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N5I

N5I
Name:	1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE
Formula:	C13 H15 N2 O8 P
SMILES:	[O-][N+](=O)c2cc1ccn(c1cc2)C3OC(C(O)C3)COP(=O)(O)O
InChi:	InChI=1S/C13H15N2O8P/c16-11-6-13(23-12(11)7-22-24(19,20)21)14-4-3-8-5-9(15(17)18)1-2-10(8)14/h1-5,11-13,16H,6-7H2,(H2,19,20,21)/t11-,12+,13+/m0/s1
Synonyms:	5-NITRO-1-INDOLYL-2'-DEOXYRIBOSIDE-5'-MONOPHOSPHATE
Definition date:	2007-03-21
Last modified:	2021-03-01
Identifier:	1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-nitro-1H-indole

N6M

N6M
Name:	N-METHYL-9H-PURIN-6-AMINE
Formula:	C6 H7 N5
SMILES:	n2c1c(ncn1)c(nc2)NC
InChi:	InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)
Synonyms:	N6-METHYL ADENINE
Definition date:	2010-08-09
Last modified:	2021-03-01
Identifier:	N-methyl-9H-purin-6-amine

N7I

N7I
Name:	4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol
Formula:	C10 H12 O3
SMILES:	Oc1ccc(cc1OC)/C=C/CO
InChi:	InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+
Synonyms:	Coniferyl alcohol
Definition date:	2010-06-02
Last modified:	2021-03-01
Release date:	2012-08-24
Identifier:	4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol

N7P

N7P
Name:	1-ACETYL-L-PROLINE
Formula:	C7 H11 N O3
SMILES:	OC(=O)C1N(C(=O)C)CCC1
InChi:	InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1
Synonyms:	N-ACETYLPROLINE
Definition date:	2003-02-21
Last modified:	2021-03-01
Identifier:	1-acetyl-L-proline

NAI

NAI
Name:	1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
Formula:	C21 H29 N7 O14 P2
SMILES:	NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Synonyms:	NADH
Definition date:	1999-12-13
Last modified:	2021-03-01
Identifier:	[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate

NC3

NC3
Name:	N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE
Formula:	C9 H16 N2 O3
SMILES:	O=C(NC1CCCCC1)NCC(=O)O
InChi:	InChI=1S/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14)
Synonyms:	4-(3-CYCLOHEXYLURIEDO)-ETHANOIC ACID
Definition date:	2005-04-21
Last modified:	2021-03-01
Identifier:	N-(cyclohexylcarbamoyl)glycine

NC4

NC4
Name:	4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID
Formula:	C11 H20 N2 O3
SMILES:	O=C(NC1CCCCC1)NCCCC(=O)O
InChi:	InChI=1S/C11H20N2O3/c14-10(15)7-4-8-12-11(16)13-9-5-2-1-3-6-9/h9H,1-8H2,(H,14,15)(H2,12,13,16)
Synonyms:	4-(3-CYCLOHEXYLURIEDO)-BUTYRIC ACID
Definition date:	2005-04-21
Last modified:	2021-03-01
Identifier:	4-[(cyclohexylcarbamoyl)amino]butanoic acid

NC6

NC6
Name:	6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID
Formula:	C13 H24 N2 O3
SMILES:	O=C(NC1CCCCC1)NCCCCCC(=O)O
InChi:	InChI=1S/C13H24N2O3/c16-12(17)9-5-2-6-10-14-13(18)15-11-7-3-1-4-8-11/h11H,1-10H2,(H,16,17)(H2,14,15,18)
Synonyms:	4-(3-CYCLOHEXYLURIEDO)-HEXANOIC ACID
Definition date:	2005-04-21
Last modified:	2021-03-01
Identifier:	6-[(cyclohexylcarbamoyl)amino]hexanoic acid

NDE

NDE
Name:	ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) P'-5'-ESTER WITH 3-(AMINOCARBONYL)-4-(1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPYL)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM INNER SALT
Formula:	C24 H32 N7 O20 P3
SMILES:	NC(=O)c1c[n+](ccc1[CH](O)C(=O)CO[P](O)(O)=O)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C24H32N7O20P3/c25-20-14-22(28-7-27-20)31(8-29-14)24-19(37)17(35)13(50-24)6-48-54(44,45)51-53(42,43)47-5-12-16(34)18(36)23(49-12)30-2-1-9(10(3-30)21(26)38)15(33)11(32)4-46-52(39,40)41/h1-3,7-8,12-13,15-19,23-24,33-37H,4-6H2,(H7-,25,26,27,28,38,39,40,41,42,43,44,45)/t12-,13-,15?,16-,17-,18-,19-,23-,24-/m1/s1
Synonyms:	NAD WITH (1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPANE)
Definition date:	2002-11-11
Last modified:	2021-03-01
Identifier:	[(2R,3S,4R,5R)-5-[3-aminocarbonyl-4-[(1R)-1-hydroxy-2-oxo-3-phosphonooxy-propyl]pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate

