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0O5

0O5
Name:	4-(3-methylisoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Formula:	C23 H25 N3 O2
SMILES:	O=C(NCCN1CCOCC1)c4ccc(c3nc(cc2c3cccc2)C)cc4
InChi:	InChI=1S/C23H25N3O2/c1-17-16-20-4-2-3-5-21(20)22(25-17)18-6-8-19(9-7-18)23(27)24-10-11-26-12-14-28-15-13-26/h2-9,16H,10-15H2,1H3,(H,24,27)
Definition date:	2012-03-29
Last modified:	2012-05-11
Identifier:	4-(3-methylisoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide

0QK

0QK
Name:	7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:	C28 H41 N7 O4
SMILES:	O=C(Nc1ccc(cc1)C(C)(C)C)NCCCN(C(C)C)CC4OC(n3ccc2c(ncnc23)N)C(O)C4O
InChi:	InChI=1S/C28H41N7O4/c1-17(2)34(13-6-12-30-27(38)33-19-9-7-18(8-10-19)28(3,4)5)15-21-22(36)23(37)26(39-21)35-14-11-20-24(29)31-16-32-25(20)35/h7-11,14,16-17,21-23,26,36-37H,6,12-13,15H2,1-5H3,(H2,29,31,32)(H2,30,33,38)/t21-,22-,23-,26-/m1/s1
Definition date:	2012-04-12
Last modified:	2012-05-11
Identifier:	7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2P8

2P8
Name:	(2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
Formula:	C19 H27 N3 O4
SMILES:	O=C(N1C(C(O)CO)CCC1)C3N(C(=O)NCc2ccccc2)CCC3
InChi:	InChI=1S/C19H27N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-17,23-24H,4-5,8-13H2,(H,20,26)/t15-,16-,17-/m0/s1
Definition date:	2012-03-15
Last modified:	2012-05-11
Identifier:	(2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide

7PQ

7PQ
Name:	4-[2-(aminomethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide
Formula:	C24 H27 N3 O2
SMILES:	O=C(NCCN1CCOCC1)c4ccc(c3c2ccccc2ccc3CN)cc4
InChi:	InChI=1S/C24H27N3O2/c25-17-21-10-5-18-3-1-2-4-22(18)23(21)19-6-8-20(9-7-19)24(28)26-11-12-27-13-15-29-16-14-27/h1-10H,11-17,25H2,(H,26,28)
Definition date:	2012-03-29
Last modified:	2012-05-11
Identifier:	4-[2-(aminomethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide

S2H

S2H
Name:	Hydrogen disulfide
Formula:	H2 S2
SMILES:	SS
InChi:	InChI=1S/H2S2/c1-2/h1-2H
Definition date:	2011-08-05
Last modified:	2012-05-11

6SE

6SE
Name:	triselane
Formula:	H2 Se3
SMILES:	[SeH][Se][SeH]
InChi:	InChI=1S/H2Se3/c1-3-2/h1-2H
Definition date:	2011-08-05
Last modified:	2012-05-11
Identifier:	triselane

DC4

DC4
Name:	2-CHLORODIBENZOFURAN
Formula:	C12 H7 Cl O
SMILES:	Clc2cc1c3ccccc3oc1cc2
InChi:	InChI=1S/C12H7ClO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
Definition date:	2011-04-06
Last modified:	2012-05-11
Identifier:	2-chlorodibenzo[b,d]furan

2P2

2P2
Name:	1-[(2R,5S)-2-tert-butyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
Formula:	C25 H38 N2 O4
SMILES:	O=C(N2C(C(=O)N1C(C(O)CO)CCC1)CCC2C(C)(C)C)CCCc3ccccc3
InChi:	InChI=1S/C25H38N2O4/c1-25(2,3)22-15-14-20(24(31)26-16-8-12-19(26)21(29)17-28)27(22)23(30)13-7-11-18-9-5-4-6-10-18/h4-6,9-10,19-22,28-29H,7-8,11-17H2,1-3H3/t19-,20-,21-,22+/m0/s1
Definition date:	2012-03-15
Last modified:	2012-05-11
Identifier:	(1R)-1-{(2S)-1-[(5R)-5-tert-butyl-1-(4-phenylbutanoyl)-L-prolyl]pyrrolidin-2-yl}ethane-1,2-diol

