Free Base

>  <URL> (381)
http://www.selleckchem.com/products/ly3023414.html

>  <CAS Number> (381)
1386874-06-1

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/07261814112D

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Caspase

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Free Base

>  <URL> (382)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

>  <CAS Number> (382)
1448428-04-3

$$$$
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M  END
>  <Mol_ID> (383)
2957

>  <Formula> (383)
C10H12O2

>  <MolWeight> (383)
164.20108

>  <Item Name> (383)
Eugenol

>  <Catalog Number> (383)
S4706

>  <Synonyms> (383)
4-Allyl-2-methoxyphenol, 4-Allylguaiacol, Eugenic acid, Allylguaiacol

>  <Target> (383)
Others

>  <Form> (383)
Free Base

>  <URL> (383)
http://www.selleckchem.com/products/eugenol.html

>  <CAS Number> (383)
97-53-0

$$$$
AT-406.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (384)
2960

>  <Formula> (384)
C32H43N5O4

>  <MolWeight> (384)
561.71492

>  <Item Name> (384)
AT-406

>  <Catalog Number> (384)
S2754

>  <Synonyms> (384)
N/A

>  <Target> (384)
IAP

>  <Form> (384)
Free Base

>  <URL> (384)
http://www.selleckchem.com/products/at-406.html

>  <CAS Number> (384)
1071992-99-8, 1071992-57-8 (HCl)

$$$$
LY333531.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (385)
2977

>  <Formula> (385)
C28H29ClN4O3

>  <MolWeight> (385)
505.00786

>  <Item Name> (385)
LY333531 HCl

>  <Catalog Number> (385)
S7663

>  <Synonyms> (385)
Ruboxistaurin

>  <Target> (385)
PKC

>  <Form> (385)
hydrochloride

>  <URL> (385)
http://www.selleckchem.com/products/ly333531.html

>  <CAS Number> (385)
169939-93-9

$$$$
MK-4101.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (386)
2984

>  <Formula> (386)
C24H24F5N5O

>  <MolWeight> (386)
493.472276

>  <Item Name> (386)
MK-4101

>  <Catalog Number> (386)
S8200

>  <Synonyms> (386)
N/A

>  <Target> (386)
Hedgehog/Smoothened

>  <Form> (386)
Free Base

>  <URL> (386)
http://www.selleckchem.com/products/mk-4101.html

>  <CAS Number> (386)
935273-79-3

$$$$
S4704 D-(+)-Cellobiose.cdx
csChFnd80/07261814112D

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  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  3 10  1  0  0  0  0
  1 11  1  0  0  0  0
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 13  8  1  0  0  0  0
 21 22  1  0  0  0  0
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M  CFW   2 BOND_GSTEREO 5
M  CFW  13 BOND_GSTEREO 5
M  END
>  <Mol_ID> (387)
2986

>  <Formula> (387)
C12H22O11

>  <MolWeight> (387)
342.29648

>  <Item Name> (387)
D-(+)-Cellobiose

>  <Catalog Number> (387)
S4704

>  <Synonyms> (387)
Cellobiose|Cellose|Beta-Cellobiose|D-Cellobiose

>  <Target> (387)
Others

>  <Form> (387)
Free Base

>  <URL> (387)
http://www.selleckchem.com/products/d-cellobiose.html

>  <CAS Number> (387)
528-50-7

$$$$
S4719 Kynurenic acid.cdx
csChFnd80/07261814112D

 14 15  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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    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    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (388)
2990

>  <Formula> (388)
C10H7NO3

>  <MolWeight> (388)
189.16748

>  <Item Name> (388)
Kynurenic acid

>  <Catalog Number> (388)
S4719

>  <Synonyms> (388)
Quinurenic acid|Kynurenate

>  <Target> (388)
Others

>  <Form> (388)
Free Base

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

>  <CAS Number> (388)
492-27-3

$$$$
S4728 3,3'-Diindolylmethane.cdx
csChFnd80/07261814112D

 19 22  0  0  0  0  0  0  0  0999 V2000
    2.7780    2.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0919    1.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9193    1.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2452    3.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2503    2.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0483    0.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7017    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5319    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8587    3.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4977    1.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7448    2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7143    0.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7321    1.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1056    3.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0941    0.3445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0908    1.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4575    4.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4516    3.2912    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  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  2  0  0  0  0
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 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 16  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (389)
2991

>  <Formula> (389)
C17H14N2

>  <MolWeight> (389)
246.30646

>  <Item Name> (389)
3,3'-Diindolylmethane

>  <Catalog Number> (389)
S4728

>  <Synonyms> (389)
DIM

>  <Target> (389)
Others

>  <Form> (389)
Free Base

>  <URL> (389)
http://www.selleckchem.com/products/3-3-diindolylmethane.html

>  <CAS Number> (389)
1968-05-4

$$$$
S4708 Palmitoylethanolamide.cdx
csChFnd80/07261814112D

 21 20  0  0  0  0  0  0  0  0999 V2000
   15.7343    0.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5056    0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9264    0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2955    0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1552    0.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0851    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3654    0.0367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1735    2.1090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9296    0.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7102    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7861    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4998    0.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0057    0.6693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    0.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0883    0.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    0.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4390    0.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    0.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3119    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
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (390)
2994

>  <Formula> (390)
C18H37NO2

>  <MolWeight> (390)
299.49188

>  <Item Name> (390)
Palmitoylethanolamide

>  <Catalog Number> (390)
S4708

>  <Synonyms> (390)
Palmidrol|N-palmitoylethanolamine

>  <Target> (390)
PPAR

>  <Form> (390)
Free Base

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

>  <CAS Number> (390)
544-31-0

$$$$
S4721 L-Glutamic acid monosodium salt.cdx
csChFnd80/07261814112D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  1  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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    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
    2.4249    1.4000    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
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Na  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  6  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (391)
2995

>  <Formula> (391)
C5H8NNaO4

>  <MolWeight> (391)
169.11109

>  <Item Name> (391)
L-Glutamic acid monosodium salt

>  <Catalog Number> (391)
S4721

>  <Synonyms> (391)
Monosodium glutamate|MSG

>  <Target> (391)
Others

>  <Form> (391)
sodium salt

>  <URL> (391)
http://www.selleckchem.com/products/l-glutamic-acid-monosodium-salt.html

>  <CAS Number> (391)
142-47-2

$$$$
S4726 Lauric Acid.cdx
csChFnd80/07261814112D

 14 13  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    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
   13.3368    0.7000    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
   14.5492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   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    0.0000    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
    0.0000    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  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
  7 10  2  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
M  END
>  <Mol_ID> (392)
3007

>  <Formula> (392)
C12H24O2

>  <MolWeight> (392)
200.31776

>  <Item Name> (392)
Lauric Acid

>  <Catalog Number> (392)
S4726

>  <Synonyms> (392)
N/A

>  <Target> (392)
Others

>  <Form> (392)
Free Base

>  <URL> (392)
http://www.selleckchem.com/products/lauric-acid.html

>  <CAS Number> (392)
143-07-7

$$$$
AZD8835.cdx
csChFnd80/07261814112D

 34 37  0  0  0  0  0  0  0  0999 V2000
   11.5287    2.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5287    0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7411    0.0187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9536    0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9536    2.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7411    2.8187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3163    2.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1699    4.2110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8005    4.5021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1005    3.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2103    5.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7082    3.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4930    4.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    2.8506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1388    1.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    2.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7083    3.8369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    1.2790    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
   15.1660    0.0187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1660    2.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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C22H31N9O3

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AZD8835

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>  <Target> (393)
PI3K

>  <Form> (393)
Free Base

>  <URL> (393)
http://www.selleckchem.com/products/azd8835.html

>  <CAS Number> (393)
1620576-64-8

$$$$
LOXO-101.cdx
csChFnd80/07261814112D

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3015

>  <Formula> (394)
C21H24F2N6O6S

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LOXO-101(sulfate)

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S7960

>  <Synonyms> (394)
N/A

>  <Target> (394)
Trk receptor

>  <Form> (394)
sulfate

>  <URL> (394)
http://www.selleckchem.com/products/loxo-101.html

>  <CAS Number> (394)
1223405-08-0

$$$$
BMS-911543.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (395)
3023

>  <Formula> (395)
C23H28N8O

>  <MolWeight> (395)
432.52142

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BMS-911543

>  <Catalog Number> (395)
S7144

>  <Synonyms> (395)
N/A

>  <Target> (395)
JAK

>  <Form> (395)
Free Base

>  <URL> (395)
http://www.selleckchem.com/products/bms-911543.html

>  <CAS Number> (395)
1271022-90-2

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/07261814112D

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3028

>  <Formula> (396)
C6H12O5

>  <MolWeight> (396)
164.15648

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2-Deoxy-D-glucose

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S4701

>  <Synonyms> (396)
2-deoxyglucose, NSC 15193

>  <Target> (396)
Others

>  <Form> (396)
Free Base

>  <URL> (396)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

>  <CAS Number> (396)
154-17-6

$$$$
S4702 Sarcosine.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (397)
3029

>  <Formula> (397)
C3H7NO2

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>  <Item Name> (397)
Sarcosine

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S4702

>  <Synonyms> (397)
N-methylglycine, Sarcosinic acid, Methylaminoacetic acid, Methylglycine

>  <Target> (397)
NMDAR

>  <Form> (397)
Free Base

>  <URL> (397)
http://www.selleckchem.com/products/sarcosine.html

>  <CAS Number> (397)
107-97-1

$$$$
S4709 Latanoprost.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (398)
3032

>  <Formula> (398)
C26H40O5

>  <MolWeight> (398)
432.5928

>  <Item Name> (398)
Latanoprost

>  <Catalog Number> (398)
S4709

>  <Synonyms> (398)
Xalatan, PhXA41, PHXA-41

>  <Target> (398)
GPR

>  <Form> (398)
Free Base

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

>  <CAS Number> (398)
130209-82-4

$$$$
S4710 Picolinamide.cdx
csChFnd80/07261814112D

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    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (399)
3033

>  <Formula> (399)
C6H6N2O

>  <MolWeight> (399)
122.12464

>  <Item Name> (399)
Picolinamide

>  <Catalog Number> (399)
S4710

>  <Synonyms> (399)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (399)
PARP

>  <Form> (399)
Free Base

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

>  <CAS Number> (399)
1452-77-3

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/07261814112D

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    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  1  0  0  0
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  1  4  1  0  0  0  0
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M  END
>  <Mol_ID> (400)
3034

>  <Formula> (400)
C15H14O6

>  <MolWeight> (400)
290.26806

>  <Item Name> (400)
(+)-Catechin

>  <Catalog Number> (400)
S4722

>  <Synonyms> (400)
Cianidanol, Catechinic acid, Catechuic acid

>  <Target> (400)
Others

>  <Form> (400)
Free Base

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

>  <CAS Number> (400)
154-23-4

$$$$
S4723 (-)Epicatechin.cdx
csChFnd80/07261814112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (401)
3035

>  <Formula> (401)
C15H14O6

>  <MolWeight> (401)
290.26806

>  <Item Name> (401)
(-)Epicatechin

>  <Catalog Number> (401)
S4723

>  <Synonyms> (401)
L-Epicatechin, (-)-Epicatechol

>  <Target> (401)
Others

>  <Form> (401)
Free Base

>  <URL> (401)
http://www.selleckchem.com/products/-epicatechin.html

>  <CAS Number> (401)
490-46-0

$$$$
Pamapimod.cdx
csChFnd80/07261814112D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (402)
3044

>  <Formula> (402)
C19H20F2N4O4

>  <MolWeight> (402)
406.3833064

>  <Item Name> (402)
Pamapimod (R-1503, Ro4402257)

>  <Catalog Number> (402)
S8125

>  <Synonyms> (402)
N/A

>  <Target> (402)
p38 MAPK

>  <Form> (402)
Free Base

>  <URL> (402)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

>  <CAS Number> (402)
449811-01-2

$$$$
AS101.cdx
csChFnd80/07261814112D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (403)
3048

>  <Formula> (403)
C2H8Cl3NO2Te

>  <MolWeight> (403)
312.04942

>  <Item Name> (403)
AS101

>  <Catalog Number> (403)
S8301

>  <Synonyms> (403)
N/A

>  <Target> (403)
Others

>  <Form> (403)
Coordination Co

>  <URL> (403)
http://www.selleckchem.com/products/as101.html

>  <CAS Number> (403)
106566-58-9

$$$$
untitled.cdx
csChFnd80/07261814112D

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C38H47ClN4O4

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NVP-CGM097

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S7875

>  <Synonyms> (404)
CGM-097, CGM 097, CGM 097, NVP CGM097

>  <Target> (404)
E3 Ligase

>  <Form> (404)
Free Base

>  <URL> (404)
http://www.selleckchem.com/products/nvp-cgm097.html

>  <CAS Number> (404)
1313363-54-0

$$$$
BFH772.cdx
csChFnd80/07261814112D

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C23H16F3N3O3

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BFH772

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S8188

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BFH 772, BFH-772

>  <Target> (405)
VEGFR

>  <Form> (405)
Free Base

>  <URL> (405)
http://www.selleckchem.com/products/bfh772.html

>  <CAS Number> (405)
890128-81-1

$$$$
CPI-1205.cdx
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>  <Mol_ID> (406)
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C27H33F3N4O3

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>  <Item Name> (406)
CPI-1205

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>  <Synonyms> (406)
CPI 1205, CPI1205

>  <Target> (406)
Histone Methyltransferase

>  <Form> (406)
Free Base

>  <URL> (406)
http://www.selleckchem.com/products/cpi-1205.html

>  <CAS Number> (406)
1621862-70-1

$$$$
AZD9496.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (407)
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Estrogen/progestogen Receptor

