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ROK

ROK
Name:	4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE
Formula:	C9 H13 N3 O3 S2
SMILES:	O=S(=O)(c1ccc(N)cc1)NC(=O)NCCS
InChi:	InChI=1S/C9H13N3O3S2/c10-7-1-3-8(4-2-7)17(14,15)12-9(13)11-5-6-16/h1-4,16H,5-6,10H2,(H2,11,12,13)
Definition date:	2008-05-09
Last modified:	2011-06-04
Identifier:	4-amino-N-[(2-sulfanylethyl)carbamoyl]benzenesulfonamide

ROM

ROM
Name:	C-1027 AROMATIZED CHROMOPHORE
Formula:	C43 H45 Cl N3 O13
SMILES:	O=C2C(Oc1cc(OC)cc(c1N2)C(=O)OC6c8cc7C4=CC=CC4(OC3OC(C(N(C)C)C(O)C3O)(C)C)C(Oc5c(O)cc(cc5Cl)C([NH3+])CC(=O)OC6)c7cc8)=C
InChi:	InChI=1S/C43H44ClN3O13/c1-19-39(52)46-33-25(15-22(54-6)16-30(33)56-19)40(53)57-31-18-55-32(49)17-28(45)21-13-27(44)36(29(48)14-21)58-38-23-10-9-20(31)12-24(23)26-8-7-11-43(26,38)60-41-35(51)34(50)37(47(4)5)42(2,3)59-41/h7-16,28,31,34-35,37-38,41,48,50-51H,1,17-18,45H2,2-6H3,(H,46,52)/p+1/t28-,31-,34-,35+,37-,38+,41-,43+/m0/s1
Definition date:	2001-02-01
Last modified:	2011-06-04
Identifier:	(6S,11R,18aR,18bR)-21-chloro-18a-{[4,6-dideoxy-4-(dimethylamino)-5-methyl-beta-D-allopyranosyl]oxy}-3-hydroxy-11-{[(7-methoxy-2-methylidene-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-5-yl)carbonyl]oxy}-8-oxo-7,8,10,11,18a,18b-hexahydro-6H-2,5-etheno-12,15-(metheno)pentaleno[1,2-b][1,9]dioxacyclohexadecin-6-aminium

3CY

3CY
Name:	(3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID
Formula:	C31 H34 N4 O9 S
SMILES:	O=C(O)CC(C(=O)CSCc1ccccc1)NC(=O)C4N3c2c(cccc2CCC(C3=O)NC(=O)C(NC(=O)C)CC(=O)O)C4
InChi:	InChI=1S/C31H34N4O9S/c1-17(36)32-23(14-27(40)41)29(42)33-21-11-10-19-8-5-9-20-12-24(35(28(19)20)31(21)44)30(43)34-22(13-26(38)39)25(37)16-45-15-18-6-3-2-4-7-18/h2-9,21-24H,10-16H2,1H3,(H,32,36)(H,33,42)(H,34,43)(H,38,39)(H,40,41)/t21-,22-,23-,24-/m0/s1
Definition date:	2003-11-24
Last modified:	2011-06-04
Identifier:	(3S)-3-[({(2S,5S)-5-[(N-acetyl-L-alpha-aspartyl)amino]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-yl}carbonyl)amino]-5-(benzylsulfanyl)-4-oxopentanoic acid

3CZ

3CZ
Name:	(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine
Formula:	C21 H27 N3 O4 S
SMILES:	[O-][N+](=O)c1ccc(cc1)N2CC(N(CC2)S(=O)(=O)c3ccc(cc3)C(C)(C)C)C
InChi:	InChI=1S/C21H27N3O4S/c1-16-15-22(18-7-9-19(10-8-18)24(25)26)13-14-23(16)29(27,28)20-11-5-17(6-12-20)21(2,3)4/h5-12,16H,13-15H2,1-4H3/t16-/m1/s1
Definition date:	2008-04-30
Last modified:	2011-06-04
Identifier:	(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine

3DA

3DA
Name:	3'-DEOXYADENOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N5 O6 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3
InChi:	InChI=1S/C10H14N5O6P/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(21-10)2-20-22(17,18)19/h3-6,10,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1
Definition date:	2004-02-09
Last modified:	2011-06-04
Identifier:	3'-deoxy-5'-adenylic acid

