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DFY

DFY
Name:	(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC
Formula:	C21 H19 N3 O2
SMILES:	n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)N(CCO)C
InChi:	InChI=1S/C21H19N3O2/c1-24(12-13-25)20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)23-14-22-20/h2-11,14,25H,12-13H2,1H3
Definition date:	2005-05-05
Last modified:	2011-06-04
Identifier:	2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)(methyl)amino]ethanol

DFZ

DFZ
Name:	3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
Formula:	C20 H18 N4 O
SMILES:	n1c3c(c(nc1)NCCO)c(c(c2ccccc2)n3)c4ccccc4
InChi:	InChI=1S/C20H18N4O/c25-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)24-20(17)23-13-22-19/h1-10,13,25H,11-12H2,(H2,21,22,23,24)
Definition date:	2005-05-09
Last modified:	2011-06-04
Identifier:	2-[(5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol

AS0

AS0
Name:	4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME
Formula:	C28 H35 N O4
SMILES:	O=C5C=C4C(=C3C(c1ccc(C=NO)cc1)CC2(C(CCC2(OC)COC)C3CC4)C)CC5
InChi:	InChI=1S/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,16,23-25,31H,8-13,15,17H2,1-3H3/b29-16+/t23-,24+,25-,27-,28+/m0/s1
Definition date:	2007-02-14
Last modified:	2011-06-04
Identifier:	4-[(11alpha,13alpha,17beta)-17-methoxy-17-(methoxymethyl)-3-oxoestra-4,9-dien-11-yl]benzaldehyde oxime

ASY

ASY
Name:	(12E)-10-oxooctadec-12-enoic acid
Formula:	C18 H32 O3
SMILES:	O=C(C/C=C/CCCCC)CCCCCCCCC(=O)O
InChi:	InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8+
Definition date:	2008-03-10
Last modified:	2011-06-04
Identifier:	(12E)-10-oxooctadec-12-enoic acid

ATH

ATH
Name:	4-HYDROXY-ACONITATE ION
Formula:	C6 H3 O7
SMILES:	[O-]C(=O)C(O)C(=C/C([O-])=O)C(=O)[O-]
InChi:	InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h1,4,9H,(H,7,8)(H,10,11)(H,12,13)/p-3/b2-1+/t4-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1E,3R)-3-hydroxyprop-1-ene-1,2,3-tricarboxylate

AXF

AXF
Name:	(2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE
Formula:	C24 H42 N4 O4 S2
SMILES:	O=C(NCCCC)C(C)CC(O)C1NC(=O)C(NC(=O)C2NCCCC2SCC=CCSC1)C
InChi:	InChI=1S/C24H42N4O4S2/c1-4-5-10-26-22(30)16(2)14-19(29)18-15-33-12-6-7-13-34-20-9-8-11-25-21(20)24(32)27-17(3)23(31)28-18/h6-7,16-21,25,29H,4-5,8-15H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)/b7-6+/t16-,17+,18+,19+,20+,21-/m1/s1
Definition date:	2005-12-07
Last modified:	2011-06-04
Identifier:	(2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(4aS,7E,12R,15S,17aS)-15-methyl-14,17-dioxo-2,3,4,4a,6,9,11,12,13,14,15,16,17,17a-tetradecahydro-1H-pyrido[2,3-i][1,11,4,7]dithiadiazacyclopentadecin-12-yl]butanamide

AXQ

AXQ
Name:	{(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER
Formula:	C31 H55 N5 O7 S2
SMILES:	O=C(NCCCC)C(NC(=O)C(C)CC(O)C1NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)CSCC=CCSC1)C)C(C)C
InChi:	InChI=1S/C31H55N5O7S2/c1-9-10-13-32-29(41)25(19(2)3)36-26(38)20(4)16-24(37)22-17-44-14-11-12-15-45-18-23(35-30(42)43-31(6,7)8)28(40)33-21(5)27(39)34-22/h11-12,19-25,37H,9-10,13-18H2,1-8H3,(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H,36,38)/b12-11+/t20-,21+,22+,23+,24+,25+/m1/s1
Definition date:	2005-12-07
Last modified:	2011-06-04
Identifier:	tert-butyl {(3R,6S,9R,13E)-3-[(1S,3R)-4-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]amino}-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl}carbamate

AYM

AYM
Name:	3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE
Formula:	C19 H20 N4 O
SMILES:	O=C(C=Cc1ccc(nc1)N)N(C)Cc3cc2ccccc2n3C
InChi:	InChI=1S/C19H20N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-12H,13H2,1-2H3,(H2,20,21)/b10-8+
Definition date:	2002-06-25
Last modified:	2011-06-04
Identifier:	(2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]prop-2-enamide

