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6JR

6JR
Name:	3-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one
Formula:	C18 H16 N5 O7 P
SMILES:	n54C(c3ncn(C2OC1COP(OC1C2O)(O)=O)c3Nc4nc(c5)c6ccccc6)=O
InChi:	InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1
Synonyms:	PET-cGMP
Definition date:	2016-04-19
Last modified:	2021-03-01
Release date:	2017-08-09
Identifier:	3-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one

L69

L69
Name:	[1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid
Formula:	C8 H12 O8 P2
SMILES:	CC(Oc1ccc(O)cc1)([P](O)(O)=O)[P](O)(O)=O
InChi:	InChI=1S/C8H12O8P2/c1-8(17(10,11)12,18(13,14)15)16-7-4-2-6(9)3-5-7/h2-5,9H,1H3,(H2,10,11,12)(H2,13,14,15)
Synonyms:	L-690330
Definition date:	2018-05-16
Last modified:	2021-03-01
Release date:	2018-10-17
Identifier:	[1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid

6LD

6LD
Name:	Sacubitrilat
Formula:	C22 H25 N O5
SMILES:	c1(ccc(CC(NC(CCC(=O)O)=O)CC(C)C(O)=O)cc1)c2ccccc2
InChi:	InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19+/m1/s1
Synonyms:	LBQ657
Definition date:	2016-04-29
Last modified:	2021-03-01
Release date:	2016-06-15
Identifier:	(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-[(3-carboxypropanoyl)amino]-2-methylpentanoic acid

L7O

L7O
Name:	N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide
Formula:	C22 H24 N6 O2
SMILES:	O=C2NC=C(c1nc(ncc1)NC)C=C2NC(=O)c3ccc(cc3)N4CCCCC4
InChi:	InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27)
Synonyms:	3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylamino)pyrimidin-4-yl)-(1H)-pyridin-2-one
Definition date:	2011-05-26
Last modified:	2021-03-01
Identifier:	N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide

881

881
Name:	N',N''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide
Formula:	C38 H40 N8 O3
SMILES:	n1ccccc1/C(=N/c7ccc(c5oc(c4c(OC2CCNCC2)cc(N=C(c3ncccc3)N)cc4)cc5)c(OC6CCNCC6)c7)N
InChi:	InChI=1S/C38H40N8O3/c39-37(31-5-1-3-17-43-31)45-25-7-9-29(35(23-25)47-27-13-19-41-20-14-27)33-11-12-34(49-33)30-10-8-26(46-38(40)32-6-2-4-18-44-32)24-36(30)48-28-15-21-42-22-16-28/h1-12,17-18,23-24,27-28,41-42H,13-16,19-22H2,(H2,39,45)(H2,40,46)
Synonyms:	DB1880
Definition date:	2010-08-24
Last modified:	2021-03-01
Identifier:	N',N''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide

L9R

L9R
Name:	(2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Formula:	C44 H86 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,42H,6-20,22,24-41H2,1-5H3/b23-21-/t42-/m0/s1
Synonyms:	1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine
Definition date:	2010-03-19
Last modified:	2021-03-01
Identifier:	(2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

LA9

LA9
Name:	(2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
Formula:	C21 H33 N2 O6 P
SMILES:	O=C(NC(C(=O)NC(C)P(=O)(O)CC(C(=O)O)CCc1ccccc1)CC(C)C)C
InChi:	InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1
Synonyms:	Acetyl-Leu-Ala-y(PO2CH2)-homoPhe-OH
Definition date:	2014-12-17
Last modified:	2021-03-01
Release date:	2016-01-20
Identifier:	(2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid

LAM

LAM
Name:	4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE
Formula:	C24 H35 N O17 S
SMILES:	[O-][N+](=O)c4ccc(OC3OC(CO)C(O)C(OC2OC(CO)C(O)C(SC1OC(C(O)C(O)C1O)CO)C2O)C3O)cc4
InChi:	InChI=1S/C24H35NO17S/c26-5-10-13(29)16(32)17(33)24(41-10)43-21-15(31)12(7-28)40-23(19(21)35)42-20-14(30)11(6-27)39-22(18(20)34)38-9-3-1-8(2-4-9)25(36)37/h1-4,10-24,26-35H,5-7H2/t10-,11?,12-,13-,14?,15-,16+,17-,18?,19-,20?,21+,22?,23+,24+/m1/s1
Synonyms:	4'-NITROPHENYL-3I-THIOLAMINARITRIOSIDE
Definition date:	2001-06-04
Last modified:	2021-03-01
Identifier:	4-nitrophenyl beta-D-glucopyranosyl-(1->3)-3-thio-beta-D-glucopyranosyl-(1->3)hexopyranoside