RP4

RP4
Name:	(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
Formula:	C19 H18 O5 S
SMILES:	O=C(O)C3(O)C=C(c2cccc(Sc1ccccc1)c2)C(O)C(O)C3
InChi:	InChI=1S/C19H18O5S/c20-16-11-19(24,18(22)23)10-15(17(16)21)12-5-4-8-14(9-12)25-13-6-2-1-3-7-13/h1-10,16-17,20-21,24H,11H2,(H,22,23)/t16-,17-,19+/m1/s1
Definition date:	2006-03-31
Last modified:	2011-06-04
Identifier:	(1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylsulfanyl)phenyl]cyclohex-2-ene-1-carboxylic acid

3DD

3DD
Name:	(2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID
Formula:	C10 H12 N4 O4
SMILES:	O=C(O)C(O)C(O)Cn1c2ccnc(c2nc1)N
InChi:	InChI=1S/C10H12N4O4/c11-9-7-5(1-2-12-9)14(4-13-7)3-6(15)8(16)10(17)18/h1-2,4,6,8,15-16H,3H2,(H2,11,12)(H,17,18)/t6-,8-/m1/s1
Definition date:	2006-06-05
Last modified:	2011-06-04
Identifier:	(2R,3R)-4-(4-amino-1H-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxybutanoic acid

RPA

RPA
Name:	RHODOPINAL GLUCOSIDE
Formula:	C46 H66 O7
SMILES:	O(C(CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CC=C(/C)C)C)C)CO)C)C)C)(C)C)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C46H66O7/c1-34(2)18-12-20-36(4)22-14-25-38(6)27-16-30-40(32-47)29-11-10-19-35(3)21-13-23-37(5)24-15-26-39(7)28-17-31-46(8,9)53-45-44(51)43(50)42(49)41(33-48)52-45/h10-16,18-27,29-30,41-45,47-51H,17,28,31-33H2,1-9H3/b11-10+,20-12?,21-13+,24-15+,25-14+,30-16+,35-19+,36-22+,37-23+,38-27+,39-26+,40-29-/t41-,42-,43+,44-,45+/m1/s1
Definition date:	2001-05-03
Last modified:	2011-06-04
Identifier:	(3E)-20-hydroxy-3,4-didehydro-1',2'-dihydro-psi,psi-caroten-1'-yl beta-D-glucopyranoside

RPF

RPF
Name:	1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-PHENYL}-6-(1,2,,3,4-TETRAHYDRO-QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-2-ONE
Formula:	C31 H37 N3 O5
SMILES:	O=C5N(c2ccc(OCCCOCc1ccccc1OC)cc2)C(COc4ccc3c(NCCC3)c4)CNC5
InChi:	InChI=1S/C31H37N3O5/c1-36-30-8-3-2-6-24(30)21-37-16-5-17-38-27-13-10-25(11-14-27)34-26(19-32-20-31(34)35)22-39-28-12-9-23-7-4-15-33-29(23)18-28/h2-3,6,8-14,18,26,32-33H,4-5,7,15-17,19-22H2,1H3/t26-/m0/s1
Definition date:	2005-02-18
Last modified:	2011-06-04
Identifier:	(6S)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-[(1,2,3,4-tetrahydroquinolin-7-yloxy)methyl]piperazin-2-one

3DT

3DT
Name:	3-methylthymidine
Formula:	C11 H16 N2 O5
SMILES:	CN1C(=O)N(C=C(C)C1=O)[CH]2C[CH](O)[CH](CO)O2
InChi:	InChI=1S/C11H16N2O5/c1-6-4-13(11(17)12(2)10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,3,5H2,1-2H3/t7-,8+,9+/m0/s1
Definition date:	2010-02-16
Last modified:	2011-06-04
Identifier:	1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethyl-pyrimidine-2,4-dione

RPN

RPN
Name:	(R)-1-PARA-NITRO-PHENYL-2-AZIDO-ETHANOL
Formula:	C8 H8 N4 O3
SMILES:	[O-][N+](=O)c1ccc(cc1)C(O)C/N=[N+]=[N-]
InChi:	InChI=1S/C8H8N4O3/c9-11-10-5-8(13)6-1-3-7(4-2-6)12(14)15/h1-4,8,13H,5H2/t8-/m0/s1
Definition date:	2003-07-11
Last modified:	2011-06-04
Identifier:	(1R)-2-azido-1-(4-nitrophenyl)ethanol