2P4

2P4
Name:	(5R)-N-benzyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide
Formula:	C20 H26 N2 O4
SMILES:	O=C(N1C(C(O)CO)CCC1)C3C(C(=O)NCc2ccccc2)=CCC3
InChi:	InChI=1S/C20H26N2O4/c23-13-18(24)17-10-5-11-22(17)20(26)16-9-4-8-15(16)19(25)21-12-14-6-2-1-3-7-14/h1-3,6-8,16-18,23-24H,4-5,9-13H2,(H,21,25)/t16-,17+,18+/m1/s1
Definition date:	2012-03-15
Last modified:	2012-05-11
Identifier:	(5R)-N-benzyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide

2P6

2P6
Name:	(2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile
Formula:	C20 H25 N3 O2
SMILES:	O=C(N1C(C#N)CCC1)C3N(C(=O)CCCc2ccccc2)CCC3
InChi:	InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
Definition date:	2012-03-15
Last modified:	2012-05-11
Identifier:	(2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile

I63

I63
Name:	{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
Formula:	C32 H41 N O9
SMILES:	O=C(C(=O)C(C)(C)CC)N3C(C(=O)OC(c1cccc(OCC(=O)O)c1)CCc2ccc(OC)c(OC)c2)CCCC3
InChi:	InChI=1S/C32H41NO9/c1-6-32(2,3)29(36)30(37)33-17-8-7-12-24(33)31(38)42-25(22-10-9-11-23(19-22)41-20-28(34)35)15-13-21-14-16-26(39-4)27(18-21)40-5/h9-11,14,16,18-19,24-25H,6-8,12-13,15,17,20H2,1-5H3,(H,34,35)/t24-,25+/m0/s1
Definition date:	2012-02-28
Last modified:	2012-05-11
Identifier:	{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid

VAE

VAE
Name:	3-{[(E)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid
Formula:	C16 H12 O6
SMILES:	O=C(O)c2cccc(O/C(C(=O)O)=C/c1ccccc1)c2O
InChi:	InChI=1S/C16H12O6/c17-14-11(15(18)19)7-4-8-12(14)22-13(16(20)21)9-10-5-2-1-3-6-10/h1-9,17H,(H,18,19)(H,20,21)/b13-9+
Definition date:	2011-05-23
Last modified:	2012-05-10
Identifier:	3-{[(E)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid

VCE

VCE
Name:	3-{[(E)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid
Formula:	C13 H12 O6
SMILES:	O=C(O)c2c(O)c(OC(=CC1CC1)C(=O)O)ccc2
InChi:	InChI=1S/C13H12O6/c14-11-8(12(15)16)2-1-3-9(11)19-10(13(17)18)6-7-4-5-7/h1-3,6-7,14H,4-5H2,(H,15,16)(H,17,18)/b10-6+
Definition date:	2011-05-23
Last modified:	2012-05-10
Identifier:	3-{[(E)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid

RVA

RVA
Name:	3-{[(Z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid
Formula:	C16 H12 O6
SMILES:	O=C(O)c2cccc(O/C(C(=O)O)=Cc1ccccc1)c2O
InChi:	InChI=1S/C16H12O6/c17-14-11(15(18)19)7-4-8-12(14)22-13(16(20)21)9-10-5-2-1-3-6-10/h1-9,17H,(H,18,19)(H,20,21)/b13-9-
Definition date:	2011-05-12
Last modified:	2012-05-10
Identifier:	3-{[(Z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid

RVC

RVC
Name:	3-{[(Z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid
Formula:	C13 H12 O6
SMILES:	O=C(O)c2c(O)c(OC(=C/C1CC1)C(=O)O)ccc2
InChi:	InChI=1S/C13H12O6/c14-11-8(12(15)16)2-1-3-9(11)19-10(13(17)18)6-7-4-5-7/h1-3,6-7,14H,4-5H2,(H,15,16)(H,17,18)/b10-6-
Definition date:	2011-05-12
Last modified:	2012-05-10
Identifier:	3-{[(Z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid

THL

THL
Name:	N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID
Formula:	C19 H23 N7 O6
SMILES:	O=C(O)C(NC(=O)c1ccc(cc1)NCC3NC2=C(NC(=NC2=O)N)NC3)CCC(=O)O
InChi:	InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1
Synonyms:	TETRAHYDROFOLIC ACID
Definition date:	2004-08-24
Last modified:	2012-05-10
Identifier:	N-{[4-({[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid

KOL

KOL
Name:	(4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid
Formula:	C17 H27 N3 O5 S
SMILES:	O=C(O)C2=C(SC1CC(C(=O)N(C)C)NC1)C(C(N2)C(C=O)C(O)C)C
InChi:	InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,18-19,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10+,11-,12+,13-/m1/s1
Synonyms:	Meropenem, open form
Definition date:	2011-06-13
Last modified:	2012-05-09
Identifier:	(4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid

L0H

L0H
Name:	N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE
Formula:	C17 H13 N5 O
SMILES:	O=C(c1ccccc1)Nc4cnnc4c2nc3c(n2)cccc3
InChi:	InChI=1S/C17H13N5O/c23-17(11-6-2-1-3-7-11)21-14-10-18-22-15(14)16-19-12-8-4-5-9-13(12)20-16/h1-10H,(H,18,22)(H,19,20)(H,21,23)
Definition date:	2008-10-17
Last modified:	2012-05-09
Identifier:	N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide

ABG

ABG
Name:	ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE
Formula:	C11 H18 N5 O12 P3
SMILES:	O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
Definition date:	2000-11-15
Last modified:	2012-05-07
Identifier:	5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine

04E

04E
Name:	iodoacetic acid
Formula:	C2 H3 I O2
SMILES:	ICC(=O)O
InChi:	InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)
Definition date:	2012-05-07
Last modified:	2012-05-07
Identifier:	iodoacetic acid

V04

V04
Name:	4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide
Formula:	C16 H14 F I N4 O3
SMILES:	Ic1ccc(c(F)c1)Nc2c(ccc3c2cnn3)C(=O)NOCCO
InChi:	InChI=1S/C16H14FIN4O3/c17-12-7-9(18)1-3-14(12)20-15-10(16(24)22-25-6-5-23)2-4-13-11(15)8-19-21-13/h1-4,7-8,20,23H,5-6H2,(H,19,21)(H,22,24)
Definition date:	2012-01-11
Last modified:	2012-05-04
Identifier:	4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide

0KX

0KX
Name:	2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine
Formula:	C9 H17 N4 O12 P3
SMILES:	O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O
InChi:	InChI=1S/C9H17N4O12P3/c10-7-1-2-13(9(15)11-7)8-3-5(14)6(24-8)4-23-26(16,17)12-27(18,19)25-28(20,21)22/h1-2,5-6,8,14H,3-4H2,(H2,10,11,15)(H2,20,21,22)(H3,12,16,17,18,19)/t5-,6+,8+/m0/s1
Definition date:	2012-02-06
Last modified:	2012-05-04
Identifier:	2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine

3V0

3V0
Name:	N-{[(2R)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide
Formula:	C17 H15 F I N3 O5
SMILES:	Ic1ccc(c(F)c1)Nc2c3c(oc2C(=O)NOCC(O)CO)ccnc3
InChi:	InChI=1S/C17H15FIN3O5/c18-12-5-9(19)1-2-13(12)21-15-11-6-20-4-3-14(11)27-16(15)17(25)22-26-8-10(24)7-23/h1-6,10,21,23-24H,7-8H2,(H,22,25)/t10-/m1/s1
Definition date:	2012-01-11
Last modified:	2012-05-04
Identifier:	N-{[(2R)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide

734

734
Name:	5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol
Formula:	C19 H14 Cl N3 O2
SMILES:	Clc1cc(c(O)c2ncccc12)C(Nc3ncccc3)c4occc4
InChi:	InChI=1S/C19H14ClN3O2/c20-14-11-13(19(24)18-12(14)5-3-9-22-18)17(15-6-4-10-25-15)23-16-7-1-2-8-21-16/h1-11,17,24H,(H,21,23)/t17-/m1/s1
Definition date:	2010-07-15
Last modified:	2012-05-04
Identifier:	5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol

FPQ

FPQ
Name:	(2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid
Formula:	C18 H31 O7 P
SMILES:	O=C(O)C(OC/C=C(/C)CCC=C(/C)CCC=C(/C)C)COP(=O)(O)O
InChi:	InChI=1S/C18H31O7P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-24-17(18(19)20)13-25-26(21,22)23/h7,9,11,17H,5-6,8,10,12-13H2,1-4H3,(H,19,20)(H2,21,22,23)/b15-9+,16-11-/t17-/m1/s1
Definition date:	2011-11-22
Last modified:	2012-05-04
Identifier:	(2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid

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