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O59

O59
Name:	octane-1,8-diyl disulfamate
Formula:	C8 H20 N2 O6 S2
SMILES:	O=S(=O)(OCCCCCCCCOS(=O)(=O)N)N
InChi:	InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14)
Synonyms:	1,8-Octanediol disulfamate
Definition date:	2009-07-20
Last modified:	2020-06-17
Identifier:	octane-1,8-diyl disulfamate

8PL

8PL
Name:	(2R)-2-(4-fluorophenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid
Formula:	C12 H14 F N O3 S
SMILES:	C[CH](CS)C(=O)N[CH](C(O)=O)c1ccc(F)cc1
InChi:	InChI=1S/C12H14FNO3S/c1-7(6-18)11(15)14-10(12(16)17)8-2-4-9(13)5-3-8/h2-5,7,10,18H,6H2,1H3,(H,14,15)(H,16,17)/t7-,10-/m1/s1
Synonyms:	(R)-2-(4-fluorophenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid
Definition date:	2017-08-24
Last modified:	2020-06-17
Release date:	2018-01-24
Identifier:	(2~{R})-2-(4-fluorophenyl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid

8PR

8PR
Name:	Paroxetine
Formula:	C19 H20 F N O3
SMILES:	Fc1ccc(cc1)C2CCNCC2COc3ccc4OCOc4c3
InChi:	InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Synonyms:	(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
Definition date:	2011-07-11
Last modified:	2020-06-17
Release date:	2012-09-21
Identifier:	(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine

8Q1

8Q1
Name:	S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate
Formula:	C23 H45 N2 O8 P S
SMILES:	O=C(CCCCCCCCCCC)SCCNC(CCNC(C(C(COP(=O)(O)O)(C)C)O)=O)=O
InChi:	InChI=1S/C23H45N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-20(27)35-17-16-24-19(26)14-15-25-22(29)21(28)23(2,3)18-33-34(30,31)32/h21,28H,4-18H2,1-3H3,(H,24,26)(H,25,29)(H2,30,31,32)/t21-/m0/s1
Synonyms:	S-dodecanoyl-4'-phosphopantetheine
Definition date:	2017-02-28
Last modified:	2020-06-17
Release date:	2017-06-21
Identifier:	S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate

O6P

O6P
Name:	Doripenem
Formula:	C15 H24 N4 O6 S2
SMILES:	C2(C(SC1CC(CNS(N)(=O)=O)NC1)=C(C(O)=O)N3C2C(C3=O)C(C)O)C
InChi:	InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1
Synonyms:	(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-aza bicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Definition date:	2019-06-12
Last modified:	2020-06-17
Release date:	2019-08-07
Identifier:	(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

O7B

O7B
Name:	(3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one
Formula:	C19 H24 N2 O
SMILES:	O=C1N(C[CH]2CCCc3cccc1c23)[CH]4CN5CCC4CC5
InChi:	InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1
Synonyms:	Palonosetron
Definition date:	2020-02-17
Last modified:	2020-06-17
Release date:	2020-03-04
Identifier:	(3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one

O7Z

O7Z
Name:	2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid
Formula:	C17 H18 Cl2 O4
SMILES:	CC1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3
InChi:	InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)
Synonyms:	indanyloxyacetic acid-94
Definition date:	2020-02-19
Last modified:	2020-06-17
Release date:	2020-03-11
Identifier:	2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid

O8M

O8M
Name:	2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide
Formula:	C14 H21 N7 O4
SMILES:	O=C(N)CN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O
InChi:	InChI=1S/C14H21N7O4/c1-6-19-9-12(16)17-5-18-13(9)21(6)14-11(24)10(23)7(25-14)3-20(2)4-8(15)22/h5,7,10-11,14,23-24H,3-4H2,1-2H3,(H2,15,22)(H2,16,17,18)/t7-,10-,11-,14-/m1/s1
Synonyms:	5'-[(carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine
Definition date:	2008-07-31
Last modified:	2020-06-17
Identifier:	2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide

OAQ

OAQ
Name:	{(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Formula:	C14 H21 N3 O3
SMILES:	[O-][N+](=O)c1c(cc2c(c1)NC(CC2)CNC(C)C)CO
InChi:	InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3/t12-/m0/s1
Synonyms:	Oxamniquine
Definition date:	2013-09-24
Last modified:	2020-06-17
Release date:	2013-12-18
Identifier:	{(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol

OCB

OCB
Name:	OCTANOYLCARNITINE
Formula:	C15 H30 N O4
SMILES:	O=C(O)CC(OC(=O)CCCCCCC)C[N+](C)(C)C
InChi:	InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/p+1/t13-/m1/s1
Synonyms:	3-CARBOXY-N,N,N-TRIMETHYL-2-(OCTANOYLOXY)PROPAN-1-AMINIUM
Definition date:	2004-10-12
Last modified:	2020-06-17
Identifier:	(2R)-3-carboxy-N,N,N-trimethyl-2-(octanoyloxy)propan-1-aminium

OCR

OCR
Name:	(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid
Formula:	C20 H30 O3
SMILES:	O=C(C=CC=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC
InChi:	InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9-,17-14+
Synonyms:	15-oxo-eicosatetraenoic acid
Definition date:	2008-03-17
Last modified:	2020-06-17
Identifier:	(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid

OCV

OCV
Name:	N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE
Formula:	C14 H24 N2 O7 S
SMILES:	O=C(OC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CS
InChi:	InChI=1S/C14H24N2O7S/c1-7(2)11(13(20)21)23-14(22)9(6-24)16-10(17)5-3-4-8(15)12(18)19/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/t8-,9-,11+/m0/s1
Synonyms:	L-D-(A-AMINOADIPOYL)-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER
Definition date:	2001-04-12
Last modified:	2020-06-17
Identifier:	N~6~-[(1R)-2-{[(1R)-1-carboxy-2-methylpropyl]oxy}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine

OCX

OCX
Name:	(5E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid
Formula:	C20 H30 O3
SMILES:	O=C(C=CC=CC/C=C/CCCCC)C/C=C/CCCC(=O)O
InChi:	InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6+,10-9+,14-11+,16-13?
Synonyms:	8-oxo-eicosatetraenoic acid
Definition date:	2008-03-17
Last modified:	2020-06-17
Identifier:	(5E,9E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid

ODD

ODD
Name:	(10E,12Z)-OCTADECA-10,12-DIENOIC ACID
Formula:	C18 H32 O2
SMILES:	O=C(O)CCCCCCCCC=CC=C/CCCCC
InChi:	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+
Synonyms:	10-TRANS-12-CIS-OCTADECADIENOIC ACID
Definition date:	2005-10-24
Last modified:	2020-06-17
Identifier:	(10E,12Z)-octadeca-10,12-dienoic acid

ODI

ODI
Name:	OCTANE-1,8-DIOL
Formula:	C8 H18 O2
SMILES:	OCCCCCCCCO
InChi:	InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
Synonyms:	1,8-OCTANEDIOL
Definition date:	2006-04-23
Last modified:	2020-06-17
Identifier:	octane-1,8-diol

ODK

ODK
Name:	3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
Formula:	C9 H7 N3 O2
SMILES:	O=C(O)c1cc(nn1)c2ncccc2
InChi:	InChI=1S/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6/h1-5H,(H,11,12)(H,13,14)
Synonyms:	5-Pyridin-2-yl-2H-pyrazole-3-carboxylic acid
Definition date:	2010-08-12
Last modified:	2020-06-17
Identifier:	3-(pyridin-2-yl)-1H-pyrazole-5-carboxylic acid

ODT

ODT
Name:	(11E,13E,15Z)-OCTADECA-11,13,15-TRIENOIC ACID
Formula:	C18 H30 O2
SMILES:	O=C(O)CCCCCCCCCC=CC=CC=C/CC
InChi:	InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-8H,2,9-17H2,1H3,(H,19,20)/b4-3-,6-5+,8-7+
Synonyms:	11-TRANS-13-TRANS-15-CIS-OCTADECATRIENOIC ACID
Definition date:	2005-10-24
Last modified:	2020-06-17
Identifier:	(11E,13E,15Z)-octadeca-11,13,15-trienoic acid

OGK

OGK
Name:	(1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid
Formula:	C18 H27 N O4
SMILES:	O=C(NC1(C(=O)O)CC1CC)C3CC(CC)CC2C(=O)CCC23
InChi:	InChI=1S/C18H27NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h10-14H,3-9H2,1-2H3,(H,19,21)(H,22,23)/t10-,11+,12+,13+,14+,18+/m1/s1
Synonyms:	Coronatine
Definition date:	2010-09-07
Last modified:	2020-06-17
Identifier:	(1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid

OGN

OGN
Name:	[(Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate
Formula:	C15 H19 N3 O7
SMILES:	O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)C)Nc2ccccc2
InChi:	InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12+,13-/m1/s1
Synonyms:	Gal-PUGNAc
Definition date:	2011-09-22
Last modified:	2020-06-17
Identifier:	N-[(2Z,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)

OHB

OHB
Name:	salicylamide
Formula:	C7 H7 N O2
SMILES:	O=C(c1ccccc1O)N
InChi:	InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)
Synonyms:	2-hydroxybenzamide
Definition date:	2013-04-10
Last modified:	2020-06-17
Release date:	2013-10-09
Identifier:	2-hydroxybenzamide

OHW

OHW
Name:	4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine
Formula:	C23 H32 F3 N3 O2
SMILES:	CCCc1c([nH]c2cc(OC(F)(F)F)ccc12)[CH]3CCCCN3CCN4CCOCC4
InChi:	InChI=1S/C23H32F3N3O2/c1-2-5-19-18-8-7-17(31-23(24,25)26)16-20(18)27-22(19)21-6-3-4-9-29(21)11-10-28-12-14-30-15-13-28/h7-8,16,21,27H,2-6,9-15H2,1H3/t21-/m1/s1
Synonyms:	CAD204520
Definition date:	2020-03-12
Last modified:	2020-06-17
Release date:	2020-05-20
Identifier:	4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine

OID

OID
Name:	10-(1H-imidazol-1-yl)decanoic acid
Formula:	C13 H22 N2 O2
SMILES:	O=C(O)CCCCCCCCCn1ccnc1
InChi:	InChI=1S/C13H22N2O2/c16-13(17)8-6-4-2-1-3-5-7-10-15-11-9-14-12-15/h9,11-12H,1-8,10H2,(H,16,17)
Synonyms:	10-imidazolyl-decanoic acid
Definition date:	2009-03-27
Last modified:	2020-06-17
Identifier:	10-(1H-imidazol-1-yl)decanoic acid

OIS

OIS
Name:	(S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(HYDROXYIMINO)METHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YL)-3-METHYL-2-(3 -((2-METHYLTHIAZOL-4-YL)METHYL)-2-OXOIMIDAZOLIDIN-1-YL)BUTANAMIDE
Formula:	C34 H46 N6 O6 S2
SMILES:	O=S(=O)(c1ccc(C=NO)cc1)N(CC(C)C)CC(O)C(NC(=O)C(N2C(=O)N(CC2)Cc3nc(sc3)C)C(C)C)Cc4ccccc4
InChi:	InChI=1S/C34H46N6O6S2/c1-23(2)19-39(48(45,46)29-13-11-27(12-14-29)18-35-44)21-31(41)30(17-26-9-7-6-8-10-26)37-33(42)32(24(3)4)40-16-15-38(34(40)43)20-28-22-47-25(5)36-28/h6-14,18,22-24,30-32,41,44H,15-17,19-21H2,1-5H3,(H,37,42)/b35-18+/t30-,31+,32-/m0/s1
Synonyms:	OXIMINOARYLSULFONAMIDE
Definition date:	2005-02-11
Last modified:	2020-06-17
Identifier:	(2S)-N-{(1S,2R)-1-benzyl-2-hydroxy-3-[({4-[(E)-(hydroxyimino)methyl]phenyl}sulfonyl)(2-methylpropyl)amino]propyl}-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl}butanamide

QLI

QLI
Name:	(5S,6S)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid
Formula:	C10 H11 N O5
SMILES:	O=C(O)C1=CC=CC(O/C(C(=O)O)=C)C1N
InChi:	InChI=1S/C10H11NO5/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8H,1,11H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1
Synonyms:	2-amino-2-deoxy-isochorismic acid
Definition date:	2011-03-23
Last modified:	2020-06-17
Identifier:	(5S,6S)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid

QLP

QLP
Name:	N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-GLUTAMINE
Formula:	C13 H20 N3 O8 P
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCC(=O)N
InChi:	InChI=1S/C13H20N3O8P/c1-7-12(18)9(8(4-15-7)6-24-25(21,22)23)5-16-10(13(19)20)2-3-11(14)17/h4,10,16,18H,2-3,5-6H2,1H3,(H2,14,17)(H,19,20)(H2,21,22,23)/t10-/m0/s1
Synonyms:	N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-GLUTAMINE
Definition date:	2006-11-17
Last modified:	2020-06-17
Identifier:	N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamine

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