OOC

OOC
Name:	octyl 4-O-beta-D-allopyranosyl-1-thio-beta-D-altropyranoside
Formula:	C20 H38 O10 S
SMILES:	S(CCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
InChi:	InChI=1S/C20H38O10S/c1-2-3-4-5-6-7-8-31-20-17(27)15(25)18(12(10-22)29-20)30-19-16(26)14(24)13(23)11(9-21)28-19/h11-27H,2-10H2,1H3/t11-,12-,13-,14-,15+,16-,17+,18-,19+,20+/m1/s1
Synonyms:	N-BETA-OCTYL-THIO-MALTOSIDE
Definition date:	2014-04-16
Last modified:	2021-03-01
Release date:	2014-12-17
Identifier:	octyl 4-O-beta-D-allopyranosyl-1-thio-beta-D-altropyranoside

OPB

OPB
Name:	4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE
Formula:	C19 H20 N2 O3
SMILES:	O=C2N(c1ccc(O)cc1)N(C(=O)C2CCCC)c3ccccc3
InChi:	InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3/t17-/m0/s1
Synonyms:	OXYPHENBUTAZONE
Definition date:	2003-08-19
Last modified:	2021-03-01
Identifier:	(4S)-4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione

OPC

OPC
Name:	(7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE
Formula:	C45 H87 N O8 P
SMILES:	O=C(OC(COP(=O)(OCC[N+](C)(C)C)O)(C)COC(=O)CCCCCCC=C/CCCCCCCCC)CCCCCC/C=C/CCCCCCCCC
InChi:	InChI=1S/C45H86NO8P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43(47)51-41-45(3,42-53-55(49,50)52-40-39-46(4,5)6)54-44(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h23-26H,7-22,27-42H2,1-6H3/p+1/b25-23-,26-24+/t45-/m1/s1
Synonyms:	DIOLEOYL-PHOSPHATIDYLCHOLINE
Definition date:	2003-10-02
Last modified:	2021-03-01
Identifier:	(4S,7R,17Z)-4-hydroxy-N,N,N,7-tetramethyl-7-[(8E)-octadec-8-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-17-en-1-aminium 4-oxide

OPE

OPE
Name:	PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER
Formula:	C2 H8 N O4 P
SMILES:	O=P(O)(O)OCCN
InChi:	InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
Synonyms:	COLAMINE PHOSPHORIC ACID
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	2-aminoethyl dihydrogen phosphate

61T

61T
Name:	[(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
Formula:	C19 H20 F3 N5 O5 S2
SMILES:	N[S](=O)(=O)OC[CH]1C[CH](Nc2ccnc3cc(nn23)c4cccc(SC(F)(F)F)c4)[CH](O)[CH]1O
InChi:	InChI=1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1
Synonyms:	MLN7243
Definition date:	2016-01-14
Last modified:	2021-03-01
Release date:	2017-06-14
Identifier:	[(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate

629

629
Name:	[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-PIPERIDIN-2-YL)- ACETIC ACID
Formula:	C17 H25 N3 O9
SMILES:	O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C2N(O)CC(O)C(O)(C2O)CO
InChi:	InChI=1S/C17H25N3O9/c18-10(5-8-1-3-9(22)4-2-8)15(25)19-12(16(26)27)13-14(24)17(28,7-21)11(23)6-20(13)29/h1-4,10-14,21-24,28-29H,5-7,18H2,(H,19,25)(H,26,27)/t10-,11-,12-,13-,14-,17-/m0/s1
Synonyms:	SB-239629
Definition date:	2001-07-05
Last modified:	2021-03-01
Identifier:	(2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)ethanoic acid

ORI

ORI
Name:	4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
Formula:	C16 H12 N2 O4 S
SMILES:	O=S(=O)(O)c3ccc(/N=N/c2c1ccccc1c(O)cc2)cc3
InChi:	InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+
Synonyms:	Orange I
Definition date:	2013-03-12
Last modified:	2021-03-01
Release date:	2014-02-12
Identifier:	4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid

64U

64U
Name:	3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide
Formula:	C21 H30 Cl N3 O2
SMILES:	O=C(NCc1cccc(Cl)c1)C3N(C(=O)C(N)CC2CCCCC2)CCC3
InChi:	InChI=1S/C21H30ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h4,8-9,12,15,18-19H,1-3,5-7,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1
Synonyms:	(2S)-1-((2R)-2-amino-3-cyclohexyl-propanoyl)-N-((3-chlorophenyl)methyl)pyrrolidine-2-carboxamide
Definition date:	2008-07-23
Last modified:	2021-03-01
Identifier:	3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide

655

655
Name:	2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
Formula:	C19 H20 N4 O2
SMILES:	[O-]c4c(OC1CCCC1)cccc4c3nc2cc(ccc2n3)C(=[NH2+])N
InChi:	InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)
Synonyms:	CRA_10655
Definition date:	2003-03-14
Last modified:	2021-03-01
Identifier:	2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-(cyclopentyloxy)phenolate

656

656
Name:	2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE
Formula:	C18 H20 N4 O2
SMILES:	[O-]c3c(OCC(C)C)cccc3c2nc1cc(ccc1n2)C(=[NH2+])N
InChi:	InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
Synonyms:	CRA_10656
Definition date:	2003-03-14
Last modified:	2021-03-01
Identifier:	2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-(2-methylpropoxy)phenolate

OTP

OTP
Name:	(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE
Formula:	C40 H68 O7 P2
SMILES:	O=P(O)(O)OP(=O)(O)OC/C=C(/CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)C
InChi:	InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+
Synonyms:	OCTAPRENYL PYROPHOSPHATE
Definition date:	2004-12-06
Last modified:	2021-03-01
Identifier:	(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate

OTR

OTR
Name:	4-(2R-AMINO-1-HYDROXYETHYL)PHENOL
Formula:	C8 H11 N O2
SMILES:	OC(c1ccc(O)cc1)CN
InChi:	InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1
Synonyms:	R-OCTOPAMINE
Definition date:	2003-11-12
Last modified:	2021-03-01
Identifier:	4-[(1R)-2-amino-1-hydroxyethyl]phenol

OTS

OTS
Name:	4-(2S-AMINO-1-HYDROXYETHYL)PHENOL
Formula:	C8 H11 N O2
SMILES:	OC(c1ccc(O)cc1)CN
InChi:	InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m1/s1
Synonyms:	S-OCTOPAMINE
Definition date:	2003-11-12
Last modified:	2021-03-01
Identifier:	4-[(1S)-2-amino-1-hydroxyethyl]phenol

65D

65D
Name:	octyl 3,4,5-trihydroxybenzoate
Formula:	C15 H22 O5
SMILES:	Oc1c(O)cc(C(OCCCCCCCC)=O)cc1O
InChi:	InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3
Synonyms:	Octyl gallate
Definition date:	2016-01-27
Last modified:	2021-03-01
Release date:	2017-01-25
Identifier:	octyl 3,4,5-trihydroxybenzoate

660

660
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid
Formula:	C16 H26 N2 O16 P2
SMILES:	OC[CH]1O[CH](C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C16H26N2O16P2/c19-3-6-10(21)13(24)12(23)8(32-6)5-35(27,28)34-36(29,30)31-4-7-11(22)14(25)15(33-7)18-2-1-9(20)17-16(18)26/h1-2,6-8,10-15,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H,17,20,26)/t6-,7-,8-,10-,11-,12+,13+,14-,15-/m1/s1
Synonyms:	UDP-glucose phosphonate
Definition date:	2016-02-02
Last modified:	2021-03-01
Release date:	2016-03-09
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid

66P

66P
Name:	4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one
Formula:	C18 H21 N5 O
SMILES:	C=1(C=CNC(=O)C=1c2nc3c(n2)cccc3)NC4CCC(CC4)N
InChi:	InChI=1S/C18H21N5O/c19-11-5-7-12(8-6-11)21-15-9-10-20-18(24)16(15)17-22-13-3-1-2-4-14(13)23-17/h1-4,9-12H,5-8,19H2,(H,22,23)(H2,20,21,24)/t11-,12+
Synonyms:	4-[(cis-4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)pyridin-2(1H)-one
Definition date:	2016-02-04
Last modified:	2021-03-01
Release date:	2016-03-16
Identifier:	4-[(cis-4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)pyridin-2(1H)-one

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