RPP

RPP
Name:	2-RIBOFURANOSYL-3-IODO-2,3-DIHYDRO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
Formula:	C10 H14 I N5 O4
SMILES:	IC2c1c(ncnc1N(N2)C3OC(C(O)C3O)CO)N
InChi:	InChI=1S/C10H14IN5O4/c11-7-4-8(12)13-2-14-9(4)16(15-7)10-6(19)5(18)3(1-17)20-10/h2-3,5-7,10,15,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,7+,10-/m1/s1
Definition date:	1999-12-01
Last modified:	2011-06-04
Identifier:	(3R)-3-iodo-1-beta-D-ribofuranosyl-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine

3EJ

3EJ
Name:	4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid
Formula:	C22 H17 F N6 O3
SMILES:	Fc1cccc(c1)CNC(=O)c4nccc(c2nn(nn2)Cc3ccc(C(=O)O)cc3)c4
InChi:	InChI=1S/C22H17FN6O3/c23-18-3-1-2-15(10-18)12-25-21(30)19-11-17(8-9-24-19)20-26-28-29(27-20)13-14-4-6-16(7-5-14)22(31)32/h1-11H,12-13H2,(H,25,30)(H,31,32)
Definition date:	2009-10-29
Last modified:	2011-06-04
Identifier:	4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid

3ET

3ET
Name:	O-[(2R)-2-amino-3-(D-seryloxy)propanoyl]-N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine
Formula:	C16 H21 N3 O10
SMILES:	O=C(OCC(N)C(=O)OCC(C(=O)O)NC(=O)c1cccc(O)c1O)C(N)CO
InChi:	InChI=1S/C16H21N3O10/c17-8(4-20)15(26)28-5-9(18)16(27)29-6-10(14(24)25)19-13(23)7-2-1-3-11(21)12(7)22/h1-3,8-10,20-22H,4-6,17-18H2,(H,19,23)(H,24,25)/t8-,9-,10+/m1/s1
Definition date:	2009-06-26
Last modified:	2011-06-04
Identifier:	O-[(2R)-2-amino-3-(D-seryloxy)propanoyl]-N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine

3FD

3FD
Name:	4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
Formula:	C25 H23 Cl2 N7 O4
SMILES:	Clc1ccc(cc1Cl)CNc3nc2c(ncnc2n3C4OC(C(O)C4O)COCc5ccc(C#N)cc5)N
InChi:	InChI=1S/C25H23Cl2N7O4/c26-16-6-5-15(7-17(16)27)9-30-25-33-19-22(29)31-12-32-23(19)34(25)24-21(36)20(35)18(38-24)11-37-10-14-3-1-13(8-28)2-4-14/h1-7,12,18,20-21,24,35-36H,9-11H2,(H,30,33)(H2,29,31,32)/t18-,20-,21-,24-/m1/s1
Definition date:	2009-01-28
Last modified:	2011-06-04
Identifier:	5'-O-(4-cyanobenzyl)-8-[(3,4-dichlorobenzyl)amino]adenosine

3FI

3FI
Name:	3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid
Formula:	C16 H18 N4 O5
SMILES:	O=C1NC(=CC(=O)N1)CNCCCON=Cc2cccc(C(=O)O)c2
InChi:	InChI=1S/C16H18N4O5/c21-14-8-13(19-16(24)20-14)10-17-5-2-6-25-18-9-11-3-1-4-12(7-11)15(22)23/h1,3-4,7-9,17H,2,5-6,10H2,(H,22,23)(H2,19,20,21,24)/b18-9+
Definition date:	2008-11-24
Last modified:	2011-06-04
Identifier:	3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid

3FL

3FL
Name:	3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
Formula:	C17 H22 N4 O4
SMILES:	O=C1NC(=CC(=O)N1)CNCCCCNCc2cc(C(=O)O)ccc2
InChi:	InChI=1S/C17H22N4O4/c22-15-9-14(20-17(25)21-15)11-19-7-2-1-6-18-10-12-4-3-5-13(8-12)16(23)24/h3-5,8-9,18-19H,1-2,6-7,10-11H2,(H,23,24)(H2,20,21,22,25)
Definition date:	2008-11-24
Last modified:	2011-06-04
Identifier:	3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid