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Free Base

>  <URL> (407)
http://www.selleckchem.com/products/azd9496.html

>  <CAS Number> (407)
1639042-08-2

$$$$
BGP-15.cdx
csChFnd80/07261814112D

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PARP

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dihydrochloride

>  <URL> (408)
http://www.selleckchem.com/products/bgp-15.html

>  <CAS Number> (408)
66611-37-8

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
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>  <Synonyms> (409)
Tucatinib

>  <Target> (409)
HER2

>  <Form> (409)
Free Base

>  <URL> (409)
http://www.selleckchem.com/products/arry-380-ont-380.html

>  <CAS Number> (409)
937263-43-9

$$$$
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csChFnd80/07261814112D

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c-Met

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>  <URL> (410)
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>  <CAS Number> (410)
1206799-15-6

$$$$
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>  <Formula> (411)
C18H22N8O2

>  <MolWeight> (411)
382.41968

>  <Item Name> (411)
GDC-0084

>  <Catalog Number> (411)
S8163

>  <Synonyms> (411)
N/A

>  <Target> (411)
PI3K

>  <Form> (411)
Free Base

>  <URL> (411)
http://www.selleckchem.com/products/gdc-0084.html

>  <CAS Number> (411)
1382979-44-3

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (412)
3079

>  <Formula> (412)
C36H30O16

>  <MolWeight> (412)
718.6138

>  <Item Name> (412)
Salvianolic acid B

>  <Catalog Number> (412)
S4735

>  <Synonyms> (412)
Lithospermate B

>  <Target> (412)
Others

>  <Form> (412)
Free Base

>  <URL> (412)
http://www.selleckchem.com/products/salvianolic-acid-b.html

>  <CAS Number> (412)
121521-90-2

$$$$
CC-115.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (413)
3081

>  <Formula> (413)
C16H16N8O

>  <MolWeight> (413)
336.35124

>  <Item Name> (413)
CC-115

>  <Catalog Number> (413)
S7891

>  <Synonyms> (413)
N/A

>  <Target> (413)
DNA-PK

>  <Form> (413)
Free Base

>  <URL> (413)
http://www.selleckchem.com/products/cc-115.html

>  <CAS Number> (413)
1228013-15-7

$$$$
JNJ-42756493 (Erdafitinib).cdx
csChFnd80/07261814112D

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>  <Mol_ID> (414)
3088

>  <Formula> (414)
C25H30N6O2

>  <MolWeight> (414)
446.5447

>  <Item Name> (414)
JNJ-42756493 (Erdafitinib)

>  <Catalog Number> (414)
S8401

>  <Synonyms> (414)
N/A

>  <Target> (414)
FGFR

>  <Form> (414)
Free Base

>  <URL> (414)
http://www.selleckchem.com/products/jnj-42756493-erdafitinib.html

>  <CAS Number> (414)
1346242-81-6

$$$$
Y-39983 HCl.cdx
csChFnd80/07261814112D

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Y-33075 HCl

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ROCK

>  <Form> (415)
dihydrochloride

>  <URL> (415)
http://www.selleckchem.com/products/y-39983-hcl.html

>  <CAS Number> (415)
173897-44-4

$$$$
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p53

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Free Base

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http://www.selleckchem.com/products/apr-246-prima-1met.html

>  <CAS Number> (416)
5291-32-7

$$$$
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csChFnd80/07261814112D

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C26H28N4O

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N/A

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BACE

>  <Form> (417)
Free Base

>  <URL> (417)
http://www.selleckchem.com/products/azd3293-ly3314814.html

>  <CAS Number> (417)
1383982-64-6

$$$$
GSK2269557.cdx
csChFnd80/07261814112D

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GSK2269557

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S7937

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Nemiralisib

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PI3K

>  <Form> (418)
Free Base

>  <URL> (418)
http://www.selleckchem.com/products/gsk2269557.html

>  <CAS Number> (418)
1254036-71-9

$$$$
S4740 Ferulic acid (sodium).cdx
csChFnd80/07261814112D

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3107

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C10H9NaO4

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Sodium ferulate

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S4740

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Ferulic acid sodium salt

>  <Target> (419)
Thrombin

>  <Form> (419)
Sodium salt

>  <URL> (419)
http://www.selleckchem.com/products/ferulic-acid-sodium.html

>  <CAS Number> (419)
24276-84-4

$$$$
S4737 Psoralen.cdx
csChFnd80/07261814112D

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Psoralen

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psoralene, Ficusin, Furocoumarin

>  <Target> (420)
DNA/RNA Synthesis

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Free Base

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

>  <CAS Number> (420)
66-97-7

$$$$
LY3039478.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (425)
3120

>  <Formula> (425)
C10H17Cl2N3

>  <MolWeight> (425)
250.16808

>  <Item Name> (425)
1400W 2HCl

>  <Catalog Number> (425)
S8337

>  <Synonyms> (425)
N-(3-(Aminomethyl)benzyl)acetamidine

>  <Target> (425)
Others

>  <Form> (425)
dihydrochloride

>  <URL> (425)
http://www.selleckchem.com/products/1400w.html

>  <CAS Number> (425)
214358-33-5

$$$$
ARQ 092.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (426)
3121

>  <Formula> (426)
C27H25ClN6

>  <MolWeight> (426)
468.9806

>  <Item Name> (426)
Miransertib (ARQ 092)HCl

>  <Catalog Number> (426)
S8339

>  <Synonyms> (426)
Miransertib

>  <Target> (426)
Akt

>  <Form> (426)
hydrochloride

>  <URL> (426)
http://www.selleckchem.com/products/arq-092.html

>  <CAS Number> (426)
1313883-00-9

$$$$
Genistin.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (427)
3122

>  <Formula> (427)
C21H20O10

>  <MolWeight> (427)
432.3775

>  <Item Name> (427)
Genistin (Genistoside)

>  <Catalog Number> (427)
S2301

>  <Synonyms> (427)
Genistoside, Genistine, Genistein 7-glucoside, Genistein glucoside

>  <Target> (427)
Others

>  <Form> (427)
Free Base

>  <URL> (427)
http://www.selleckchem.com/products/Genistin(Genistoside).html

>  <CAS Number> (427)
529-59-9

$$$$
RRx-001.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (428)
3133

>  <Formula> (428)
C5H6BrN3O5

>  <MolWeight> (428)
268.02224

>  <Item Name> (428)
RRx-001

>  <Catalog Number> (428)
S8405

>  <Synonyms> (428)
N/A

>  <Target> (428)
Dehydrogenase

>  <Form> (428)
Free Base

>  <URL> (428)
http://www.selleckchem.com/products/rrx-001.html

>  <CAS Number> (428)
925206-65-1

$$$$
S8275-eFT-508.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (429)
3135

>  <Formula> (429)
C17H20N6O2

>  <MolWeight> (429)
340.3797

>  <Item Name> (429)
eFT-508 (eFT508)

>  <Catalog Number> (429)
S8275

>  <Synonyms> (429)
N/A

>  <Target> (429)
MNK

>  <Form> (429)
Free Base

>  <URL> (429)
http://www.selleckchem.com/products/eft-508.html

>  <CAS Number> (429)
1849590-01-7

$$$$
S4743 Wogonin.cdx
csChFnd80/07261814112D

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3137

>  <Formula> (430)
C16H12O5

>  <MolWeight> (430)
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Wogonin

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S4743

>  <Synonyms> (430)
Vogonin

>  <Target> (430)
CDK

>  <Form> (430)
Free Base

>  <URL> (430)
http://www.selleckchem.com/products/wogonin.html

>  <CAS Number> (430)
632-85-9

$$$$
CC-122.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (431)
3146

>  <Formula> (431)
C14H14N4O3

>  <MolWeight> (431)
286.28596

>  <Item Name> (431)
Avadomide(CC-122)

>  <Catalog Number> (431)
S7892

>  <Synonyms> (431)
N/A

>  <Target> (431)
E3 Ligase

>  <Form> (431)
Free Base

>  <URL> (431)
http://www.selleckchem.com/products/cc-122.html

>  <CAS Number> (431)
1015474-32-4

$$$$
S4752 Corticosterone.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (432)
3150

>  <Formula> (432)
C21H30O4

>  <MolWeight> (432)
346.4605

>  <Item Name> (432)
Corticosterone

>  <Catalog Number> (432)
S4752

>  <Synonyms> (432)
17-deoxycortisol, 11¦Â,21-dihydroxyprogesterone

>  <Target> (432)
Glucocorticoid Receptor

>  <Form> (432)
Free Base

>  <URL> (432)
http://www.selleckchem.com/products/corticosterone.html

>  <CAS Number> (432)
50-22-6

$$$$
BAY 1217389.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (433)
3152

>  <Formula> (433)
C27H24F5N5O3

>  <MolWeight> (433)
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>  <Item Name> (433)
BAY 1217389

>  <Catalog Number> (433)
S8215

>  <Synonyms> (433)
N/A

>  <Target> (433)
Kinesin

>  <Form> (433)
Free Base

>  <URL> (433)
http://www.selleckchem.com/products/bay-1217389.html

>  <CAS Number> (433)
1554458-53-5

$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (434)
3155

>  <Formula> (434)
C30H42N8O3

>  <MolWeight> (434)
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>  <Item Name> (434)
ASP8273 (Naquotinib)

>  <Catalog Number> (434)
S8412

>  <Synonyms> (434)
N/A

>  <Target> (434)
EGFR

>  <Form> (434)
Free Base

>  <URL> (434)
http://www.selleckchem.com/products/naquotinib-asp8273.html

>  <CAS Number> (434)
1448232-80-1

$$$$
LXR-623 (WAY-252623).cdx
csChFnd80/07261814112D

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>  <Mol_ID> (435)
3156

>  <Formula> (435)
C21H12ClF5N2

>  <MolWeight> (435)
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>  <Item Name> (435)
LXR-623 (WAY-252623)

>  <Catalog Number> (435)
S8390

>  <Synonyms> (435)
N/A

>  <Target> (435)
Liver X Receptor

>  <Form> (435)
Free Base

>  <URL> (435)
http://www.selleckchem.com/products/lxr-623-way-252623.html

>  <CAS Number> (435)
875787-07-8

$$$$
ONO-4059 (GS-4059).cdx
csChFnd80/07261814112D

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>  <Mol_ID> (436)
3160

>  <Formula> (436)
C25H23ClN6O3

>  <MolWeight> (436)
490.94152

>  <Item Name> (436)
ONO-4059 (GS-4059) hydrochloride

>  <Catalog Number> (436)
S8166

>  <Synonyms> (436)
N/A

>  <Target> (436)
BTK

>  <Form> (436)
hydrochloride

>  <URL> (436)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

>  <CAS Number> (436)
1439901-97-9

$$$$
ABBV-075 (Mivebresib).cdx
csChFnd80/07261814112D

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>  <Mol_ID> (437)
3165

>  <Formula> (437)
C22H19F2N3O4S

>  <MolWeight> (437)
459.4657664

>  <Item Name> (437)
ABBV-075 (Mivebresib)

>  <Catalog Number> (437)
S8400

>  <Synonyms> (437)
N/A

>  <Target> (437)
Epigenetic Reader Domain

>  <Form> (437)
Free Base

>  <URL> (437)
http://www.selleckchem.com/products/mivebresib-abbv-075.html

>  <CAS Number> (437)
1445993-26-9

$$$$
Citarinostat (ACY-241).cdx
csChFnd80/07261814112D

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JNK-930|JNKI-1

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JNK

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hydrochloride

>  <URL> (442)
http://www.selleckchem.com/products/cc-930.html

>  <CAS Number> (442)
899805-25-5 (free base)

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BLU-554.cdx
csChFnd80/07261814112D

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FGFR

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Free Base

>  <URL> (443)
http://www.selleckchem.com/products/blu-554.html

>  <CAS Number> (443)
1707289-21-1

$$$$
GSK2256098.cdx
csChFnd80/07261814112D

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>  <Target> (444)
FAK

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Free Base

>  <URL> (444)
http://www.selleckchem.com/products/gsk2256098.html

>  <CAS Number> (444)
1224887-10-8

$$$$
SRT3025.cdx
csChFnd80/07261814112D

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>  <Formula> (445)
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SRT3025 HCl

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>  <Synonyms> (445)
N/A

>  <Target> (445)
Sirtuin activator

>  <Form> (445)
hydrochloride

>  <URL> (445)
http://www.selleckchem.com/products/srt3025.html

>  <CAS Number> (445)
2070015-26-6

$$$$
CFI-400945.cdx
csChFnd80/07261814112D

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PLK

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1338806-73-7

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csChFnd80/07261814112D

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Epigenetic Reader Domain

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2-Naphthalenecarboxylic acid

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http://www.selleckchem.com/products/azd5153.html

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1869912-40-2

$$$$
VLX1570.cdx
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DUB

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free base

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1431280-51-1

$$$$
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csChFnd80/07261814112D

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XPO1

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free base

>  <URL> (449)
http://www.selleckchem.com/products/kpt-8602.html

>  <CAS Number> (449)
1642300-52-4

$$$$
TAS-102.cdx
csChFnd80/07261814112D

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S8539

>  <Synonyms> (450)
N/A

>  <Target> (450)
others

>  <Form> (450)
hydrochloride

>  <URL> (450)
http://www.selleckchem.com/products/tas-102.html

>  <CAS Number> (450)
733030-01-8

$$$$
Verubecestat (MK-8931).cdx
csChFnd80/07261814112D

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>  <Mol_ID> (451)
3220

>  <Formula> (451)
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>  <Item Name> (451)
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N/A