LAQ

LAQ
Name:	5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE
Formula:	C18 H26 N5 O8 P S2
SMILES:	O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OC(=O)CCCCC4SSCC4
InChi:	InChI=1S/C18H26N5O8PS2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)4-2-1-3-10-5-6-33-34-10/h8-11,14-15,18,25-26H,1-7H2,(H,27,28)(H2,19,20,21)/t10-,11-,14-,15-,18-/m1/s1
Synonyms:	LIPOYL-AMP
Definition date:	2006-12-27
Last modified:	2021-03-01
Identifier:	5'-O-[(R)-({5-[(3R)-1,2-dithiolan-3-yl]pentanoyl}oxy)(hydroxy)phosphoryl]adenosine

LAZ

LAZ
Name:	N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE
Formula:	C9 H10 Cl N O2
SMILES:	O=C(c1ccc(Cl)cc1)NCCO
InChi:	InChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,12H,5-6H2,(H,11,13)
Synonyms:	4-CHLORO-N-(2-HYDROXYETHYL)BENZAMIDE
Definition date:	2003-07-08
Last modified:	2021-03-01
Identifier:	4-chloro-N-(2-hydroxyethyl)benzamide

LC2

LC2
Name:	N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide
Formula:	C25 H33 N O7
SMILES:	O=C(C(=O)NC2C=C(C=CC(O)CC=C(C=CC(O)CC1OC(=O)C2(C(=O)C1C)C)C)C)C
InChi:	InChI=1S/C25H33NO7/c1-14-6-9-18(28)10-8-15(2)12-21(26-23(31)17(4)27)25(5)22(30)16(3)20(33-24(25)32)13-19(29)11-7-14/h6-8,10-12,16,18-21,28-29H,9,13H2,1-5H3,(H,26,31)/b10-8+,11-7+,14-6+,15-12+/t16-,18+,19-,20-,21-,25+/m1/s1
Synonyms:	Lankacidin C
Definition date:	2009-09-09
Last modified:	2021-03-01
Identifier:	N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide

8BD

8BD
Name:	3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid
Formula:	C11 H13 N O4
SMILES:	O=C(O)CCON=C/c1ccccc1OC
InChi:	InChI=1S/C11H13NO4/c1-15-10-5-3-2-4-9(10)8-12-16-7-6-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)/b12-8-
Synonyms:	(E)-3-(2-methoxybenzylideneaminooxy)propanoic acid
Definition date:	2009-04-06
Last modified:	2021-03-01
Identifier:	3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid

LCL

LCL
Name:	2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
Formula:	C11 H12 Cl2 N2 O5
SMILES:	O=[N+]([O-])c1ccc(cc1)C(O)C(NC(=O)C(Cl)Cl)CO
InChi:	InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m0/s1
Synonyms:	L-Chloramphenicol
Definition date:	2012-08-16
Last modified:	2021-03-01
Release date:	2013-05-08
Identifier:	2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide

LCM

LCM
Name:	N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)
Formula:	C18 H20 N2 O6
SMILES:	O=C(c1cccc(O)c1O)NCCCCNC(=O)c2cccc(O)c2O
InChi:	InChI=1S/C18H20N2O6/c21-13-7-3-5-11(15(13)23)17(25)19-9-1-2-10-20-18(26)12-6-4-8-14(22)16(12)24/h3-8,21-24H,1-2,9-10H2,(H,19,25)(H,20,26)
Synonyms:	4-LICAM
Definition date:	2013-01-22
Last modified:	2021-03-01
Release date:	2013-04-03
Identifier:	N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)

LDB

LDB
Name:	4-Thiouracil
Formula:	C4 H4 N2 O S
SMILES:	O=C1NC=CC(=S)N1
InChi:	InChI=1S/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8)
Synonyms:	4-sulfanylidene-1~{H}-pyrimidin-2-one
Definition date:	2019-08-05
Last modified:	2021-03-01
Release date:	2020-02-05
Identifier:	4-sulfanylidene-1~{H}-pyrimidin-2-one

LDE

LDE
Name:	(2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid
Formula:	C11 H22 N O6 P
SMILES:	O=P(O)(CC(C(=O)O)CCC(=O)O)C(N)CC(C)C
InChi:	InChI=1S/C11H22NO6P/c1-7(2)5-9(12)19(17,18)6-8(11(15)16)3-4-10(13)14/h7-9H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9+/m0/s1
Synonyms:	L-LEU-D-GLU PHOSPHINATE PSEUDODIPEPTIDE
Definition date:	2011-05-18
Last modified:	2021-03-01
Identifier:	(2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid

8CM

8CM
Name:	8-HYDROXYCOUMARIN
Formula:	C9 H6 O3
SMILES:	O=C2Oc1c(O)cccc1C=C2
InChi:	InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H
Synonyms:	8-HYDROXY-2H-CHROMENE-2-ONE
Definition date:	2006-06-12
Last modified:	2021-03-01
Identifier:	8-hydroxy-2H-chromen-2-one

