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PYU

PYU
Name:	2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol
Formula:	C11 H9 N O4
SMILES:	O=C(c1c(O)cc(O)cc1O)n2cccc2
InChi:	InChI=1S/C11H9NO4/c13-7-5-8(14)10(9(15)6-7)11(16)12-3-1-2-4-12/h1-6,13-15H
Definition date:	2008-09-26
Last modified:	2011-06-04
Identifier:	2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol

U19

U19
Name:	5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE
Formula:	C10 H7 F3 N6
SMILES:	FC(F)(F)c2c(/N=N/C=1C(=[N@H])N=NC=1N)cccc2
InChi:	InChI=1S/C10H7F3N6/c11-10(12,13)5-3-1-2-4-6(5)16-17-7-8(14)18-19-9(7)15/h1-4,14H,15H2/b14-8-,17-16+
Definition date:	2006-04-03
Last modified:	2011-06-04
Identifier:	(3Z)-3-imino-4-{(E)-[2-(trifluoromethyl)phenyl]diazenyl}-3H-pyrazol-5-amine

PYY

PYY
Name:	D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE
Formula:	C11 H15 O7 P
SMILES:	O=P(OCC2OC(c1ccccc1)C(O)C2O)(O)O
InChi:	InChI=1S/C11H15O7P/c12-9-8(6-17-19(14,15)16)18-11(10(9)13)7-4-2-1-3-5-7/h1-5,8-13H,6H2,(H2,14,15,16)/t8-,9-,10-,11+/m1/s1
Definition date:	2000-10-27
Last modified:	2011-06-04
Identifier:	(1S)-1,4-anhydro-1-phenyl-5-O-phosphono-D-ribitol

Y12

Y12
Name:	4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE
Formula:	C21 H21 N O5
SMILES:	O=C(Oc1cc(ccc1OC(=O)C)C=CC(=O)NCCc2ccccc2)C
InChi:	InChI=1S/C21H21NO5/c1-15(23)26-19-10-8-18(14-20(19)27-16(2)24)9-11-21(25)22-13-12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,22,25)/b11-9+
Definition date:	2005-11-10
Last modified:	2011-06-04
Identifier:	4-{(1E)-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}benzene-1,2-diyl diacetate

STL

STL
Name:	RESVERATROL
Formula:	C14 H12 O3
SMILES:	Oc2cc(C=Cc1ccc(O)cc1)cc(O)c2
InChi:	InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

OBZ

OBZ
Name:	O-benzylhydroxylamine
Formula:	C7 H9 N O
SMILES:	[(aminooxy)methyl]benzene
InChi:	InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2
Definition date:	2008-07-23
Last modified:	2011-06-04
Identifier:	O-benzylhydroxylamine

Z00

Z00
Name:	4-[2-[[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]AMINO]ETHYL]-N-(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)BENZENESULFONAMIDE
Formula:	C19 H19 Cl F3 N5 O2 S2
SMILES:	CC(C)c1sc(N[S](=O)(=O)c2ccc(CCNc3ncc(cc3Cl)C(F)(F)F)cc2)nn1
InChi:	InChI=1S/C19H19ClF3N5O2S2/c1-11(2)17-26-27-18(31-17)28-32(29,30)14-5-3-12(4-6-14)7-8-24-16-15(20)9-13(10-25-16)19(21,22)23/h3-6,9-11H,7-8H2,1-2H3,(H,24,25)(H,27,28)
Definition date:	2010-11-19
Last modified:	2011-06-04
Identifier:	4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

TNT

TNT
Name:	1,3-BIS(AMIDINOPHENOXY)PROPANE
Formula:	C17 H20 N4 O2
SMILES:	O(c1ccc(cc1)C(=[N@H])N)CCCOc2ccc(C(=[N@H])N)cc2
InChi:	InChI=1S/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4,4'-[propane-1,3-diylbis(oxy)]dibenzenecarboximidamide

Z12

Z12
Name:	2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide
Formula:	C21 H12 Cl4 N2 O3 S
SMILES:	Clc1ccc(c(Cl)c1)S(=O)(=O)Nc4cc(Cl)c(Oc2cc3ccccc3nc2)c(Cl)c4
InChi:	InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H
Definition date:	2009-01-20
Last modified:	2011-06-04
Identifier:	2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide

Z27

Z27
Name:	2-chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide
Formula:	C20 H10 Cl3 F3 N2 O2 S3
SMILES:	FC(F)(F)c1ccc(c(Cl)c1)S(=O)(=O)Nc4ccc(Sc2nc3cc(Cl)ccc3s2)c(Cl)c4
InChi:	InChI=1S/C20H10Cl3F3N2O2S3/c21-11-2-4-17-15(8-11)27-19(32-17)31-16-5-3-12(9-13(16)22)28-33(29,30)18-6-1-10(7-14(18)23)20(24,25)26/h1-9,28H
Definition date:	2009-10-20
Last modified:	2011-06-04
Identifier:	2-chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide