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BACE2 ,BACE1

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free base

>  <URL> (451)
http://www.selleckchem.com/products/verubecestat.html

>  <CAS Number> (451)
1286770-55-5

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/07261814112D

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free base

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>  <Formula> (456)
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>  <MolWeight> (456)
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>  <Item Name> (456)
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S8572

>  <Synonyms> (456)
N/A

>  <Target> (456)
Nanog

>  <Form> (456)
free base

>  <URL> (456)
http://www.selleckchem.com/products/amcasertib-bbi503.html

>  <CAS Number> (456)
1129403-56-0

$$$$
IPI-549.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (457)
3243

>  <Formula> (457)
C30H24N8O2

>  <MolWeight> (457)
528.56396

>  <Item Name> (457)
IPI-549

>  <Catalog Number> (457)
S8330

>  <Synonyms> (457)
N/A

>  <Target> (457)
PI3K¦Ã

>  <URL> (457)
http://www.selleckchem.com/products/ipi-549.html

>  <CAS Number> (457)
1693758-51-8

$$$$
GBT440.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (458)
3245

>  <Formula> (458)
C19H19N3O3

>  <MolWeight> (458)
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>  <Item Name> (458)
Voxelotor(GBT440, GTx011)

>  <Catalog Number> (458)
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>  <Synonyms> (458)
N/A

>  <Target> (458)
CYP 1A2, 2C8, 2C9, 2C19, 2D6,3A4

>  <Form> (458)
free base

>  <URL> (458)
http://www.selleckchem.com/products/gbt440.html

>  <CAS Number> (458)
1446321-46-5

$$$$
PF-06273340.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (459)
3251

>  <Formula> (459)
C23H22ClN7O3

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>  <Synonyms> (459)
N/A

>  <Target> (459)
TrkC,TrkB,TrkA

>  <Form> (459)
free base

>  <URL> (459)
http://www.selleckchem.com/products/pf-06273340.html

>  <CAS Number> (459)
1402438-74-7

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (460)
3256

>  <Formula> (460)
C19H17N5O3

>  <MolWeight> (460)
363.36998

>  <Item Name> (460)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Catalog Number> (460)
S8581

>  <Synonyms> (460)
N/A

>  <Target> (460)
PI3K¦Á 

>  <Form> (460)
Free base

>  <URL> (460)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

>  <CAS Number> (460)
1268454-23-4

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (461)
3258

>  <Formula> (461)
C2HCl2NaO2

>  <MolWeight> (461)
150.92391

>  <Item Name> (461)
Sodium dichloroacetate (DCA)

>  <Catalog Number> (461)
S8615

>  <Synonyms> (461)
bichloroacetic acid, BCA

>  <Target> (461)
PDK

>  <Form> (461)
sodium salt

>  <URL> (461)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

>  <CAS Number> (461)
2156-56-1

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/07261814112D

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>  <Mol_ID> (462)
3260

>  <Formula> (462)
C33H44FN5O3

>  <MolWeight> (462)
577.7325632

>  <Item Name> (462)
Belizatinib (TSR-011)

>  <Catalog Number> (462)
S8511

>  <Synonyms> (462)
N/A

>  <Target> (462)
ALK,TRK

>  <Form> (462)
free base

>  <URL> (462)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

>  <CAS Number> (462)
1357920-84-3

$$$$
BGB-283.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (463)
3264

>  <Formula> (463)
C25H17F3N4O3

>  <MolWeight> (463)
478.4226896

>  <Item Name> (463)
Lifirafenib (BGB-283)

>  <Catalog Number> (463)
S7926

>  <Synonyms> (463)
Beigene-283

>  <Target> (463)
RAF,EGFR

>  <Form> (463)
free base

>  <URL> (463)
http://www.selleckchem.com/products/bgb-283-bgb283.html

>  <CAS Number> (463)
1446090-79-4

$$$$
PRN1371.cdx
csChFnd80/07261814112D

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>  <Formula> (464)
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>  <Item Name> (464)
PRN1371

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>  <Synonyms> (464)
N/A

>  <Target> (464)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (464)
free base

>  <URL> (464)
http://www.selleckchem.com/products/prn1371.html

>  <CAS Number> (464)
1802929-43-6

$$$$
AG-881.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (465)
3268

>  <Formula> (465)
C14H13ClF6N6

>  <MolWeight> (465)
414.7366392

>  <Item Name> (465)
Vorasidenib (AG-881)

>  <Catalog Number> (465)
S8611

>  <Synonyms> (465)
N/A

>  <Target> (465)
IDH1,IDH2 

>  <Form> (465)
free base

>  <URL> (465)
http://www.selleckchem.com/products/ag-881.html

>  <CAS Number> (465)
1644545-52-7

$$$$
S 38093.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (466)
3269

>  <Formula> (466)
C17H24N2O2

>  <MolWeight> (466)
288.38466

>  <Item Name> (466)
S 38093

>  <Catalog Number> (466)
S8598

>  <Synonyms> (466)
N/A

>  <Target> (466)
human H3 receptor,mouse H3 receptor,rat H3 r

>  <Form> (466)
free base

>  <URL> (466)
http://www.selleckchem.com/products/S-38093.html

>  <CAS Number> (466)
862896-30-8

$$$$
Ensartinib (X-396).cdx
csChFnd80/07261814112D

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>  <Mol_ID> (467)
3270

>  <Formula> (467)
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>  <MolWeight> (467)
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>  <Item Name> (467)
Ensartinib (X-396)

>  <Catalog Number> (467)
S8230

>  <Synonyms> (467)
N/A

>  <Target> (467)
Met,ALK 

>  <Form> (467)
free base

>  <URL> (467)
http://www.selleckchem.com/products/ensartinib-x-396.html

>  <CAS Number> (467)
1370651-20-9

$$$$
Gilteritinib (ASP2215).cdx
csChFnd80/07261814112D

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    3.6373    2.8000    0.0000 N   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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 39 40  1  0  0  0  0
 40 13  1  0  0  0  0
M  END
>  <Mol_ID> (468)
3271

>  <Formula> (468)
C29H44N8O3

>  <MolWeight> (468)
552.71146

>  <Item Name> (468)
Gilteritinib (ASP2215)

>  <Catalog Number> (468)
S7754

>  <Synonyms> (468)
N/A

>  <Target> (468)
FLT3,Axl 

>  <Form> (468)
free base

>  <URL> (468)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

>  <CAS Number> (468)
1254053-43-4

$$$$
Tucidinostat (Chidamide).cdx
csChFnd80/07261814112D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    2.8000    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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  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
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  8  9  1  0  0  0  0
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  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 13 22  2  0  0  0  0
  9 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
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 27  9  1  0  0  0  0
 23 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (469)
3273

>  <Formula> (469)
C22H19FN4O2

>  <MolWeight> (469)
390.4102632

>  <Item Name> (469)
Tucidinostat (Chidamide)

>  <Catalog Number> (469)
S8567 

>  <Synonyms> (469)
HBI-8000, CS-055

>  <Target> (469)
HDAC3,HDAC10,HDAC1,HDAC2 

>  <Form> (469)
free base

>  <URL> (469)
http://www.selleckchem.com/products/tucidinostat-chidamide.html

>  <CAS Number> (469)
743420-02-2

$$$$
S4757 Dihydrotestosterone.cdx
csChFnd80/07261814112D

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.0595    2.8168    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8469    3.5124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2607    3.5124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2607    4.9075    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8469    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4406    3.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4406    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2279    2.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0436    6.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 21  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 22  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 23  1  6  0  0  0
  4  9  1  0  0  0  0
  5 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 13  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 24  1  6  0  0  0
 11 17  1  0  0  0  0
 14 18  1  1  0  0  0
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 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
  7 25  1  1  0  0  0
M  END
>  <Mol_ID> (470)
3285

>  <Formula> (470)
C19H30O2

>  <MolWeight> (470)
290.4403

>  <Item Name> (470)
Dihydrotestosterone (DHT)

>  <Catalog Number> (470)
S4757

>  <Synonyms> (470)
androstanolone, stanolone, 5¦Á-DHT

>  <Target> (470)
androgen receptor

>  <Form> (470)
free base

>  <URL> (470)
http://www.selleckchem.com/products/dihydrotestosterone.html

>  <CAS Number> (470)
521-18-6

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/07261814112D

 26 27  0  0  0  0  0  0  0  0999 V2000
   10.9118    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1346    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.1905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3366    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    4.8905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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  3  6  2  0  0  0  0
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  6 10  1  0  0  0  0
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  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
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 23 24  2  0  0  0  0
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M  END
>  <Mol_ID> (471)
3287

>  <Formula> (471)
C18H16O8

>  <MolWeight> (471)
360.31484

>  <Item Name> (471)
Rosmarinic acid

>  <Catalog Number> (471)
S3612

>  <Synonyms> (471)
Rosemary acid

>  <Target> (471)
IKK ¦Â

>  <Form> (471)
free base

>  <URL> (471)
http://www.selleckchem.com/products/rosmarinic-acid.html

>  <CAS Number> (471)
20283-92-5

$$$$
S3605 Borneol.cdx
csChFnd80/07261814112D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.6382    1.8442    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.0028    1.1012    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    1.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3473    1.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
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  3  9  1  0  0  0  0
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  4 11  1  0  0  0  0
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M  END
>  <Mol_ID> (472)
3290

>  <Formula> (472)
C10H18O

>  <MolWeight> (472)
154.24932

>  <Item Name> (472)
Borneol

>  <Catalog Number> (472)
S3605

>  <Synonyms> (472)
N/A

>  <Target> (472)
TRPM8

>  <Form> (472)
free base

>  <URL> (472)
http://www.selleckchem.com/products/borneol.html

>  <CAS Number> (472)
507-70-0

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/07261814112D

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.1810    2.1435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019    0.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012    2.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.0618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0256    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8488    4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    4.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (473)
3310

>  <Formula> (473)
C5H12N2S2

>  <MolWeight> (473)
164.29218

>  <Item Name> (473)
Pyrrolidinedithiocarbamate ammonium

>  <Catalog Number> (473)
S3633

>  <Synonyms> (473)
APDC, PDTC

>  <Target> (473)
NF-¦ÊB

>  <Form> (473)
ammonium salt

>  <URL> (473)
http://www.selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

>  <CAS Number> (473)
5108-96-3

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/07261814112D

 65 69  0  0  0  0  0  0  0  0999 V2000
   13.3576    6.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    4.8745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3576    5.5532    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.4287    3.4637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8752    9.1247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9289    5.5710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   16.0720   12.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2143    5.5888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    6.9996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1074   11.2142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5361    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7147    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3576    4.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4465    9.1605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8398   11.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9110    1.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9647    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3756   11.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7863    8.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9289    4.1959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542    6.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2148    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
 13  1  2  0  0  0  0
 20  1  1  0  0  0  0
  2  3  1  0  0  0  0
 31  2  1  0  0  0  0
  2 49  1  1  0  0  0
  8  2  1  0  0  0  0
 34  3  1  0  0  0  0
  3 51  1  6  0  0  0
  4  8  1  0  0  0  0
 19  4  1  0  0  0  0
 33  4  1  0  0  0  0
  4 50  1  1  0  0  0
  5 10  1  0  0  0  0
 16  5  1  0  0  0  0
  5 22  1  1  0  0  0
  6 12  1  0  0  0  0
 17  6  1  0  0  0  0
  6 27  1  6  0  0  0
  7 11  1  0  0  0  0
  7 28  1  6  0  0  0
 18  7  1  0  0  0  0
  8 15  1  0  0  0  0
  8 59  1  6  0  0  0
  9 22  1  0  0  0  0
 11  9  1  0  0  0  0
 14  9  1  0  0  0  0
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 12 10  1  0  0  0  0
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 15 13  1  0  0  0  0
 21 14  1  0  0  0  0
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 36 15  2  0  0  0  0
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 19 35  1  0  0  0  0
 25 20  1  0  0  0  0
 26 20  1  0  0  0  0
 20 60  1  6  0  0  0
 21 48  1  6  0  0  0
 55 23  1  0  0  0  0
 56 23  1  0  0  0  0
 23 30  1  0  0  0  0
 24 25  1  0  0  0  0
 24 32  1  1  0  0  0
 24 57  1  6  0  0  0
 39 24  1  0  0  0  0
 37 26  1  0  0  0  0
 40 26  1  0  0  0  0
 26 58  1  1  0  0  0
 42 27  2  0  0  0  0
 52 27  1  0  0  0  0
 41 28  2  0  0  0  0
 53 28  1  0  0  0  0
 30 29  1  1  0  0  0
 30 38  1  0  0  0  0
 35 31  1  0  0  0  0
 43 32  2  0  0  0  0
 54 32  1  0  0  0  0
 38 33  1  0  0  0  0
 37 34  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (474)
3311

>  <Formula> (474)
C42H68N2O16

>  <MolWeight> (474)
856.99312

>  <Item Name> (474)
Diammonium Glycyrrhizinate

>  <Catalog Number> (474)
S3622

>  <Synonyms> (474)
N/A

>  <Target> (474)
Others

>  <Form> (474)
ammonium salt 

>  <URL> (474)
http://www.selleckchem.com/products/diammonium-glycyrrhizinate.html

>  <CAS Number> (474)
79165-06-3

$$$$
S3610 Cordycepin.cdx
csChFnd80/07261814112D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.8869    5.3861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156    5.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4576    4.0535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0612    6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156    7.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4293    5.1212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1289    3.6176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2832    2.9247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8813    7.6513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4267    7.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6450    5.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1289    2.2177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4631    1.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4267    9.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
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  5  9  1  0  0  0  0
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  8 13  1  0  0  0  0
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 12 13  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (475)
3319

