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Y0I

Y0I
Name:	(3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide
Formula:	C30 H28 N4 O2
SMILES:	CC(NC(=O)C(N(C(=O)CC=N)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1
InChi:	InChI=1S/C30H28N4O2/c1-22(23-9-4-2-5-10-23)33-30(36)29(26-13-8-20-32-21-26)34(28(35)18-19-31)27-16-14-25(15-17-27)24-11-6-3-7-12-24/h2-17,19-22,29,31H,18H2,1H3,(H,33,36)/t22-,29+/m0/s1
Definition date:	2022-12-19
Last modified:	2024-09-27
Release date:	2023-08-09
Identifier:	(3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide

ZBZ

ZBZ
Name:	S-(phenylcarbonyl)-L-cysteine
Formula:	C10 H11 N O3 S
SMILES:	O=C(O)C(N)CSC(=O)c1ccccc1
InChi:	InChI=1S/C10H11NO3S/c11-8(9(12)13)6-15-10(14)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2010-02-09
Last modified:	2024-09-27
Identifier:	S-benzoyl-L-cysteine

VXT

VXT
Name:	2-(hydroxymethyl)-1-[6-[4-[[3-[[3-[6-[(2~{S},3~{R},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-1-yl]hexyl]-1,2,3-triazol-4-yl]methoxy]-2,2-bis[[1-[6-[2-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-1-yl]hexyl]-1,2,3-triazol-4-yl]methoxymethyl]propoxy]methyl]-1,2,3-triazol-1-yl]hexyl]pyrrolidine-3,4-diol
Formula:	C61 H108 N16 O16
SMILES:	OCC1C(O)C(O)CN1CCCCCCn2cc(COCC(COCc3cn(CCCCCCN4CC(O)C(O)C4CO)nn3)(COCc5cn(CCCCCCN6CC(O)C(O)C6CO)nn5)COCc7cnnn7CCCCCCN8C[CH](O)[CH](O)[CH]8CO)nn2
InChi:	InChI=1S/C61H108N16O16/c78-33-49-57(86)53(82)29-70(49)17-9-1-5-13-21-74-26-45(63-67-74)37-90-41-61(42-91-38-46-27-75(68-64-46)22-14-6-2-10-18-71-30-54(83)58(87)50(71)34-79,43-92-39-47-28-76(69-65-47)23-15-7-3-11-19-72-31-55(84)59(88)51(72)35-80)44-93-40-48-25-62-66-77(48)24-16-8-4-12-20-73-32-56(85)60(89)52(73)36-81/h25-28,49-60,78-89H,1-24,29-44H2/t49?,50?,51?,52-,53?,54?,55?,56-,57?,58?,59?,60+,61?/m0/s1
Definition date:	2023-09-20
Last modified:	2024-09-27
Release date:	2024-10-02
Identifier:	2-(hydroxymethyl)-1-[6-[4-[[3-[[3-[6-[(2~{S},3~{R},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-1-yl]hexyl]-1,2,3-triazol-4-yl]methoxy]-2,2-bis[[1-[6-[2-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-1-yl]hexyl]-1,2,3-triazol-4-yl]methoxymethyl]propoxy]methyl]-1,2,3-triazol-1-yl]hexyl]pyrrolidine-3,4-diol

UQ0

UQ0
Name:	2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE
Formula:	C9 H10 O4
SMILES:	O=C1C=C(C(=O)C(OC)=C1OC)C
InChi:	InChI=1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3
Definition date:	2011-11-26
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione

VJ8

VJ8
Name:	edaGDP
Formula:	C16 H25 N7 O13 P2
SMILES:	CCC(=O)NCCNC(=O)O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)N
InChi:	InChI=1S/C16H25N7O13P2/c1-2-8(24)18-3-4-19-16(27)35-11-7(5-33-38(31,32)36-37(28,29)30)34-14(10(11)25)23-6-20-9-12(23)21-15(17)22-13(9)26/h6-7,10-11,14,25H,2-5H2,1H3,(H,18,24)(H,19,27)(H,31,32)(H2,28,29,30)(H3,17,21,22,26)/t7-,10-,11-,14-/m1/s1
Synonyms:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] ~{N}-[2-(propanoylamino)ethyl]carbamate
Definition date:	2021-05-18
Last modified:	2024-09-27
Release date:	2022-08-03
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] ~{N}-[2-(propanoylamino)ethyl]carbamate

OOG

OOG
Name:	2-OXOADIPIC ACID
Formula:	C6 H8 O5
SMILES:	O=C(C(=O)O)CCCC(=O)O
InChi:	InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
Definition date:	2015-01-21
Last modified:	2024-09-27
Release date:	2015-01-28
Identifier:	2-oxohexanedioic acid