3FN

3FN
Name:	6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
Formula:	C19 H18 F2 N4 O3
SMILES:	Fc4ccc(OC=2C(=O)N(c1nc(ncc1C=2)NC3CCOCC3)C)c(F)c4
InChi:	InChI=1S/C19H18F2N4O3/c1-25-17-11(10-22-19(24-17)23-13-4-6-27-7-5-13)8-16(18(25)26)28-15-3-2-12(20)9-14(15)21/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24)
Definition date:	2008-12-29
Last modified:	2011-06-04
Identifier:	6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one

3FT

3FT
Name:	2-({[3-FLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID
Formula:	C20 H15 F4 N O4
SMILES:	O=C(C1=C(C(=O)O)CCC1)Nc3ccc(c2cccc(OC(F)(F)F)c2)cc3F
InChi:	InChI=1S/C20H15F4NO4/c21-16-10-12(11-3-1-4-13(9-11)29-20(22,23)24)7-8-17(16)25-18(26)14-5-2-6-15(14)19(27)28/h1,3-4,7-10H,2,5-6H2,(H,25,26)(H,27,28)
Definition date:	2005-07-27
Last modified:	2011-06-04
Identifier:	2-{[3-fluoro-3'-(trifluoromethoxy)biphenyl-4-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid

RRP

RRP
Name:	3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE
Formula:	C20 H19 Cl N4 O3 S2
SMILES:	O=C2N(Cc1cc(C(=[N@H])N)ccc1)CCN(C2)S(=O)(=O)c4sc3cc(Cl)ccc3c4
InChi:	InChI=1S/C20H19ClN4O3S2/c21-16-5-4-14-9-19(29-17(14)10-16)30(27,28)25-7-6-24(18(26)12-25)11-13-2-1-3-15(8-13)20(22)23/h1-5,8-10H,6-7,11-12H2,(H3,22,23)
Definition date:	2003-01-27
Last modified:	2011-06-04
Identifier:	3-({4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide

RRR

RRR
Name:	4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE
Formula:	C18 H17 Cl N4 O3 S2
SMILES:	Clc4sc(/C=C/S(=O)(=O)N3CC(=O)N(Cc2cc1cnccc1n2)CC3)cc4
InChi:	InChI=1S/C18H17ClN4O3S2/c19-17-2-1-15(27-17)4-8-28(25,26)23-7-6-22(18(24)12-23)11-14-9-13-10-20-5-3-16(13)21-14/h1-5,8-10,21H,6-7,11-12H2/b8-4+
Definition date:	2003-01-29
Last modified:	2011-06-04
Identifier:	4-{[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one

3FZ

3FZ
Name:	3-formylbenzenecarboximidamide
Formula:	C8 H8 N2 O
SMILES:	O=Cc1cccc(C(=[N@H])N)c1
InChi:	InChI=1S/C8H8N2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-5H,(H3,9,10)
Definition date:	2009-10-08
Last modified:	2011-06-04
Identifier:	3-formylbenzenecarboximidamide

3G3

3G3
Name:	2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Formula:	C11 H9 N5 O2
SMILES:	O=C1N(C(=O)c2ccccc12)CCc3nnnn3
InChi:	InChI=1S/C11H9N5O2/c17-10-7-3-1-2-4-8(7)11(18)16(10)6-5-9-12-14-15-13-9/h1-4H,5-6H2,(H,12,13,14,15)
Definition date:	2009-02-03
Last modified:	2011-06-04
Identifier:	2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione

RS1

RS1
Name:	4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE
Formula:	C19 H20 Cl N O6 S
SMILES:	O=S(=O)(c2ccc(Oc1ccc(Cl)cc1)cc2)CC3(C(=O)NO)CCOCC3
InChi:	InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-({[4-(4-chlorophenoxy)phenyl]sulfonyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide

RS2

RS2
Name:	N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE
Formula:	C19 H21 N O6 S
SMILES:	O=S(=O)(c2ccc(Oc1ccccc1)cc2)C3(CC(=O)NO)CCOCC3
InChi:	InChI=1S/C19H21NO6S/c21-18(20-22)14-19(10-12-25-13-11-19)27(23,24)17-8-6-16(7-9-17)26-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,20,21)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N-hydroxy-2-{4-[(4-phenoxyphenyl)sulfonyl]tetrahydro-2H-pyran-4-yl}acetamide

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