>  <Formula> (475)
C10H13N5O3

>  <MolWeight> (475)
251.24192

>  <Item Name> (475)
Cordycepin

>  <Catalog Number> (475)
S3610

>  <Synonyms> (475)
N/A

>  <Target> (475)
Others

>  <Form> (475)
free base

>  <URL> (475)
http://www.selleckchem.com/products/cordycepin.html

>  <CAS Number> (475)
73-03-0

$$$$
S3625 Tyramine.cdx
csChFnd80/07261814112D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.6425    2.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    0.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    2.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    2.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2260    0.7078    0.0000 C   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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  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (476)
3322

>  <Formula> (476)
C8H11NO

>  <MolWeight> (476)
137.17904

>  <Item Name> (476)
Tyramine

>  <Catalog Number> (476)
S3625

>  <Synonyms> (476)
4-hydroxyphenethylamine, para-tyramine, mydrial, uteramin

>  <Target> (476)
Others

>  <Form> (476)
free base

>  <URL> (476)
http://www.selleckchem.com/products/tyramine.html

>  <CAS Number> (476)
51-67-2

$$$$
S3676 Carbendazim.cdx
csChFnd80/07261814112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4531    0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    2.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5972    1.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0381    0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0789    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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  8  9  1  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
M  END
>  <Mol_ID> (477)
3339

>  <Formula> (477)
C9H9N3O2

>  <MolWeight> (477)
191.18666

>  <Item Name> (477)
Carbendazim

>  <Catalog Number> (477)
S3676

>  <Synonyms> (477)
Mercarzole, Carbendazole

>  <Target> (477)
Others

>  <Form> (477)
free base

>  <URL> (477)
http://www.selleckchem.com/products/carbendazim.html

>  <CAS Number> (477)
10605-21-7

$$$$
S3668 Thymopentin.cdx
csChFnd80/07261814112D

 48 48  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (478)
3343

>  <Formula> (478)
C30H49N9O9

>  <MolWeight> (478)
679.76496

>  <Item Name> (478)
Thymopentin

>  <Catalog Number> (478)
S3668

>  <Synonyms> (478)
TP5

>  <Target> (478)
Immunology & Inflammation related

>  <Form> (478)
free base

>  <URL> (478)
http://www.selleckchem.com/products/thymopentin.html

>  <CAS Number> (478)
69558-55-0

$$$$
S3674 Levamlodipine.cdx
csChFnd80/07261814112D

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 13  4  1  0  0  0  0
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (479)
3347

>  <Formula> (479)
C20H25ClN2O5

>  <MolWeight> (479)
408.8759

>  <Item Name> (479)
Levamlodipine

>  <Catalog Number> (479)
S3674

>  <Synonyms> (479)
S-amlodipine

>  <Target> (479)
calcium channel

>  <Form> (479)
free base

>  <URL> (479)
http://www.selleckchem.com/products/levamlodipine.html

>  <CAS Number> (479)
103129-82-4

$$$$
S3713 Moxidectin.cdx
csChFnd80/07261814112D

 48 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (480)
3355

>  <Formula> (480)
C37H53NO8

>  <MolWeight> (480)
639.81862

>  <Item Name> (480)
Moxidectin

>  <Catalog Number> (480)
S3713

>  <Synonyms> (480)
milbemycin B

>  <Target> (480)
Antifection

>  <Form> (480)
free base

>  <URL> (480)
http://www.selleckchem.com/products/moxidectin.html

>  <CAS Number> (480)
113507-06-5

$$$$
S3656 Piribedil.cdx
csChFnd80/07261814112D

 22 25  0  0  0  0  0  0  0  0999 V2000
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    4.8495    4.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    4.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    2.8064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    2.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    2.8050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.7008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  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  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> (481)
3375

>  <Formula> (481)
C16H18N4O2

>  <MolWeight> (481)
298.33972

>  <Item Name> (481)
Piribedil

>  <Catalog Number> (481)
S3656

>  <Synonyms> (481)
Trivastal, Trivastan

>  <Target> (481)
D3 receptor,adrenoceptor ¦Á2,D2 receptor

>  <Form> (481)
free base

>  <URL> (481)
http://www.selleckchem.com/products/piribedil.html

>  <CAS Number> (481)
3605-01-4

$$$$
S3657 Promestriene.cdx
csChFnd80/07261814112D

 27 30  0  0  0  0  0  0  0  0999 V2000
    9.6808    2.1088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4594    2.7969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9023    2.7969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6808    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2479    2.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4594    4.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9023    4.1778    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1984    2.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4594    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2479    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0715    2.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6808    4.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2383    4.5865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9221    5.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0111    3.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0316    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    2.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7268    5.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0867    6.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5888    0.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181    0.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1663    0.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6808    3.4848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4594    1.3810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9023    1.3810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 25  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 26  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 27  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  1  0  0  0
  7 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 13 18  1  1  0  0  0
 13 15  1  0  0  0  0
 16 19  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 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> (482)
3376

>  <Formula> (482)
C22H32O2

>  <MolWeight> (482)
328.48828

>  <Item Name> (482)
Promestriene

>  <Catalog Number> (482)
S3657

>  <Synonyms> (482)
3-propyl ethyl, 17B-methyl estradiol

>  <Target> (482)
Estrogen Receptor

>  <Form> (482)
free base

>  <URL> (482)
http://www.selleckchem.com/products/promestriene.html

>  <CAS Number> (482)
39219-28-8

$$$$
S3658 O6-Benzylguanine.cdx
csChFnd80/07261814112D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.6598    2.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    2.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6598    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604    2.5247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    2.0869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    4.1782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604    0.2725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7737    1.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6598    4.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6598    6.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    6.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799    6.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    8.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799    8.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6598    9.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  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  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (483)
3377

>  <Formula> (483)
C12H11N5O

>  <MolWeight> (483)
241.24864

>  <Item Name> (483)
O6-Benzylguanine

>  <Catalog Number> (483)
S3658

>  <Synonyms> (483)
O6-BG

>  <Target> (483)
O6-alkylguanine DNA alkyltransferase

>  <Form> (483)
free base

>  <URL> (483)
http://www.selleckchem.com/products/o6-benzylguanine.html

>  <CAS Number> (483)
19916-73-5

$$$$
S3720 Elafibranor.cdx
csChFnd80/07261814112D

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 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
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    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
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 O   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
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2468    3.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    3.3124    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 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
 23 25  2  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
M  END
>  <Mol_ID> (484)
3396

>  <Formula> (484)
C22H24O4S

>  <MolWeight> (484)
384.48856

>  <Item Name> (484)
Elafibranor

>  <Catalog Number> (484)
S3720

>  <Synonyms> (484)
GFT505

>  <Target> (484)
PPAR¦Á,PPAR¦Ä

>  <Form> (484)
free base

>  <URL> (484)
http://www.selleckchem.com/products/elafibranor.html

>  <CAS Number> (484)
923978-27-2

$$$$
S3721 Bilastine.cdx
csChFnd80/07261814112D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.5408    2.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7678    1.4543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7590    3.6934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    3.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4626    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7461    2.5864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9408    2.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0722    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6419    3.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6396    1.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3674    2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3674    0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0519    1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0489    3.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2116    5.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1579    2.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2626    1.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9577    0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9579    2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8526    1.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    3.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2193    1.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0378    6.6134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5852    5.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4115    6.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0192    1.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8641    8.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8626    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4626    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4626    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5626    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5626    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
  5  2  1  0  0  0  0
  4  3  1  0  0  0  0
 16  3  1  0  0  0  0
 22  4  1  0  0  0  0
  5  4  2  0  0  0  0
 23  5  1  0  0  0  0
  6  9  1  0  0  0  0
  7 14  1  0  0  0  0
 17  7  1  0  0  0  0
  7 15  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
  9 13  1  0  0  0  0
  9 12  2  0  0  0  0
 15 10  1  0  0  0  0
 14 11  1  0  0  0  0
 12 20  1  0  0  0  0
 13 19  2  0  0  0  0
 25 16  1  0  0  0  0
 21 17  1  0  0  0  0
 18 21  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 27 22  2  0  0  0  0
 28 23  2  0  0  0  0
 24 25  1  0  0  0  0
 26 24  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
 30 33  2  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (485)
3397

>  <Formula> (485)
C28H37N3O3

>  <MolWeight> (485)
463.61168

>  <Item Name> (485)
Bilastine

>  <Catalog Number> (485)
S3721

>  <Synonyms> (485)
N/A

>  <Target> (485)
H1 receptor

>  <Form> (485)
free base

>  <URL> (485)
http://www.selleckchem.com/products/bilastine.html

>  <CAS Number> (485)
202189-78-4

$$$$
S3685 4-Biphenylacetic acid.cdx
csChFnd80/07261814112D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3001    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5003    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  1  6  2  0  0  0  0
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 10 11  2  0  0  0  0
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  4 14  1  0  0  0  0
M  END
>  <Mol_ID> (486)
3421

>  <Formula> (486)
C14H12O2

>  <MolWeight> (486)
212.24388

>  <Item Name> (486)
4-Biphenylacetic acid

>  <Catalog Number> (486)
S3685

>  <Synonyms> (486)
BPA

>  <Target> (486)
Immunology & Inflammation related

>  <Form> (486)
free base

>  <URL> (486)
http://www.selleckchem.com/products/4-biphenylacetic-acid.html

>  <CAS Number> (486)
5728-52-9

$$$$
S3715 Boldenone Undecylenate.cdx
csChFnd80/07261814112D

 36 39  0  0  0  0  0  0  0  0999 V2000
    9.7117    2.1172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4961    2.8161    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9231    2.8158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9231    4.2270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2612    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   10.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9231    1.4158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0691    5.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  5 10  1  0  0  0  0
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  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  2  0  0  0  0
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 13 14  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  1  0  0  0  0
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 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
  5 32  1  1  0  0  0
  1 33  1  1  0  0  0
  2 34  1  6  0  0  0
  3 35  1  6  0  0  0
  7 36  1  1  0  0  0
M  END
>  <Mol_ID> (487)
3429

>  <Formula> (487)
C30H44O3

>  <MolWeight> (487)
452.66856

>  <Item Name> (487)
Boldenone Undecylenate

>  <Catalog Number> (487)
S3715

>  <Synonyms> (487)
N/A

>  <Target> (487)
androgen receptor

>  <Form> (487)
free base

>  <URL> (487)
http://www.selleckchem.com/products/boldenone-undecylenate.html

>  <CAS Number> (487)
13103-34-9

$$$$
Cinchonine.cdx
csChFnd80/07261814112D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8087    5.0754    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  1  0  0  0  0
  7 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
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 19 24  1  1  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (488)
3446

>  <Formula> (488)
C19H22N2O

>  <MolWeight> (488)
294.39078

>  <Catalog Number> (488)
S2283

>  <Synonyms> (488)
N/A

>  <Target> (488)
Others

>  <Form> (488)
free base

>  <URL> (488)
http://www.selleckchem.com/products/cinchonine.html

>  <CAS Number> (488)
118-10-5

$$$$
S3666 Ilaprazole.cdx
csChFnd80/07261814112D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.8497    1.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1813    1.2906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1806    3.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6366    3.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4248    1.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0038    2.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243    3.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4038    2.4240    0.0000 S   0  0  3  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
  4  8  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
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
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 16 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (489)
3449

>  <Formula> (489)
C19H18N4O2S

>  <MolWeight> (489)
366.43682

>  <Item Name> (489)
Ilaprazole

>  <Catalog Number> (489)
S3666

>  <Synonyms> (489)
IY-81149

>  <Target> (489)
Proton pump,TOPK 

>  <Form> (489)
free base

>  <URL> (489)
http://www.selleckchem.com/products/ilaprazole.html

>  <CAS Number> (489)
172152-36-2

$$$$
S3654 Tauroursodeoxycholic Acid.cdx
csChFnd80/07261814112D

 38 41  0  0  0  0  0  0  0  0999 V2000
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    6.1539    2.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3740    4.9040    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.9278    3.5012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1539    1.4205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7061    5.3285    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1362    5.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6450    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4960    4.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    2.8115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9278    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7281    5.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7438    9.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7810    9.8848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3976    2.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1539    4.1968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278    2.0985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 35  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 36  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  1  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 37  1  6  0  0  0
  6 13  1  0  0  0  0
  6 14  1  1  0  0  0
  7 15  1  0  0  0  0
  7 10  1  1  0  0  0
  8 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  1  0  0  0
 13 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  6  0  0  0
 16 21  1  0  0  0  0
 16 38  1  1  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  6  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 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
 31 33  2  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (490)
3472

>  <Formula> (490)
C26H45NO6S

>  <MolWeight> (490)
499.7036

>  <Item Name> (490)
Tauroursodeoxycholic Acid

>  <Catalog Number> (490)
S3654

>  <Synonyms> (490)
N/A

>  <Target> (490)
Others

>  <Form> (490)
free base

>  <URL> (490)
http://www.selleckchem.com/products/tauroursodeoxycholic-acid.html

>  <CAS Number> (490)
14605-22-2

$$$$
S3941 Pinocembrin.cdx
csChFnd80/07261814112D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    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
    4.8497    4.9000    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
    4.8497    2.1000    0.0000 O   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
    6.0622    4.2000    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
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  1  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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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  1  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
M  END
>  <Mol_ID> (491)
3477