NTJ

NTJ
Name:	R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE
Formula:	C4 H12 N O2 P
SMILES:	O=P(OCC)N(C)C
InChi:	InChI=1S/C4H12NO2P/c1-4-7-8(6)5(2)3/h8H,4H2,1-3H3
Definition date:	2005-09-07
Last modified:	2024-09-27
Identifier:	ethyl (S)-N,N-dimethylphosphonamidoate

WSR

WSR
Name:	(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name)
Formula:	C25 H41 F O5 S
SMILES:	FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OS(=O)(=O)O
InChi:	InChI=1S/C25H41FO5S/c1-16(4-6-18(27)15-26)21-8-9-22-20-7-5-17-14-19(31-32(28,29)30)10-12-24(17,2)23(20)11-13-25(21,22)3/h16-17,19-23H,4-15H2,1-3H3,(H,28,29,30)/t16-,17-,19-,20+,21-,22+,23+,24+,25-/m1/s1
Definition date:	2022-10-17
Last modified:	2024-09-27
Release date:	2023-11-01
Identifier:	(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name)

KLF

KLF
Name:	(2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide
Formula:	C5 H10 N2 O2
SMILES:	NC(=O)[CH]1C[CH](O)CN1
InChi:	InChI=1S/C5H10N2O2/c6-5(9)4-1-3(8)2-7-4/h3-4,7-8H,1-2H2,(H2,6,9)/t3-,4+/m1/s1
Definition date:	2022-09-27
Last modified:	2024-09-27
Release date:	2022-10-19
Identifier:	(2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide

UQ1

UQ1
Name:	UBIQUINONE-1
Formula:	C14 H18 O4
SMILES:	O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)C
InChi:	InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

YE3

YE3
Name:	(8M)-8-(2-{[2-(fluorosulfonyl)ethyl]amino}phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Formula:	C18 H15 F N2 O5 S
SMILES:	FS(=O)(=O)CCNc1ccccc1c1cccc2c1NC=C(C2=O)C(=O)O
InChi:	InChI=1S/C18H15FN2O5S/c19-27(25,26)9-8-20-15-7-2-1-4-11(15)12-5-3-6-13-16(12)21-10-14(17(13)22)18(23)24/h1-7,10,20H,8-9H2,(H,21,22)(H,23,24)
Definition date:	2023-12-01
Last modified:	2024-09-27
Release date:	2024-09-25
Identifier:	(8M)-8-(2-{[2-(fluorosulfonyl)ethyl]amino}phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

VJA

VJA
Name:	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:	C26 H40 N4 O6
SMILES:	c1ccc(cc1)COC(NC(C(C)C)C(=O)NC(C(NC(CO)CC2C(=O)NCC2)=O)CC(C)C)=O
InChi:	InChI=1S/C26H40N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,16-17,19-22,31H,10-15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20+,21-,22-/m0/s1
Definition date:	2020-08-14
Last modified:	2024-09-27
Release date:	2021-10-13
Identifier:	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

XLX

XLX
Name:	4,4'-(ethylenediimino)bis[4-oxobutyrate]
Formula:	C11 H18 N2 O6
SMILES:	O=C(NCCNC(=O)CCC(=O)O)CCCC(=O)O
InChi:	InChI=1S/C11H18N2O6/c14-8(2-1-3-10(16)17)12-6-7-13-9(15)4-5-11(18)19/h1-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)
Synonyms:	1,2-bis(maleimido)ethane, hydrolyzed open form
Definition date:	2012-08-06
Last modified:	2024-09-27
Identifier:	5-({2-[(3-carboxypropanoyl)amino]ethyl}amino)-5-oxopentanoic acid

VJB

VJB
Name:	bdaGDP
Formula:	C18 H29 N7 O13 P2
SMILES:	CCC(=O)NCCCCNC(=O)O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)N=C(N)Nc23
InChi:	InChI=1S/C18H29N7O13P2/c1-2-10(26)20-5-3-4-6-21-18(29)37-13-9(7-35-40(33,34)38-39(30,31)32)36-16(12(13)27)25-8-22-11-14(25)23-17(19)24-15(11)28/h8-9,12-13,16,27H,2-7H2,1H3,(H,20,26)(H,21,29)(H,33,34)(H2,30,31,32)(H3,19,23,24,28)/t9-,12-,13-,16-/m1/s1
Synonyms:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] ~{N}-[4-(propanoylamino)butyl]carbamate
Definition date:	2021-05-18
Last modified:	2024-09-27
Release date:	2022-08-03
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] ~{N}-[4-(propanoylamino)butyl]carbamate

Y0M

Y0M
Name:	8-[fluoro(dihydroxy)-lambda~4~-sulfanyl]-N-(2-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide
Formula:	C14 H13 F N2 O7 S2
SMILES:	COc1ncccc1NS(=O)(=O)c1ccc(c2OCCOc12)S(F)(=O)=O
InChi:	InChI=1S/C14H13FN2O7S2/c1-22-14-9(3-2-6-16-14)17-26(20,21)11-5-4-10(25(15,18)19)12-13(11)24-8-7-23-12/h2-6,17H,7-8H2,1H3
Definition date:	2022-12-20
Last modified:	2024-09-27
Release date:	2023-12-06
Identifier:	8-[(2-methoxypyridin-3-yl)sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonyl fluoride