AZA

AZA
Name:	8-AZAXANTHINE
Formula:	C4 H3 N5 O2
SMILES:	O=C2Nc1nnnc1C(=O)N2
InChi:	InChI=1S/C4H3N5O2/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione

B4D

B4D
Name:	(3S)-6-chloro-3-[(prop-2-en-1-ylsulfanyl)methyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
Formula:	C11 H14 Cl N3 O4 S3
SMILES:	O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)CSC/C=C)N
InChi:	InChI=1S/C11H14ClN3O4S3/c1-2-3-20-6-11-14-8-4-7(12)9(21(13,16)17)5-10(8)22(18,19)15-11/h2,4-5,11,14-15H,1,3,6H2,(H2,13,16,17)/t11-/m0/s1
Definition date:	2009-08-06
Last modified:	2011-06-04
Identifier:	(3S)-6-chloro-3-[(prop-2-en-1-ylsulfanyl)methyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

B5D

B5D
Name:	(3S)-7-chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
Formula:	C8 H9 Cl N2 O2 S
SMILES:	Clc1ccc2c(c1)S(=O)(=O)NC(N2)C
InChi:	InChI=1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3/t5-/m0/s1
Definition date:	2009-08-07
Last modified:	2011-06-04
Identifier:	(3S)-7-chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide

B5P

B5P
Name:	N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
Formula:	C19 H22 N6 O6 S2
SMILES:	O=S(=O)(Nc1ccc2c(c1)S(=O)(=O)N=C(N2)C4=C(O)n3ccnc3N(C4=O)CCC(C)C)C
InChi:	InChI=1S/C19H22N6O6S2/c1-11(2)6-8-24-17(26)15(18(27)25-9-7-20-19(24)25)16-21-13-5-4-12(22-32(3,28)29)10-14(13)33(30,31)23-16/h4-5,7,9-11,22,27H,6,8H2,1-3H3,(H,21,23)
Definition date:	2009-05-06
Last modified:	2011-06-04
Identifier:	N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide

IW1

IW1
Name:	2,6-dibromo-4-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenol
Formula:	C14 H8 Br2 Cl2 O
SMILES:	Brc1cc(cc(Br)c1O)C=Cc2c(Cl)cccc2Cl
InChi:	InChI=1S/C14H8Br2Cl2O/c15-10-6-8(7-11(16)14(10)19)4-5-9-12(17)2-1-3-13(9)18/h1-7,19H/b5-4+
Definition date:	2009-08-12
Last modified:	2011-06-04
Identifier:	2,6-dibromo-4-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenol

IW3

IW3
Name:	4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol
Formula:	C14 H11 Br2 N O
SMILES:	Brc1cc(cc(Br)c1O)C=Cc2ccc(N)cc2
InChi:	InChI=1S/C14H11Br2NO/c15-12-7-10(8-13(16)14(12)18)2-1-9-3-5-11(17)6-4-9/h1-8,18H,17H2/b2-1+
Definition date:	2009-08-12
Last modified:	2011-06-04
Identifier:	4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol

IW4

IW4
Name:	4-[(E)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline
Formula:	C14 H12 Br2 N2
SMILES:	Brc1cc(cc(Br)c1N)C=Cc2cccc(N)c2
InChi:	InChI=1S/C14H12Br2N2/c15-12-7-10(8-13(16)14(12)18)5-4-9-2-1-3-11(17)6-9/h1-8H,17-18H2/b5-4+
Definition date:	2009-08-12
Last modified:	2011-06-04
Identifier:	4-[(E)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline

IW5

IW5
Name:	4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromoaniline
Formula:	C14 H12 Br2 N2
SMILES:	Brc1cc(cc(Br)c1N)C=Cc2ccc(N)cc2
InChi:	InChI=1S/C14H12Br2N2/c15-12-7-10(8-13(16)14(12)18)2-1-9-3-5-11(17)6-4-9/h1-8H,17-18H2/b2-1+
Definition date:	2009-08-12
Last modified:	2011-06-04
Identifier:	4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromoaniline

IW6

IW6
Name:	2,6-dibromo-4-[(E)-2-(2,6-dimethoxyphenyl)ethenyl]aniline
Formula:	C16 H15 Br2 N O2
SMILES:	Brc1cc(cc(Br)c1N)C=Cc2c(OC)cccc2OC
InChi:	InChI=1S/C16H15Br2NO2/c1-20-14-4-3-5-15(21-2)11(14)7-6-10-8-12(17)16(19)13(18)9-10/h3-9H,19H2,1-2H3/b7-6+
Definition date:	2009-08-12
Last modified:	2011-06-04
Identifier:	2,6-dibromo-4-[(E)-2-(2,6-dimethoxyphenyl)ethenyl]aniline