>  <Formula> (491)
C15H12O4

>  <MolWeight> (491)
256.25338

>  <Item Name> (491)
Pinocembrin

>  <Catalog Number> (491)
S3941

>  <Synonyms> (491)
Pinocembrin

>  <Target> (491)
Antifection

>  <Form> (491)
free base

>  <URL> (491)
http://www.selleckchem.com/products/pinocembrin.html

>  <CAS Number> (491)
480-39-7

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/07261814112D

 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> (492)
3481

>  <Formula> (492)
C18H22O4

>  <MolWeight> (492)
302.36488

>  <Item Name> (492)
Nordihydroguaiaretic acid

>  <Catalog Number> (492)
S3984

>  <Synonyms> (492)
N/A

>  <Target> (492)
lipoxygenase

>  <Form> (492)
free base

>  <URL> (492)
http://www.selleckchem.com/products/nordihydroguaiaretic-acid.html

>  <CAS Number> (492)
500-38-9

$$$$
S3944 Valproic acid.cdx
csChFnd80/07261814112D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.1078    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    4.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (493)
3486

>  <Formula> (493)
C8H16O2

>  <MolWeight> (493)
144.21144

>  <Item Name> (493)
Valproic acid

>  <Catalog Number> (493)
S3944

>  <Synonyms> (493)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (493)
HDAC1

>  <Form> (493)
free base

>  <URL> (493)
http://www.selleckchem.com/products/valproic-acid.html

>  <CAS Number> (493)
99-66-1

$$$$
S3756 Methyl salicylate.cdx
csChFnd80/07261814112D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4046    2.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6037    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1786    2.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046    4.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5868    0.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8161    2.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1702    0.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1956    4.9155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    4.9194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (494)
3500

>  <Formula> (494)
C8H8O3

>  <MolWeight> (494)
152.14732

>  <Item Name> (494)
Methyl salicylate

>  <Catalog Number> (494)
S3756

>  <Synonyms> (494)
2-Carbomethoxyphenol, Betula oil, Gaultheria oil, Methyl 2-hydroxybenzoate, Natural wintergreen oil

>  <Target> (494)
TRPA1,TRPV1

>  <Form> (494)
free base

>  <URL> (494)
http://www.selleckchem.com/products/methyl-salicylate.html

>  <CAS Number> (494)
119-36-8

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/07261814112D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.2770    2.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8858    3.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9751    4.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1192    1.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8043    4.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433    5.0390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3108    4.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5318    1.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6181    5.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    3.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    3.0422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917    5.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    4.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    5.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7130    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  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  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (495)
3506

>  <Formula> (495)
C13H13ClN2O

>  <MolWeight> (495)
248.70812

>  <Item Name> (495)
Harmine hydrochloride

>  <Catalog Number> (495)
S3817

>  <Synonyms> (495)
telepathine hydrochloride

>  <Target> (495)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (495)
hydrochloride

>  <URL> (495)
http://www.selleckchem.com/products/harmine-hydrochloride.html

>  <CAS Number> (495)
343-27-1

$$$$
S3823 Schizandrol A.cdx
csChFnd80/07261814112D

 31 33  0  0  0  0  0  0  0  0999 V2000
    3.9063    5.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9134    6.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913    4.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5524    4.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9083    7.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5631    6.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5222    2.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2913    4.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831    3.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5674    5.6855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5528    8.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3083    7.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2074    8.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    6.4598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1681    2.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2863    5.0292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8290    2.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2132    5.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024    9.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2933    6.4292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8569    8.5385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990    0.9948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9802    3.8132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6402    5.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4599    1.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8467   10.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    6.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5014    9.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7839    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   11.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (496)
3511

>  <Formula> (496)
C24H32O7

>  <MolWeight> (496)
432.50668

>  <Item Name> (496)
Schizandrol A

>  <Catalog Number> (496)
S3823

>  <Synonyms> (496)
N/A

>  <Target> (496)
Others

>  <Form> (496)
free base

>  <URL> (496)
http://www.selleckchem.com/products/schizandrol-a.html

>  <CAS Number> (496)
7432-28-2

$$$$
S3840 Baohuoside I.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (497)
3523

>  <Formula> (497)
C27H30O10

>  <MolWeight> (497)
514.5211

>  <Item Name> (497)
Baohuoside I

>  <Catalog Number> (497)
S3840

>  <Synonyms> (497)
Icariside II

>  <Target> (497)
ROS

>  <URL> (497)
http://www.selleckchem.com/products/baohuoside-i.html

>  <CAS Number> (497)
113558-15-9

$$$$
S3841 Eleutheroside B.cdx
csChFnd80/07261814112D

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.0606    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6357    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4855    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> (498)
3524

>  <Formula> (498)
C17H24O9

>  <MolWeight> (498)
372.36706

>  <Item Name> (498)
Eleutheroside B

>  <Catalog Number> (498)
S3841

>  <Synonyms> (498)
syringin, Syringoside, Lilacin

>  <Target> (498)
Others

>  <Form> (498)
free base

>  <URL> (498)
http://www.selleckchem.com/products/eleutheroside-b.html

>  <CAS Number> (498)
118-34-3

$$$$
S3968 Histamine.cdx
csChFnd80/07261814112D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (499)
3528

>  <Formula> (499)
C5H9N3

>  <MolWeight> (499)
111.14506

>  <Item Name> (499)
Histamine

>  <Catalog Number> (499)
S3968

>  <Synonyms> (499)
N/A

>  <Target> (499)
Histamine receptor

>  <Form> (499)
free base

>  <URL> (499)
http://www.selleckchem.com/products/histamine.html

>  <CAS Number> (499)
51-45-6

$$$$
S3780 Secoisolariciresinol diglucoside.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (500)
3554

>  <Formula> (500)
C32H46O16

>  <MolWeight> (500)
686.69804

>  <Item Name> (500)
Secoisolariciresinol diglucoside

>  <Catalog Number> (500)
S3780

>  <Synonyms> (500)
N/A

>  <Target> (500)
Others

>  <Form> (500)
free base

>  <URL> (500)
http://www.selleckchem.com/products/secoisolariciresinol-diglucoside.html

>  <CAS Number> (500)
148244-82-0

$$$$
S3755 Betaine.cdx
csChFnd80/07261814112D

  8  7  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 N   0  3  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
    0.5124    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.1876    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
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  5  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  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (501)
3565

>  <Formula> (501)
C5H11NO2

>  <MolWeight> (501)
117.14634

>  <Item Name> (501)
Betaine

>  <Catalog Number> (501)
S3755

>  <Synonyms> (501)
trimethylglycine, glycine betaine, lycine, oxyneurine

>  <Target> (501)
Others

>  <Form> (501)
inner salt

>  <URL> (501)
http://www.selleckchem.com/products/betaine.html

>  <CAS Number> (501)
107-43-7

$$$$
S3853 Perillyl alcohol.cdx
csChFnd80/07261814112D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4227    2.0938    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4299    3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    1.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    4.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8543    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0950    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
    4.8615    3.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0718    4.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2842    3.4781    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
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  9 10  1  0  0  0  0
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M  END
>  <Mol_ID> (502)
3567

>  <Formula> (502)
C10H16O

>  <MolWeight> (502)
152.23344

>  <Item Name> (502)
Perillyl alcohol

>  <Catalog Number> (502)
S3853

>  <Synonyms> (502)
Perilla alcohol, Isocarveol

>  <Target> (502)
Others

>  <Form> (502)
free base

>  <URL> (502)
http://www.selleckchem.com/products/perillyl-alcohol.html

>  <CAS Number> (502)
536-59-4

$$$$
S3948 Spermine.cdx
csChFnd80/07261814112D

 14 13  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  9 10  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (503)
3578

>  <Formula> (503)
C10H26N4

>  <MolWeight> (503)
202.34024

>  <Item Name> (503)
Spermine

>  <Catalog Number> (503)
S3948

>  <Synonyms> (503)
4,9-Diaza-1,12-dodecanediamine

>  <Target> (503)
Others

>  <Form> (503)
free base

>  <URL> (503)
http://www.selleckchem.com/products/spermine.html

>  <CAS Number> (503)
71-44-3

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/07261814112D

 72 78  0  0  0  0  0  0  0  0999 V2000
    6.0656    3.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6408    3.4994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6415    2.0994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8543    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4280    4.1987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    1.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (504)
3585

>  <Formula> (504)
C48H82O18

>  <MolWeight> (504)
947.15388

>  <Item Name> (504)
Ginsenoside Re

>  <Catalog Number> (504)
S3811

>  <Synonyms> (504)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (504)
Others

>  <Form> (504)
free base

>  <URL> (504)
http://www.selleckchem.com/products/ginsenoside-re.html

>  <CAS Number> (504)
52286-59-6

$$$$
S3812 Monocrotaline.cdx
csChFnd80/07261814112D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  6  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  1  0  0  0
 16 21  1  6  0  0  0
 16 18  1  0  0  0  0
 18 22  1  6  0  0  0
 18 23  1  1  0  0  0
M  END
>  <Mol_ID> (505)
3586

>  <Formula> (505)
C16H23NO6

>  <MolWeight> (505)
325.35692

>  <Item Name> (505)
Monocrotaline

>  <Catalog Number> (505)
S3812

>  <Synonyms> (505)
Crotaline

>  <Target> (505)
Others

>  <Form> (505)
free base

>  <URL> (505)
http://www.selleckchem.com/products/monocrotaline.html

>  <CAS Number> (505)
315-22-0

$$$$
S3891 Vincamine.cdx
csChFnd80/07261814112D

 27 31  0  0  0  0  0  0  0  0999 V2000
    5.0498    4.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1657    3.0634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4215    3.8093    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6096    5.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    1.7320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7213    3.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8690    2.5287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3382    4.8681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0197    5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5119    6.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9521    1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2270    1.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5660    0.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    3.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2370    2.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3201    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8799    6.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7062    4.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8301    6.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7286    0.2148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3539    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1683    3.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6991    0.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128    5.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3534    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0249    5.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 27  1  6  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  6  0  0  0
  5 13  1  1  0  0  0
  6 14  2  0  0  0  0
  6  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  6  0  0  0
  7 11  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  2  0  0  0  0
 10 17  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 18 23  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (506)
3593

>  <Formula> (506)
C21H26N2O3

>  <MolWeight> (506)
354.44274

>  <Item Name> (506)
Vincamine

>  <Catalog Number> (506)
S3891

>  <Synonyms> (506)
Angiopac, Devincan, Equipur, Minorin, Novicet, Oxybral, Perval, Sostenil, Tripervan

>  <Target> (506)
Others

>  <Form> (506)
free base

>  <URL> (506)
http://www.selleckchem.com/products/vincamine.html

>  <CAS Number> (506)
1617-90-9

$$$$
S3813 Bakuchiol.cdx
csChFnd80/07261814112D

 19 19  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   0  0  1  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
    8.4795    2.0870    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
    9.6993    2.7739    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
   10.9042    2.0610    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
   12.1241    2.7479    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1391    4.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3289    2.0349    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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2821    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    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  2  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  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  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 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  1  0  0  0
  1 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (507)
3618

>  <Formula> (507)
C18H24O

>  <MolWeight> (507)
256.38256

>  <Item Name> (507)
Bakuchiol

>  <Catalog Number> (507)
S3813

>  <Synonyms> (507)
(S)-(+)-Bakuchiol

>  <Target> (507)
Immunology & Inflammation related

>  <Form> (507)
free base

>  <URL> (507)
http://www.selleckchem.com/products/bakuchiol.html

>  <CAS Number> (507)
10309-37-2

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/07261814112D

 32 37  0  0  0  0  0  0  0  0999 V2000
    6.0576    3.5342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2155    4.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    3.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168    5.6360    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6325    4.9289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6263    3.5288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8359    2.8234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0574    4.9185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2654    5.6136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    4.8968    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4490    3.5006    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8595    3.4670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8789    4.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    5.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    2.1356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4354    2.1073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2162    1.4191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7242    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7242    3.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    7.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199    6.3290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6128    2.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1026    5.5434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8352    1.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8357    2.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6422    1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7849    4.6107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2050    0.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6306    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6277    0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0379    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
 11  1  1  0  0  0  0
  1  7  1  6  0  0  0
  1 15  1  0  0  0  0
  4  2  1  0  0  0  0
  2 23  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4 20  1  1  0  0  0
  5  4  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  1  0  0  0
  5  6  1  0  0  0  0
  6 22  1  1  0  0  0
  6  7  1  0  0  0  0
  7 25  1  1  0  0  0
  8 18  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 14 10  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 26  1  6  0  0  0
 12 13  1  0  0  0  0
 13 24  2  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  1  0  0  0
 16 17  1  0  0  0  0
 16 27  1  6  0  0  0
 17 29  1  6  0  0  0
 18 19  1  0  0  0  0
 18 28  2  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (508)
3622

>  <Formula> (508)
C20H24O11

>  <MolWeight> (508)
440.39796

>  <Item Name> (508)
Ginkgolide C

>  <Catalog Number> (508)
S3781

>  <Synonyms> (508)
BN-52022

>  <Target> (508)
Others

>  <Form> (508)
free base

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

>  <CAS Number> (508)
15291-76-6

$$$$
S3791 Succinic acid.cdx
csChFnd80/07261814112D

  8  7  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    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   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  3  1  0  0  0  0
  1  2  2  0  0  0  0
  1  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
  6  8  2  0  0  0  0
M  END
>  <Mol_ID> (509)
3628

>  <Formula> (509)
C4H6O4

>  <MolWeight> (509)
118.08804

>  <Item Name> (509)
Succinic acid

>  <Catalog Number> (509)
S3791

>  <Synonyms> (509)
1,4-Butandioic Acid; 1,2-Ethanedicarboxylic acid; Amber acid; Asuccin; Butanedioic acid