SQI

SQI
Name:	hexadecan-1-amine
Formula:	C16 H35 N
SMILES:	CCCCCCCCCCCCCCCCN
InChi:	InChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3
Definition date:	2022-07-07
Last modified:	2024-09-27
Release date:	2022-12-07
Identifier:	hexadecan-1-amine

NTN

NTN
Name:	ISONICOTINAMIDINE
Formula:	C6 H7 N3
SMILES:	[N@H]=C(N)c1ccncc1
InChi:	InChI=1S/C6H7N3/c7-6(8)5-1-3-9-4-2-5/h1-4H,(H3,7,8)
Definition date:	2001-04-16
Last modified:	2024-09-27
Identifier:	pyridine-4-carboximidamide

UQ4

UQ4
Name:	N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine
Formula:	C9 H8 N4 O5
SMILES:	C(=O)(CCNc1c2c(c(cc1)N(=O)=O)non2)O
InChi:	InChI=1S/C9H8N4O5/c14-7(15)3-4-10-5-1-2-6(13(16)17)9-8(5)11-18-12-9/h1-2,10H,3-4H2,(H,14,15)
Definition date:	2020-05-27
Last modified:	2024-09-27
Release date:	2020-06-03
Identifier:	N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine

ZCI

ZCI
Name:	2-bromo-1H-imidazole
Formula:	C3 H3 Br N2
SMILES:	Brc1ncc[NH]1
InChi:	InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
Definition date:	2023-06-23
Last modified:	2024-09-27
Release date:	2023-07-12
Identifier:	2-bromo-1H-imidazole

OOL

OOL
Name:	(E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine
Formula:	C7 H9 N3 O2
SMILES:	N=Cc1nc(OC)cc(OC)n1
InChi:	InChI=1S/C7H9N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3-4,8H,1-2H3/b8-4+
Definition date:	2023-08-17
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	(E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine

O95

O95
Name:	{(4S)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone
Formula:	C17 H17 F3 N4 O3 S
SMILES:	FC(F)(F)c1cc2nc(sc2c(c1C)NO)C4=NC(C(=O)N3CCCC3)CO4
InChi:	InChI=1S/C17H17F3N4O3S/c1-8-9(17(18,19)20)6-10-13(12(8)23-26)28-15(22-10)14-21-11(7-27-14)16(25)24-4-2-3-5-24/h6,11,23,26H,2-5,7H2,1H3/t11-/m0/s1
Definition date:	2014-04-04
Last modified:	2024-09-27
Release date:	2015-10-28
Identifier:	{(4S)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone

MME

MME
Name:	N-METHYL METHIONINE
Formula:	C6 H13 N O2 S
SMILES:	O=C(O)C(NC)CCSC
InChi:	InChI=1S/C6H13NO2S/c1-7-5(6(8)9)3-4-10-2/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
Definition date:	1999-10-14
Last modified:	2024-09-27
Identifier:	N-methyl-L-methionine

T4M

T4M
Name:	N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide
Formula:	C14 H15 N O
SMILES:	c1(cccc2c1cccc2)C(NC(=O)C)C
InChi:	InChI=1S/C14H15NO/c1-10(15-11(2)16)13-9-5-7-12-6-3-4-8-14(12)13/h3-10H,1-2H3,(H,15,16)/t10-/m1/s1
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide

ZCL

ZCL
Name:	3,4-dichloro-L-phenylalanine
Formula:	C9 H9 Cl2 N O2
SMILES:	Clc1ccc(cc1Cl)CC(C(=O)O)N
InChi:	InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
Definition date:	2010-12-29
Last modified:	2024-09-27
Identifier:	3,4-dichloro-L-phenylalanine

Y0P

Y0P
Name:	8-[bis(oxidanyl)-$l^{3}-sulfanyl]-~{N}-(3-fluoranyl-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide
Formula:	C15 H13 F2 N O7 S2
SMILES:	Fc1cc(cc(OC)c1)NS(=O)(=O)c1ccc(c2OCCOc12)S(F)(=O)=O
InChi:	InChI=1S/C15H13F2NO7S2/c1-23-11-7-9(16)6-10(8-11)18-27(21,22)13-3-2-12(26(17,19)20)14-15(13)25-5-4-24-14/h2-3,6-8,18H,4-5H2,1H3
Definition date:	2022-12-20
Last modified:	2024-09-27
Release date:	2023-12-06
Identifier:	8-[(3-fluoro-5-methoxyphenyl)sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonyl fluoride

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