LDT

LDT
Name:	IDD594
Formula:	C16 H12 Br F2 N O3 S
SMILES:	Brc1cc(F)c(cc1)CNC(=S)c2ccc(F)cc2OCC(=O)O
InChi:	InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22)
Synonyms:	[2-(4-BROMO-2-FLUORO-BENZYLTHIOCARBAMOYL)-5-FLUORO-PHENOXY]-ACETIC ACID
Definition date:	2003-11-16
Last modified:	2021-03-01
Identifier:	{2-[(4-bromo-2-fluorobenzyl)carbamothioyl]-5-fluorophenoxy}acetic acid

LFA

LFA
Name:	EICOSANE
Formula:	C20 H42
SMILES:	C(CCCCCCCCCCCCCCCCC)CC
InChi:	InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
Synonyms:	LIPID FRAGMENT
Definition date:	2003-11-19
Last modified:	2021-03-01
Identifier:	icosane

LFX

LFX
Name:	(3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
Formula:	C18 H20 F N3 O4
SMILES:	O=C(O)C=1C(=O)c4c2N(C=1)C(COc2c(N3CCN(C)CC3)c(F)c4)C
InChi:	InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1
Synonyms:	Levofloxacin
Definition date:	2009-10-20
Last modified:	2021-03-01
Identifier:	(3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

LG5

LG5
Name:	1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE
Formula:	C6 H10 N2
SMILES:	NC=1C=CCN(C=1)C
InChi:	InChI=1S/C6H10N2/c1-8-4-2-3-6(7)5-8/h2-3,5H,4,7H2,1H3
Synonyms:	1-METHYL-1-LAMBDA-5-PYRIDIN-3-YL-AMINE
Definition date:	2005-11-10
Last modified:	2021-03-01
Identifier:	1-methyl-1,6-dihydropyridin-3-amine

LG9

LG9
Name:	(1R,2R,3R,6R,7R,7AR)-3,7-BIS(HYDROXYMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,6-TRIOL
Formula:	C9 H17 N O5
SMILES:	OC2C(C1N(C(C(O)C1O)CO)C2)CO
InChi:	InChI=1S/C9H17NO5/c11-2-4-6(13)1-10-5(3-12)8(14)9(15)7(4)10/h4-9,11-15H,1-3H2/t4-,5-,6+,7-,8-,9-/m1/s1
Synonyms:	CASUARINE ANALOGUE
Definition date:	2009-11-17
Last modified:	2021-03-01
Identifier:	(1R,2R,3R,6R,7R,7aR)-3,7-bis(hydroxymethyl)hexahydro-1H-pyrrolizine-1,2,6-triol

LGN

LGN
Name:	N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
Formula:	C62 H117 N O18
SMILES:	O=C(NC(COC3OC(C(OC2OC(CO)C(O)C(OC1OC(CO)C(O)C(O)C1O)C2O)C(O)C3O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)54(72)58(49(43-66)79-60)80-62-57(75)59(52(70)48(42-65)78-62)81-61-55(73)53(71)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+/t45-,46+,47+,48+,49+,51-,52-,53-,54+,55+,56+,57+,58+,59-,60+,61+,62-/m0/s1
Synonyms:	Isoglobotrihexosylceramide
Definition date:	2011-05-13
Last modified:	2021-03-01
Identifier:	N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide

8GM

8GM
Name:	[(2R,3S,4R,5R)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H14 N5 O9 P
SMILES:	NC1=NC2=C(NC(=O)N2[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)C(=O)N1
InChi:	InChI=1S/C10H14N5O9P/c11-9-13-6-3(7(18)14-9)12-10(19)15(6)8-5(17)4(16)2(24-8)1-23-25(20,21)22/h2,4-5,8,16-17H,1H2,(H,12,19)(H2,20,21,22)(H3,11,13,14,18)/t2-,4-,5-,8-/m1/s1
Synonyms:	8-oxoguanosine-5'-phosphate
Definition date:	2016-06-17
Last modified:	2021-03-01
Release date:	2017-04-19
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

LHP

LHP
Name:	(3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid
Formula:	C27 H44 O4
SMILES:	O=C(O)CCC(C4C3(C(C2C(C1(CCC(OC(=O)CC)CC1CC2)C)CC3)CC4)C)C
InChi:	InChI=1S/C27H44O4/c1-5-25(30)31-19-12-14-26(3)18(16-19)7-8-20-22-10-9-21(17(2)6-11-24(28)29)27(22,4)15-13-23(20)26/h17-23H,5-16H2,1-4H3,(H,28,29)/t17-,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1
Synonyms:	Lithocholic acid propionate
Definition date:	2013-02-08
Last modified:	2021-03-01
Release date:	2013-06-26
Identifier:	(3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid

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