>  <Target> (509)
Others

>  <Form> (509)
free base

>  <URL> (509)
http://www.selleckchem.com/products/succinic-acid.html

>  <CAS Number> (509)
110-15-6

$$$$
S3872 Guaiacol.cdx
csChFnd80/07261814112D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4266    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2151    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    2.7981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2151    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520    2.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (510)
3659

>  <Formula> (510)
C7H8O2

>  <MolWeight> (510)
124.13722

>  <Item Name> (510)
Guaiacol

>  <Catalog Number> (510)
S3872

>  <Synonyms> (510)
o-methoxyphenol, 2-hydroxyanisole, O-methylcatechol

>  <Target> (510)
Others

>  <Form> (510)
free base

>  <URL> (510)
http://www.selleckchem.com/products/guaiacol.html

>  <CAS Number> (510)
90-05-1

$$$$
S3923 Ginsenoside Rg1.cdx
csChFnd80/07261814112D

 59 64  0  0  0  0  0  0  0  0999 V2000
    4.8233   10.3438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0421    9.6825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6045    9.6825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8009   11.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2386   10.3438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0421    8.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0421   11.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6045    8.2409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4154   10.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6045   11.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9974   12.4693    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2386   11.7632    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5837    9.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2386    8.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8233    7.5347    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4154    7.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966    9.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9752   13.8665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5465   12.2239    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3862   11.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966    8.2409    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9918    6.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (511)
3666

>  <Formula> (511)
C42H72O14

>  <MolWeight> (511)
801.01268

>  <Item Name> (511)
Ginsenoside Rg1

>  <Catalog Number> (511)
S3923

>  <Synonyms> (511)
Ginsenoside A2, Panaxoside A, Panaxoside Rg1, Sanchinoside C1, Sanchinoside Rg1

>  <Target> (511)
Others

>  <Form> (511)
free base

>  <URL> (511)
http://www.selleckchem.com/products/ginsenoside-rg1.html

>  <CAS Number> (511)
22427-39-0

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (512)
3667

>  <Formula> (512)
C54H92O23

>  <MolWeight> (512)
1109.29448

>  <Item Name> (512)
Ginsenoside Rb1

>  <Catalog Number> (512)
S3924

>  <Synonyms> (512)
Gypenoside ¢ó

>  <Target> (512)
Others

>  <Form> (512)
free base

>  <URL> (512)
http://www.selleckchem.com/products/ginsenoside-rb1.html

>  <CAS Number> (512)
41753-43-9

$$$$
S3850 Glucosamine sulfate.cdx
csChFnd80/07261814112D

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    0.0000    6.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  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
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  6  0  0  0
  7 10  1  0  0  0  0
  7 11  1  6  0  0  0
  8 12  1  0  0  0  0
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 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (513)
3680

>  <Formula> (513)
C6H15NO9S

>  <MolWeight> (513)
277.2496

>  <Item Name> (513)
Glucosamine sulfate

>  <Catalog Number> (513)
S3850

>  <Synonyms> (513)
D-Glucosaminesulfate, D-Glucosamine sulphate

>  <Target> (513)
Others

>  <Form> (513)
sulfate

>  <URL> (513)
http://www.selleckchem.com/products/glucosamine-sulfate.html

>  <CAS Number> (513)
29031-19-4

$$$$
S3856 Allantoin.cdx
csChFnd80/07261814112D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6434    0.7015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9245    0.1443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7899    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.0015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8573    1.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1597    2.3948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7468    3.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2505    1.0592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    2.0975    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
  3  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
  5  6  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (514)
3685

>  <Formula> (514)
C4H6N4O3

>  <MolWeight> (514)
158.11544

>  <Item Name> (514)
Allantoin

>  <Catalog Number> (514)
S3856

>  <Synonyms> (514)
Glyoxyldiureide, 5-Ureidohydantoin

>  <Target> (514)
Others

>  <Form> (514)
free base

>  <URL> (514)
http://www.selleckchem.com/products/allantoin.html

>  <CAS Number> (514)
97-59-6

$$$$
S3905 Iso-Steviol.cdx
csChFnd80/07261814112D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.3124    5.1121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5002    4.4339    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1010    4.4339    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3124    6.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7352    5.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5002    3.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3582    4.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1010    3.0031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8896    5.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1010    5.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5002    7.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7352    6.4922    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3124    2.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3582    6.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8896    2.3013    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6782    4.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7352    7.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500    7.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6782    3.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3565    1.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4464    1.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1562    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1010    1.6739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124    3.7121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  6  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 13  1  0  0  0  0
  8 24  1  1  0  0  0
  9 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 14  1  6  0  0  0
 14 18  2  0  0  0  0
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 15 20  1  6  0  0  0
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 16 19  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
  1 25  1  1  0  0  0
M  END
>  <Mol_ID> (515)
3699

>  <Formula> (515)
C20H30O3

>  <MolWeight> (515)
318.4504

>  <Item Name> (515)
Iso-Steviol

>  <Catalog Number> (515)
S3905

>  <Synonyms> (515)
N/A

>  <Target> (515)
Others

>  <Form> (515)
free base

>  <URL> (515)
http://www.selleckchem.com/products/iso-steviol.html

>  <CAS Number> (515)
27975-19-5

$$$$
S3876 Indigo.cdx
csChFnd80/07261814112D

 20 23  0  0  0  0  0  0  0  0999 V2000
    5.9793    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8022    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8022    3.5967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1336    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3695    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1336    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    4.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7641    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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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 12  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (516)
3710

>  <Formula> (516)
C16H10N2O2

>  <MolWeight> (516)
262.2628

>  <Item Name> (516)
Indigo

>  <Catalog Number> (516)
S3876

>  <Synonyms> (516)
Indigotin

>  <Target> (516)
Others

>  <Form> (516)
free base

>  <URL> (516)
http://www.selleckchem.com/products/indigo.html

>  <CAS Number> (516)
482-89-3

$$$$
S4775 Cortodoxone.cdx
csChFnd80/07261814112D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.3181    2.8186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1062    2.1177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3181    4.2165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6509    2.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896    2.8186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1201    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6509    4.6391    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0784    4.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4495    3.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729    2.1177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8756    4.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896    0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2174    5.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0347    4.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6729    3.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5873    6.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3861    7.0444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4185    4.9456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  6  0  0  0
  7  9  1  0  0  0  0
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 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
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 12 15  1  0  0  0  0
 13 18  1  0  0  0  0
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 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
  5 25  1  6  0  0  0
  2 26  1  1  0  0  0
  1 27  1  6  0  0  0
  3 28  1  1  0  0  0
M  END
>  <Mol_ID> (517)
3750

>  <Formula> (517)
C21H30O4

>  <MolWeight> (517)
346.4605

>  <Item Name> (517)
Cortodoxone

>  <Catalog Number> (517)
S4775

>  <Synonyms> (517)
11-Deoxycortisol, cortexolone, 11-Desoxycortisol, 17¦Á,21-dihydroxyprogesterone

>  <Target> (517)
Glucocorticoid Receptor

>  <Form> (517)
free base

>  <URL> (517)
http://www.selleckchem.com/products/cortodoxone.html

>  <CAS Number> (517)
152-58-9

$$$$
S3949 N-Sulfo-glucosamine sodium salt.cdx
csChFnd80/07261814112D

 17 15  0  0  0  0  0  0  0  0999 V2000
    3.5110    2.5856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1112    2.5726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1998    3.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2110    1.3732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.7786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4112    1.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3738    6.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6146    1.3732    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0888    4.9974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    3.7786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1643    6.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  8  2  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
 10  7  1  6  0  0  0
  9 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (518)
3787

>  <Formula> (518)
C6H12NNaO8S

>  <MolWeight> (518)
281.21615

>  <Item Name> (518)
N-Sulfo-glucosamine sodium salt

>  <Catalog Number> (518)
S3949

>  <Synonyms> (518)
N-sulfoglucosamine sodium salt, N-Sulfo-D-glucosamine sodium salt

>  <Target> (518)
Others

>  <Form> (518)
sodium salt

>  <URL> (518)
http://www.selleckchem.com/products/n-sulfo-glucosamine-sodium-salt.html

>  <CAS Number> (518)
38899-05-7

$$$$
S3980 Pyridoxine.cdx
csChFnd80/07261814112D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6436    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8380    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0317    2.7911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    4.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6074    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0505    0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
>  <Mol_ID> (519)
3809

>  <Formula> (519)
C8H11NO3

>  <MolWeight> (519)
169.17784

>  <Item Name> (519)
Pyridoxine

>  <Catalog Number> (519)
S3980

>  <Synonyms> (519)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (519)
Others

>  <Form> (519)
free base

>  <URL> (519)
http://www.selleckchem.com/products/pyridoxine.html

>  <CAS Number> (519)
65-23-6

$$$$
CEFTIN (cefuroxime axetil).cdx
csChFnd80/07261814112D

 37 39  0  0  0  0  0  0  0  0999 V2000
    7.3817    3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817    2.3481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7817    2.3481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7817    3.7481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    1.6481    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2066    2.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2066    3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    4.7346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4148    4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6230    3.7481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8313    4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    5.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7859    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2024    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2024    7.9359    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4106    8.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6188    7.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6188    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8271    8.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9817    2.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693    1.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    2.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693    0.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    3.7408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    4.4408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    5.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2298    1.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817    0.9481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7817    0.9481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8313    5.8408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0395    3.7481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9942    8.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9700    2.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6604    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385    0.2466    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  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  1  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 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
 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
  2 21  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
  2 29  1  1  0  0  0
  3 30  1  1  0  0  0
 12 31  2  0  0  0  0
 12 32  1  0  0  0  0
 16 33  1  0  0  0  0
 28 34  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
 37 28  2  0  0  0  0
M  END
>  <Mol_ID> (520)
3810

>  <Formula> (520)
C20H22N4O10S

>  <MolWeight> (520)
510.47448

>  <Item Name> (520)
Cefuroxime axetil

>  <Catalog Number> (520)
S4813

>  <Synonyms> (520)
N/A

>  <Target> (520)
Antifection

>  <Form> (520)
free base

>  <URL> (520)
http://www.selleckchem.com/products/cefuroxime-axetil.html

>  <CAS Number> (520)
64544-07-6

$$$$
S4821 Glycine.cdx
csChFnd80/07261814112D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4255    0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    2.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (521)
3811

>  <Formula> (521)
C2H5NO2

>  <MolWeight> (521)
75.0666

>  <Item Name> (521)
Glycine

>  <Catalog Number> (521)
S4821

>  <Synonyms> (521)
 2-Aminoacetic acid, Aminoacetic acid, Glycocoll

>  <Target> (521)
Others

>  <Form> (521)
free base

>  <URL> (521)
http://www.selleckchem.com/products/glycine.html

>  <CAS Number> (521)
56-40-6

$$$$
S4826 Aluminium hydroxide.cdx
csChFnd80/07261814112D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.4000    1.2124    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    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
M  END
>  <Mol_ID> (522)
3812

>  <Formula> (522)
AlH3O3

>  <MolWeight> (522)
78.003558

>  <Item Name> (522)
Aluminium hydroxide

>  <Catalog Number> (522)
S4826

>  <Synonyms> (522)
Aluminic hydroxide, Aluminum trihydroxide, Aluminium(III) hydroxide

>  <Target> (522)
Others

>  <Form> (522)
free base

>  <URL> (522)
http://www.selleckchem.com/products/aluminium-hydroxide.html

>  <CAS Number> (522)
21645-51-2

$$$$
S3992 D-(+)-Trehalose dihydrate.cdx
csChFnd80/07261814112D

 25 24  0  0  0  0  0  0  0  0999 V2000
    8.1650    4.8521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8836    4.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3837    4.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1650    6.2929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6648    3.5308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5740    4.8976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3837    6.9820    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9520    7.0219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4462    4.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6648    2.1243    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5740    6.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8153    4.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3837    8.3717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2388    3.5308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4462    1.3897    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8836    1.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8153    6.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8746    5.0856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2388    2.1243    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0145    4.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4462    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0145    1.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9722    3.2861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   12.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  6  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  6  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  1  0  0  0
  7 13  1  1  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  6  0  0  0
 11 17  1  6  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  1  0  0  0
 15 21  1  1  0  0  0
 15 19  1  0  0  0  0
 19 22  1  6  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (523)
3828

>  <Formula> (523)
C12H26O13

>  <MolWeight> (523)
378.32704

>  <Item Name> (523)
D-(+)-Trehalose dihydrate

>  <Catalog Number> (523)
S3992

>  <Synonyms> (523)
N/A

>  <Target> (523)
Others

>  <Form> (523)
dihydrate

>  <URL> (523)
http://www.selleckchem.com/products/d-trehalose-dihyd.html

>  <CAS Number> (523)
6138-23-4

$$$$
S3998 Lipoic acid.cdx
csChFnd80/07261814112D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.5710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    1.5306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.0999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0694    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2777    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0653    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2777    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4902    2.0999    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
  1  5  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
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  3 10  1  1  0  0  0
M  END
>  <Mol_ID> (524)
3834

>  <Formula> (524)
C8H14O2S2

>  <MolWeight> (524)
206.32556

>  <Item Name> (524)
(+)-¦Á-Lipoic acid

>  <Catalog Number> (524)
S3998

>  <Synonyms> (524)
(R)-(+)-¦Á-Lipoic acid, ¦Á-Lipoic acid, Alpha-Lipoic acid

>  <Target> (524)
Others

>  <Form> (524)
free base

>  <URL> (524)
http://www.selleckchem.com/products/alpha-lipoic-acid.html

>  <CAS Number> (524)
1200-22-2

$$$$
S4817 Atenolol.cdx
csChFnd80/07261814112D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.7024    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
    2.4249    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.8073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9204    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.8073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  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
 16 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (525)
3837