IX1

IX1
Name:	5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID
Formula:	C22 H19 N O8
SMILES:	O=C(O)c1noc(c1CO)c3cccc(/C=C/COc2cccc(O)c2C(=O)OC)c3
InChi:	InChI=1S/C22H19NO8/c1-29-22(28)18-16(25)8-3-9-17(18)30-10-4-6-13-5-2-7-14(11-13)20-15(12-24)19(21(26)27)23-31-20/h2-9,11,24-25H,10,12H2,1H3,(H,26,27)/b6-4+
Definition date:	2004-09-20
Last modified:	2011-06-04
Identifier:	5-(3-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]prop-1-en-1-yl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic acid

J28

J28
Name:	5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid
Formula:	C15 H17 N3 O4 S
SMILES:	O=S(=O)(O)c2cc(/N=N/c1cc(c(O)cc1N)C)c(cc2C)C
InChi:	InChI=1S/C15H17N3O4S/c1-8-4-10(3)15(23(20,21)22)7-12(8)17-18-13-5-9(2)14(19)6-11(13)16/h4-7,19H,16H2,1-3H3,(H,20,21,22)/b18-17+
Definition date:	2011-01-05
Last modified:	2011-06-04
Identifier:	5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid

J60

J60
Name:	5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE
Formula:	C22 H27 Cl N4 O2
SMILES:	O=C(NCCN(CC)CC)c1c(c(nc1C)/C=C3/c2cc(Cl)ccc2NC3=O)C
InChi:	InChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
Definition date:	2006-11-29
Last modified:	2011-06-04
Identifier:	5-[(Z)-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

J67

J67
Name:	(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime
Formula:	C25 H19 F N2 O4
SMILES:	O=C3C(=NO)/c2c(C=Cc1ccccc1)cccc2N3Cc5cc(F)cc4c5OCOC4
InChi:	InChI=1S/C25H19FN2O4/c26-20-11-18(24-19(12-20)14-31-15-32-24)13-28-21-8-4-7-17(22(21)23(27-30)25(28)29)10-9-16-5-2-1-3-6-16/h1-12,30H,13-15H2/b10-9+,27-23-
Definition date:	2009-02-16
Last modified:	2011-06-04
Identifier:	(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime

JZI

JZI
Name:	(2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid
Formula:	C22 H19 N O3
SMILES:	O=C(O)C(NC(=O)c2ccc1c(cccc1)c2)CC=Cc3ccccc3
InChi:	InChI=1S/C22H19NO3/c24-21(19-14-13-17-10-4-5-11-18(17)15-19)23-20(22(25)26)12-6-9-16-7-2-1-3-8-16/h1-11,13-15,20H,12H2,(H,23,24)(H,25,26)/b9-6+/t20-/m1/s1
Definition date:	2009-09-28
Last modified:	2011-06-04
Identifier:	(2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid

K05

K05
Name:	(E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE
Formula:	C19 H16 N2 O4
SMILES:	O=C(c1cc(O)c(O)cc1)N/N=C/c3c2ccccc2ccc3OC
InChi:	InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+
Definition date:	2006-08-25
Last modified:	2011-06-04
Identifier:	3,4-dihydroxy-N'-[(1E)-(2-methoxynaphthalen-1-yl)methylidene]benzohydrazide

K10

K10
Name:	1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE
Formula:	C18 H23 N5
SMILES:	n1c(c2c(nc1)n(nc2Cc3cc(ccc3C)C)C(C)(C)C)N
InChi:	InChI=1S/C18H23N5/c1-11-6-7-12(2)13(8-11)9-14-15-16(19)20-10-21-17(15)23(22-14)18(3,4)5/h6-8,10H,9H2,1-5H3,(H2,19,20,21)
Definition date:	2005-11-15
Last modified:	2011-06-04
Identifier:	1-tert-butyl-3-(2,5-dimethylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

K27

K27
Name:	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium
Formula:	C15 H18 N4 O2
SMILES:	O=C(c1cc[n+](cc1)CCC[n+]2ccc(C=NO)cc2)N
InChi:	InChI=1S/C15H16N4O2/c16-15(20)14-4-10-19(11-5-14)7-1-6-18-8-2-13(3-9-18)12-17-21/h2-5,8-12H,1,6-7H2,(H-,16,20)/p+2
Definition date:	2009-05-06
Last modified:	2011-06-04
Identifier:	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium

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