WOW

WOW
Name:	2-chloro-4-{(2-methylbenzyl)[(3S)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile
Formula:	C20 H22 Cl N3 O2 S
SMILES:	O=S(=O)(N3CCC(N(c1ccc(C#N)c(Cl)c1)Cc2ccccc2C)C3)C
InChi:	InChI=1S/C20H22ClN3O2S/c1-15-5-3-4-6-17(15)13-24(18-8-7-16(12-22)20(21)11-18)19-9-10-23(14-19)27(2,25)26/h3-8,11,19H,9-10,13-14H2,1-2H3/t19-/m0/s1
Definition date:	2009-10-23
Last modified:	2011-06-04
Identifier:	2-chloro-4-{(2-methylbenzyl)[(3S)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile

NJ8

NJ8
Name:	3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile
Formula:	C16 H14 Cl N O2
SMILES:	Clc2cc(C#N)ccc2Oc1ccc(cc1O)CCC
InChi:	InChI=1S/C16H14ClNO2/c1-2-3-11-4-7-16(14(19)9-11)20-15-6-5-12(10-18)8-13(15)17/h4-9,19H,2-3H2,1H3
Definition date:	2010-06-21
Last modified:	2011-06-04
Identifier:	3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile

PMA

PMA
Name:	PYROMELLITIC ACID
Formula:	C10 H6 O8
SMILES:	O=C(O)c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O
InChi:	InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	benzene-1,2,4,5-tetracarboxylic acid

PMB

PMB
Name:	PARA-MERCURY-BENZENESULFONIC ACID
Formula:	C6 H5 Hg O3 S
SMILES:	[Hg]c1ccc(cc1)S(=O)(=O)O
InChi:	InChI=1S/C6H5O3S.Hg/c7-10(8,9)6-4-2-1-3-5-6
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(4-sulfophenyl)mercury

UIB

UIB
Name:	(1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL-5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL-6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL-1-YL}-BENZAMIDINE
Formula:	C26 H32 N4 O3
SMILES:	O=C1N(C(CC)C3C1C(c2ccc(C(=[N@H])N)cc2)N(C)C3(C)C)Cc4ccc5OCOc5c4
InChi:	InChI=1S/C26H32N4O3/c1-5-18-22-21(25(31)30(18)13-15-6-11-19-20(12-15)33-14-32-19)23(29(4)26(22,2)3)16-7-9-17(10-8-16)24(27)28/h6-12,18,21-23H,5,13-14H2,1-4H3,(H3,27,28)/t18-,21+,22-,23+/m1/s1
Definition date:	2003-08-05
Last modified:	2011-06-04
Identifier:	4-[(1R,3aS,4R,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-2,3,3-trimethyl-6-oxooctahydropyrrolo[3,4-c]pyrrol-1-yl]benzenecarboximidamide

TAB

TAB
Name:	ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTER
Formula:	C23 H26 Cl N7 O2
SMILES:	Clc3ccc(c1c(nc(nc1CC)N)N)cc3/N=N/N(Cc2ccccc2)CCOC(=O)C
InChi:	InChI=1S/C23H26ClN7O2/c1-3-19-21(22(25)28-23(26)27-19)17-9-10-18(24)20(13-17)29-30-31(11-12-33-15(2)32)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H4,25,26,27,28)/b30-29+
Definition date:	1999-10-28
Last modified:	2011-06-04
Identifier:	2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]triaz-2-en-1-yl}ethyl acetate

UIP

UIP
Name:	(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE
Formula:	C26 H30 N4 O3
SMILES:	O=C1N(C(CC)C4C1C(c2ccc(C(=[N@H])N)cc2)N3CCCC34)Cc5ccc6OCOc6c5
InChi:	InChI=1S/C26H30N4O3/c1-2-18-22-19-4-3-11-29(19)24(16-6-8-17(9-7-16)25(27)28)23(22)26(31)30(18)13-15-5-10-20-21(12-15)33-14-32-20/h5-10,12,18-19,22-24H,2-4,11,13-14H2,1H3,(H3,27,28)/t18-,19+,22+,23+,24+/m1/s1
Definition date:	2003-06-26
Last modified:	2011-06-04
Identifier:	4-[(1R,3aS,4R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide

UIQ

UIQ
Name:	(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ISOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE
Formula:	C27 H32 N4 O3
SMILES:	O=C1N(C(C(C)C)C4C1C(c2ccc(C(=[N@H])N)cc2)N3CCCC34)Cc5ccc6OCOc6c5
InChi:	InChI=1S/C27H32N4O3/c1-15(2)24-22-19-4-3-11-30(19)25(17-6-8-18(9-7-17)26(28)29)23(22)27(32)31(24)13-16-5-10-20-21(12-16)34-14-33-20/h5-10,12,15,19,22-25H,3-4,11,13-14H2,1-2H3,(H3,28,29)/t19-,22-,23-,24+,25-/m0/s1
Definition date:	2003-06-26
Last modified:	2011-06-04
Identifier:	4-[(1R,3aS,4R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide

UIR

UIR
Name:	(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE
Formula:	C27 H30 N4 O3
SMILES:	O=C2N(C(C1CC1)C5C2C(c3ccc(C(=[N@H])N)cc3)N4CCCC45)Cc6ccc7OCOc7c6
InChi:	InChI=1S/C27H30N4O3/c28-26(29)18-8-6-17(7-9-18)25-23-22(19-2-1-11-30(19)25)24(16-4-5-16)31(27(23)32)13-15-3-10-20-21(12-15)34-14-33-20/h3,6-10,12,16,19,22-25H,1-2,4-5,11,13-14H2,(H3,28,29)/t19-,22-,23-,24+,25-/m0/s1
Definition date:	2003-07-16
Last modified:	2011-06-04
Identifier:	4-[(1R,3aS,4R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide

UIZ

UIZ
Name:	(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL)-1-BENZYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROZILIN-4-YL-BENZAMIDINE
Formula:	C31 H32 N4 O3
SMILES:	O=C2N(C(Cc1ccccc1)C5C2C(c3ccc(C(=[N@H])N)cc3)N4CCCC45)Cc6ccc7OCOc7c6
InChi:	InChI=1S/C31H32N4O3/c32-30(33)22-11-9-21(10-12-22)29-28-27(23-7-4-14-34(23)29)24(15-19-5-2-1-3-6-19)35(31(28)36)17-20-8-13-25-26(16-20)38-18-37-25/h1-3,5-6,8-13,16,23-24,27-29H,4,7,14-15,17-18H2,(H3,32,33)/t23-,24?,27+,28-,29-/m0/s1
Definition date:	2005-02-03
Last modified:	2011-06-04
Identifier:	4-[(1S,3aS,4R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide

VS1

VS1
Name:	3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE
Formula:	C31 H37 N3 O5 S
SMILES:	O=C(NC(C(=O)NC(CCc1ccccc1)CCS(=O)(=O)c2ccccc2)Cc3ccccc3)N4CCOCC4
InChi:	InChI=1S/C31H37N3O5S/c35-30(29(24-26-12-6-2-7-13-26)33-31(36)34-19-21-39-22-20-34)32-27(17-16-25-10-4-1-5-11-25)18-23-40(37,38)28-14-8-3-9-15-28/h1-15,27,29H,16-24H2,(H,32,35)(H,33,36)/t27-,29-/m0/s1
Definition date:	2000-06-07
Last modified:	2011-06-04
Identifier:	Nalpha-(morpholin-4-ylcarbonyl)-N-{(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-L-phenylalaninamide

VS2

VS2
Name:	3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONYLMETHYLBENZENE
Formula:	C35 H38 N2 O5 S
SMILES:	O=S(=O)(Cc1ccccc1)CCC(NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccccc3)CCc4ccccc4
InChi:	InChI=1S/C35H38N2O5S/c38-34(33(25-29-15-7-2-8-16-29)37-35(39)42-26-30-17-9-3-10-18-30)36-32(22-21-28-13-5-1-6-14-28)23-24-43(40,41)27-31-19-11-4-12-20-31/h1-20,32-33H,21-27H2,(H,36,38)(H,37,39)/t32-,33-/m0/s1
Definition date:	2000-06-09
Last modified:	2011-06-04
Identifier:	Nalpha-[(benzyloxy)carbonyl]-N-[(1S)-3-(benzylsulfonyl)-1-(2-phenylethyl)propyl]-L-phenylalaninamide

KBT

KBT
Name:	3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
Formula:	C20 H23 N3 O3
SMILES:	CCCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C
InChi:	InChI=1S/C20H23N3O3/c1-5-6-7-23-17(16(12(2)3)19(25)22-20(23)26)18(24)15-9-13(4)8-14(10-15)11-21/h8-10,12H,5-7H2,1-4H3,(H,22,25,26)
Definition date:	2010-01-15
Last modified:	2011-06-04
Identifier:	3-(3-butyl-2,6-dioxo-5-propan-2-yl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile

PNT

PNT
Name:	1,5-BIS(4-AMIDINOPHENOXY)PENTANE
Formula:	C19 H24 N4 O2
SMILES:	O(c1ccc(cc1)C(=[N@H])N)CCCCCOc2ccc(C(=[N@H])N)cc2
InChi:	InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide

P9B

P9B
Name:	4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
Formula:	C13 H8 F5 N3 O3 S
SMILES:	O=S(=O)(N)c2ccc(NC(=O)Nc1c(F)c(F)c(F)c(F)c1F)cc2
InChi:	InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
Definition date:	2010-05-26
Last modified:	2011-06-04
Identifier:	4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide

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