>  <Formula> (525)
C14H22N2O3

>  <MolWeight> (525)
266.33608

>  <Item Name> (525)
Atenolol

>  <Catalog Number> (525)
S4817

>  <Synonyms> (525)
Tenormin, Normiten, Blokium

>  <Target> (525)
¦Â1 receptor,¦Â2 receptor

>  <Form> (525)
free base

>  <URL> (525)
http://www.selleckchem.com/products/atenolol.html

>  <CAS Number> (525)
29122-68-7

$$$$
S4854 Bedaquiline fumarate.cdx
csChFnd80/07261814112D

 45 48  0  0  0  0  0  0  0  0999 V2000
    7.6344    8.5760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6344   10.3937    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0327   10.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7318   11.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8453    7.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0697    8.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2815    7.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2815    6.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0620    5.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8451    6.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2362   10.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5434    9.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1294    9.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (526)
3839

>  <Formula> (526)
C36H35BrN2O6

>  <MolWeight> (526)
671.5769

>  <Item Name> (526)
Bedaquiline fumarate

>  <Catalog Number> (526)
S4854

>  <Synonyms> (526)
TMC-207

>  <Target> (526)
Antifection

>  <Form> (526)
fumarate

>  <URL> (526)
http://www.selleckchem.com/products/bedaquiline-fumarate.html

>  <CAS Number> (526)
845533-86-0

$$$$
S4927 Cyclen.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (527)
3840

>  <Formula> (527)
C8H20N4

>  <MolWeight> (527)
172.2712

>  <Item Name> (527)
Cyclen

>  <Catalog Number> (527)
S4927

>  <Synonyms> (527)
1,4,7,10-tetraazacyclododecane

>  <Target> (527)
Others

>  <Form> (527)
free base

>  <URL> (527)
http://www.selleckchem.com/products/cyclen.html

>  <CAS Number> (527)
294-90-6

$$$$
S4928 Brivaracetam.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (528)
3841

>  <Formula> (528)
C11H20N2O2

>  <MolWeight> (528)
212.2887

>  <Item Name> (528)
Brivaracetam

>  <Catalog Number> (528)
S4928

>  <Synonyms> (528)
UCB34714

>  <Target> (528)
Others

>  <Form> (528)
free base

>  <URL> (528)
http://www.selleckchem.com/products/brivaracetam.html

>  <CAS Number> (528)
357336-20-0

$$$$
S4930 Cetilistat.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (529)
3842

>  <Formula> (529)
C25H39NO3

>  <MolWeight> (529)
401.58206

>  <Item Name> (529)
Cetilistat

>  <Catalog Number> (529)
S4930

>  <Synonyms> (529)
ATL962

>  <Target> (529)
pancreatic lipase

>  <Form> (529)
free base

>  <URL> (529)
http://www.selleckchem.com/products/cetilistat.html

>  <CAS Number> (529)
282526-98-1

$$$$
S5007 Delamanid.cdx
csChFnd80/07261814112D

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 24 38  1  1  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (530)
3844

>  <Formula> (530)
C25H25F3N4O6

>  <MolWeight> (530)
534.4844096

>  <Item Name> (530)
Delamanid

>  <Catalog Number> (530)
S5007

>  <Synonyms> (530)
OPC-67683

>  <Target> (530)
Others

>  <Form> (530)
free base

>  <URL> (530)
http://www.selleckchem.com/products/delamanid.html

>  <CAS Number> (530)
681492-22-8

$$$$
S5015 Simeprevir.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (531)
3845

>  <Formula> (531)
C38H47N5O7S2

>  <MolWeight> (531)
749.93908

>  <Item Name> (531)
TMC-435, TMC-435350

>  <Catalog Number> (531)
S5015

>  <Synonyms> (531)
TMC-435, TMC-435350

>  <Target> (531)
HCV NS3/4A protease

>  <Form> (531)
free base

>  <URL> (531)
http://www.selleckchem.com/products/simeprevir.html

>  <CAS Number> (531)
923604-59-5

$$$$
S3074 Chlortalidone.cdx
csChFnd80/07261814112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (532)
3857

>  <Formula> (532)
C14H11ClN2O4S

>  <MolWeight> (532)
338.76614

>  <Item Name> (532)
Chlorthalidone

>  <Catalog Number> (532)
S3074

>  <Synonyms> (532)
Chlortalidone

>  <Target> (532)
Others

>  <Form> (532)
free base

>  <URL> (532)
http://selleckchem.com/products/chlorthalidone-chlortalidone.html

>  <CAS Number> (532)
77-36-1

$$$$
S5023 Nadolol.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (533)
3865

>  <Formula> (533)
C17H27NO4

>  <MolWeight> (533)
309.40058

>  <Item Name> (533)
Nadolol

>  <Catalog Number> (533)
S5023

>  <Synonyms> (533)
Corgard, Solgol, Anabet

>  <Target> (533)
Androgen Receptor

>  <Form> (533)
free base

>  <URL> (533)
http://selleckchem.com/products/nadolol.html

>  <CAS Number> (533)
42200-33-9

$$$$
S5025 Efinaconazole.cdx
csChFnd80/07261814112D

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 18 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  6  0  0  0
M  END
>  <Mol_ID> (534)
3866

>  <Formula> (534)
C18H22F2N4O

>  <MolWeight> (534)
348.3902864

>  <Item Name> (534)
Efinaconazole

>  <Catalog Number> (534)
S5025

>  <Synonyms> (534)
KP-103

>  <Target> (534)
Anti-infection

>  <Form> (534)
free base

>  <URL> (534)
http://selleckchem.com/products/efinaconazole.html

>  <CAS Number> (534)
164650-44-6

$$$$
S5070 Mupirocin calcium.cdx
csChFnd80/07261814112D

 77 78  0  0  0  0  0  0  0  0999 V2000
   10.6352   18.8763    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2313   19.0881    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1219   20.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6352   17.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7778   17.7738    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8567   16.7713    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4030   17.5093    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6942   16.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8598   15.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4865   18.5677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2613   16.7910    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0957   18.8767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0786   14.6717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (535)
3875

>  <Formula> (535)
C52H90CaO20

>  <MolWeight> (535)
1075.337

>  <Item Name> (535)
Mupirocin calcium

>  <Catalog Number> (535)
S5070

>  <Synonyms> (535)
pseudomonic acid A

>  <Target> (535)
Anti-infection

>  <Form> (535)
calcium salt dihydrate

>  <URL> (535)
http://selleckchem.com/products/mupirocin-calcium.html

>  <CAS Number> (535)
115074-43-6

$$$$
S5206 Benzylpenicillin potassiuM.cdx
csChFnd80/07261814112D

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.7096    2.7775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7096    4.1774    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0172    2.3289    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3648    2.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0489    4.5954    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4260    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  6  7  1  0  0  0  0
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M  END
>  <Mol_ID> (536)
3889

>  <Formula> (536)
C16H17KN2O4S

>  <MolWeight> (536)
372.48048

>  <Item Name> (536)
Benzylpenicillin potassium

>  <Catalog Number> (536)
S5206

>  <Synonyms> (536)
Penicillin G potassium

>  <Target> (536)
Anti-infection

>  <Form> (536)
potassium salt

>  <URL> (536)
http://selleckchem.com/products/benzylpenicillin-potassium.html

>  <CAS Number> (536)
113-98-4

$$$$
S5209 Enoxacin Sesquihydrate.cdx
csChFnd80/07261814112D

 24 25  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
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  3  7  1  0  0  0  0
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 10 14  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
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A   23
?1.5H2O?
M  END
>  <Mol_ID> (537)
3891

>  <Formula> (537)
C15H17FN4O3R

>  <MolWeight> (537)
320.3188832

>  <Item Name> (537)
Enoxacin Sesquihydrate

>  <Catalog Number> (537)
S5209

>  <Synonyms> (537)
Enoxacin hydrate

>  <Target> (537)
Anti-infection

>  <Form> (537)
sesquihydrate

>  <URL> (537)
http://selleckchem.com/products/enoxacin-sesquihydrate.html

>  <CAS Number> (537)
84294-96-2

$$$$
S4877 Eperisone hydrochloride.cdx
csChFnd80/07261814112D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.8592    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0655    2.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6472    2.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8592    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2946    2.1366    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0655    4.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4353    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6472    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2946    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4353    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2235    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7126    0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9247    2.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9247    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480    2.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480    0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  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
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 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (538)
3901

>  <Formula> (538)
C17H26ClNO

>  <MolWeight> (538)
295.84744

>  <Item Name> (538)
Eperisone hydrochloride

>  <Catalog Number> (538)
S4877

>  <Synonyms> (538)
N/A

>  <Target> (538)
Others

>  <Form> (538)
hydrochloride 

>  <URL> (538)
http://selleckchem.com/products/eperisone-hydrochloride.html

>  <CAS Number> (538)
56839-43-1

$$$$
S4991 Valpromide.cdx
csChFnd80/07261814112D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.7912    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7004    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7004    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    1.2122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    3.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (539)
3904

>  <Formula> (539)
C8H17NO

>  <MolWeight> (539)
143.22668

>  <Item Name> (539)
Valpromide

>  <Catalog Number> (539)
S4991

>  <Synonyms> (539)
Depamide, Dipropylacetamide, 2-propylpentanamide

>  <Target> (539)
Others

>  <Form> (539)
free base

>  <URL> (539)
http://selleckchem.com/products/valpromide.html

>  <CAS Number> (539)
2430-27-5

$$$$
S5052 Granisetron.cdx
csChFnd80/07261814112D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.0219    3.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592    5.0199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8715    4.7473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2367    2.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8020    3.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4468    3.3703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2415    1.2662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    1.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    3.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    1.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8360    0.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1580    3.3525    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7693    3.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  7  4  2  0  0  0  0
 10  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  2  0  0  0  0
 11  7  1  0  0  0  0
 12 10  2  0  0  0  0
 13 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 14  1  0  0  0  0
 20 22  1  1  0  0  0
 16 22  1  1  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (540)
3909

>  <Formula> (540)
C18H24N4O

>  <MolWeight> (540)
312.40936

>  <Item Name> (540)
Granisetron

>  <Catalog Number> (540)
S5052

>  <Synonyms> (540)
Sancuso, Kevatril, Granisetronum, Sustol

>  <Target> (540)
5-HT Receptor

>  <URL> (540)
http://selleckchem.com/products/granisetron.html

>  <CAS Number> (540)
109889-09-0

$$$$
S5075 Acotiamide.cdx
csChFnd80/07261814112D

 31 32  0  0  0  0  0  0  0  0999 V2000
   10.1260    3.2826    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2690    4.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0556    4.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7573    2.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6670    4.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0958    5.6326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8434    3.2174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4850    5.3690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6938    4.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9098    5.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1192    4.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3328    5.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3328    6.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1152    7.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9181    6.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  4  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 10 17  2  0  0  0  0
 18 19  1  0  0  0  0
 15 18  1  0  0  0  0
 20 21  1  0  0  0  0
 14 20  1  0  0  0  0
 12 22  1  0  0  0  0
  9 10  1  0  0  0  0
  2  9  1  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 25 26  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 25 29  1  0  0  0  0
 24 25  1  0  0  0  0
  8 23  1  0  0  0  0
M  END
>  <Mol_ID> (541)
3914

>  <Formula> (541)
C21H30N4O5S

>  <MolWeight> (541)
450.5517

>  <Item Name> (541)
Acotiamide

>  <Catalog Number> (541)
S5075

>  <Synonyms> (541)
Acofide

>  <Target> (541)
AChR

>  <Form> (541)
free base

>  <URL> (541)
http://selleckchem.com/products/acotiamide.html

>  <CAS Number> (541)
185106-16-5

$$$$
S5079 Sitagliptin.cdx
csChFnd80/07261814112D

 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
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    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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   14.3819    0.0000    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
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 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
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 26 15  1  0  0  0  0
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 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> (542)
3916

>  <Formula> (542)
C16H15F6N5O

>  <MolWeight> (542)
407.3136192

>  <Item Name> (542)
Sitagliptin

>  <Catalog Number> (542)
S5079

>  <Synonyms> (542)
MK-0431

>  <Target> (542)
DPP-4

>  <Form> (542)
free base

>  <URL> (542)
http://selleckchem.com/products/sitagliptin.html

>  <CAS Number> (542)
486460-32-6

$$$$
S4836 Nilutamide.cdx
csChFnd80/07261814112D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.6535    2.5478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0535    2.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7640    1.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7777    3.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7558    3.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3916    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1544    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3646    3.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860    5.0816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1760    3.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (543)
3935

>  <Formula> (543)
C12H10F3N3O4

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317.2207096

>  <Item Name> (543)
Nilutamide

>  <Catalog Number> (543)
S4836

>  <Synonyms> (543)
RU23908

>  <Target> (543)
Androgen Receptor

>  <URL> (543)
http://selleckchem.com/products/nilutamide.html

>  <CAS Number> (543)
63612-50-0

$$$$
S4837 Ibudilast.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (544)
3936

>  <Formula> (544)
C14H18N2O

>  <MolWeight> (544)
230.30552

>  <Item Name> (544)
Ibudilast

>  <Catalog Number> (544)
S4837

>  <Synonyms> (544)
KC-404, AV411, MN166

>  <Target> (544)
PDE

>  <Form> (544)
free base

>  <URL> (544)
http://selleckchem.com/products/Ibudilast.html

>  <CAS Number> (544)
50847-11-5

$$$$
S4848 Dalbavancin.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (545)
3937

>  <Formula> (545)
C88H100Cl2N10O28

>  <MolWeight> (545)
1816.6918

>  <Item Name> (545)
Dalbavancin

>  <Catalog Number> (545)
S4848

>  <Synonyms> (545)
zeven

>  <Target> (545)
Anti-infection

>  <Form> (545)
free base

>  <URL> (545)
http://selleckchem.com/products/dalbavancin.html

>  <CAS Number> (545)
171500-79-1

$$$$
S4851 Tafluprost.cdx
csChFnd80/07261814112D

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>  <Mol_ID> (546)
3938

>  <Formula> (546)
C25H34F2O5

>  <MolWeight> (546)
452.5312664

>  <Item Name> (546)
Tafluprost

>  <Catalog Number> (546)
S4851

>  <Synonyms> (546)
AFP-168

>  <Target> (546)
Others

>  <URL> (546)
http://selleckchem.com/products/tafluprost.html

>  <CAS Number> (546)
209860-87-7

$$$$
S4852 Gadopentetate Dimeglumine.cdx
csChFnd80/07261814112D

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M  END
>  <Mol_ID> (547)
3939

>  <Formula> (547)
C28H54GdN5O20

>  <MolWeight> (547)
937.99986

>  <Item Name> (547)
Gadopentetate Dimeglumine

>  <Catalog Number> (547)
S4852

>  <Synonyms> (547)
Gadopentetic acid dimeglumine, Gd-DTPA, Meglumine gadopentetate

>  <Target> (547)
Others

>  <Form> (547)
dimeglumine salt

>  <URL> (547)
http://selleckchem.com/products/gadopentetate-dimeglumine.html

>  <CAS Number> (547)
86050-77-3

$$$$
S4931 Propiverine hydrochloride.cdx
csChFnd80/07261814112D

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  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (548)
3941

>  <Formula> (548)
C23H30ClNO3

>  <MolWeight> (548)
403.9422

>  <Item Name> (548)
Propiverine hydrochloride

>  <Catalog Number> (548)
S4931

>  <Synonyms> (548)
N/A

>  <Target> (548)
Others

>  <URL> (548)
http://selleckchem.com/products/propiverine-hydrochloride.html

>  <CAS Number> (548)
54556-98-8

$$$$
S5006 Teprenone.cdx
csChFnd80/07261814112D

 24 23  0  0  0  0  0  0  0  0999 V2000
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    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
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    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
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    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  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
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (549)
3943

>  <Formula> (549)
C23H38O

>  <MolWeight> (549)
330.54722

>  <Item Name> (549)
Teprenone

>  <Catalog Number> (549)
S5006

>  <Synonyms> (549)
geranylgeranylacetone, Tetraprenylacetone

>  <Target> (549)
Others

>  <URL> (549)
http://selleckchem.com/products/teprenone.html

>  <CAS Number> (549)
6809-52-5

$$$$
S5012 Octenidine Dihydrochloride.cdx
csChFnd80/07261814112D

 42 41  0  0  0  0  0  0  0  0999 V2000
   12.6204    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6204    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4079    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8328    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4079    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1955    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0452    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1955    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2577    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9830    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4701    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7706    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6825    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7706    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8950    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5582    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1074    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   27.1696    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9571    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3820    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1696    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3820    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   30.8069    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0193    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   33.2318    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2318    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4442    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4442    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   25.4342    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
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 10 12  1  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
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 16 18  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  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
 25 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (550)
3944

>  <Formula> (550)
C36H64Cl2N4

>  <MolWeight> (550)
623.82616

>  <Item Name> (550)
Octenidine Dihydrochloride

>  <Catalog Number> (550)
S5012

>  <Synonyms> (550)
N/A

>  <Target> (550)
Anti-infection

>  <URL> (550)
http://selleckchem.com/products/octenidine-ihydrochloride.html

>  <CAS Number> (550)
70775-75-6

$$$$
S5013 Ioversol.cdx
csChFnd80/07261814112D

 33 33  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    4.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750    2.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0699    4.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    4.8246    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.2572    2.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750    0.6939    0.0000 I   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    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2552    4.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4697    2.0860    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 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8963    2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1084    2.7862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9233    6.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7106    8.3361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3210    2.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1084    4.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1356    6.9362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5335    2.7862    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  2  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  1  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
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  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 14  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
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 16 22  1  0  0  0  0
 16 23  2  0  0  0  0
 20 24  1  0  0  0  0
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 28 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (551)
3945

>  <Formula> (551)
C18H24I3N3O9

>  <MolWeight> (551)
807.11127

>  <Item Name> (551)
Ioversol

>  <Catalog Number> (551)
S5013

>  <Synonyms> (551)
N/A

>  <Target> (551)
Others

>  <URL> (551)
http://selleckchem.com/products/lversol.html

>  <CAS Number> (551)
87771-40-2

$$$$
S5014 Crisaborole (AN2728).cdx
csChFnd80/07261814112D

 19 21  0  0  0  0  0  0  0  0999 V2000
   11.0310    1.3314    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0310    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4637    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6375    3.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  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
  5  9  2  0  0  0  0
  4  6  2  0  0  0  0
  1 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 12 17  2  0  0  0  0
 11 12  1  0  0  0  0
 18 19  3  0  0  0  0
 15 18  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (552)
3946

>  <Formula> (552)
C14H10BNO3

>  <MolWeight> (552)
251.0451

>  <Item Name> (552)
Crisaborole (AN2728)

>  <Catalog Number> (552)
S5014

>  <Synonyms> (552)
N/A

>  <Target> (552)
PDE

>  <Form> (552)
free base

>  <URL> (552)
http://selleckchem.com/products/crisaborole-an2728.html

>  <CAS Number> (552)
906673-24-3

$$$$
DIPRIVAN (propofol).cdx
csChFnd80/07261814112D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    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
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (553)
3950

>  <Formula> (553)
C12H18O

>  <MolWeight> (553)
178.27072

>  <Item Name> (553)
Propofol

>  <Catalog Number> (553)
S2023

>  <Synonyms> (553)
N/A

>  <Target> (553)
GABA Receptor

>  <URL> (553)
http://selleckchem.com/products/propofol-diprivan.html

>  <CAS Number> (553)
2078-54-8

$$$$
S4849 Levocetirizine Dihydrochloride.cdx
csChFnd80/07261814112D

 29 29  0  0  0  0  0  0  0  0999 V2000
   22.1836    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9712    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1836    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3960    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7587    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5463    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3339    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1214    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1214    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9090    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6966    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6966    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9090    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4841    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4841    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6966    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6966    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4841    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0593    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0593    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6344    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   28.1035    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   28.1035    0.0000 Cl  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
  6  7  1  0  0  0  0
  5  6  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
  8 13  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
 14 15  1  6  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
 24 27  1  0  0  0  0
 14 21  1  0  0  0  0
 14 11  1  0  0  0  0
  7  8  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (554)
3951

>  <Formula> (554)
C21H27Cl3N2O3

>  <MolWeight> (554)
461.80968

>  <Item Name> (554)
Levocetirizine Dihydrochloride

>  <Catalog Number> (554)
S4849

>  <Synonyms> (554)
Xyzal Dihydrochloride, (-)-Cetirizine Dihydrochloride

>  <Target> (554)
Histamine Receptor

>  <Form> (554)
dihydrochloride 

>  <URL> (554)
http://selleckchem.com/products/levocetirizine-dihydrochloride.html

>  <CAS Number> (554)
130018-87-0

$$$$
S2501 Pyrantel pamoate.cdx
csChFnd80/07261814112D

 43 47  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    5.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4927    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
    0.0000    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    9.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.7176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580   10.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8649    5.6348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8711    4.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6629    3.5314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440    4.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4401    5.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6506    6.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6629    2.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0793    3.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2896    4.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4968    3.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7761    4.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7129    3.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0129    1.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6435    2.1512    0.0000 S   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
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 14  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  8 25  1  0  0  0  0
 17 26  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 30 31  2  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 30  1  0  0  0  0
 32 36  1  0  0  0  0
 31 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 39  1  0  0  0  0
M  END
>  <Mol_ID> (555)
3977

>  <Formula> (555)
C34H30N2O6S

>  <MolWeight> (555)
594.6768

>  <Item Name> (555)
Pyrantel Pamoate 

>  <Catalog Number> (555)
S2501

>  <Synonyms> (555)
Pyrantel Embonate

>  <Target> (555)
Anti-infection

>  <Form> (555)
salt

>  <URL> (555)
http://selleckchem.com/products/Pyrantel-pamoate(Pyrantel-embonate).html

>  <CAS Number> (555)
22204-24-6

$$$$
S4819 Saccharin.cdx
csChFnd80/07261814112D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4266    1.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    3.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7471    1.2832    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7457    3.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    3.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5721    2.3956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9538    0.5734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1898    4.8691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0014    3.1348    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
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5  7  1  0  0  0  0
  6 12  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (556)
3982

>  <Formula> (556)
C7H5NO3S

>  <MolWeight> (556)
183.1845

>  <Item Name> (556)
Saccharin

>  <Catalog Number> (556)
S4819

>  <Synonyms> (556)
Benzoic sulfimide, O-Sulfobenzimide, O-Benzoic sulfimide, Saccharimide

>  <Target> (556)
Others

>  <Form> (556)
free base

>  <URL> (556)
http://selleckchem.com/products/saccharin.html

>  <CAS Number> (556)
81-07-2

$$$$
S4830 Maltose.cdx
csChFnd80/07261814112D

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.4892    4.2666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4892    5.6663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6958    3.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4608    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6903    6.3597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6696    2.0610    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2204    2.1836    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    4.1608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8970    5.6630    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6903    7.7663    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3888    1.3929    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8820    1.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0080    1.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    6.3646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8970    4.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4749    8.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8998    8.4646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3233    5.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    7.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2611    7.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3233    4.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3380    6.7220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3092    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  6  0  0  0
  7 13  1  6  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  1  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  1  0  0  0
 16 21  1  0  0  0  0
 19 22  2  0  0  0  0
  5 23  1  1  0  0  0
 11 24  1  1  0  0  0
M  END
>  <Mol_ID> (557)
3989

>  <Formula> (557)
C12H22O11

>  <MolWeight> (557)
342.29648

>  <Item Name> (557)
Maltose

>  <Catalog Number> (557)
S4830

>  <Synonyms> (557)
maltobiose, malt sugar, Beta-maltose, D-Maltose

>  <Target> (557)
Others

>  <Form> (557)
free base

>  <URL> (557)
http://selleckchem.com/products/maltose.html

>  <CAS Number> (557)
 69-79-4

$$$$
S4831 Piperonyl butoxide.cdx
csChFnd80/07261814112D

 24 25  0  0  0  0  0  0  0  0999 V2000
   16.9679    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9679    0.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7533    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2878    2.5422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
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M  END
>  <Mol_ID> (558)
3990

>  <Formula> (558)
C19H30O5

>  <MolWeight> (558)
338.4385

>  <Item Name> (558)
Piperonyl butoxide

>  <Catalog Number> (558)
S4831

>  <Synonyms> (558)
Butacide, Ethanol butoxide, Pyrenone 606

>  <Target> (558)
Others

>  <URL> (558)
http://selleckchem.com/products/piperonyl-butoxide.html

>  <CAS Number> (558)
51-03-6

$$$$
S4835 Aceclofenac.cdx
csChFnd80/07261814112D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
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  5  9  1  0  0  0  0
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  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
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  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
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 15 20  1  0  0  0  0
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M  END
>  <Mol_ID> (559)
3992

>  <Formula> (559)
C16H13Cl2NO4

>  <MolWeight> (559)
354.18472

>  <Item Name> (559)
Aceclofenac

>  <Catalog Number> (559)
S4835

>  <Synonyms> (559)
Preservex, Airtal

>  <Target> (559)
Immunology & Inflammation related

>  <Form> (559)
free base

>  <URL> (559)
http://selleckchem.com/products/aceclofenac.html

>  <CAS Number> (559)
89796-99-6

$$$$
S4839 Mosapride.cdx
csChFnd80/07261814112D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    3.6390    3.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2144    2.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4041    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (560)
3993

>  <Formula> (560)
C21H25ClFN3O3

>  <MolWeight> (560)
421.8929032

>  <Item Name> (560)
Mosapride

>  <Catalog Number> (560)
S4839

>  <Synonyms> (560)
N/A

>  <Target> (560)
5-HT Receptor

>  <URL> (560)
http://selleckchem.com/products/mosapride.html

>  <CAS Number> (560)
112885-41-3

$$$$
S4975 Fimasartan.cdx
csChFnd80/07261814112D

 36 39  0  0  0  0  0  0  0  0999 V2000
    9.7115    3.5002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (561)
4028

>  <Formula> (561)
C27H31N7OS

>  <MolWeight> (561)
501.64634

>  <Item Name> (561)
Fimasartan

>  <Catalog Number> (561)
S4975

>  <Synonyms> (561)
Kanarb

>  <Target> (561)
RAAS

>  <Form> (561)
free base

>  <URL> (561)
http://selleckchem.com/products/fimasartan.html

>  <CAS Number> (561)
247257-48-3

$$$$
QUTENZA (capsaicin).cdx
csChFnd80/07261814112D

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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 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  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 12 22  2  0  0  0  0
M  END
>  <Mol_ID> (562)
4043

>  <Formula> (562)
C18H27NO3

>  <MolWeight> (562)
305.41188

>  <Item Name> (562)
Capsaicin

>  <Catalog Number> (562)
S1990

>  <Synonyms> (562)
Qutenza, Vanilloid

>  <Target> (562)
Others

>  <URL> (562)
http://www.selleckchem.com/products/Capsaicin(Qutenza).html

>  <CAS Number> (562)
404-86-4

$$$$
