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V2N

V2N
Name:	4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
Formula:	C16 H14 N2 O2
SMILES:	COc1ccc2nc(C)n(c3ccc(C=O)cc3)c2c1
InChi:	InChI=1S/C16H14N2O2/c1-11-17-15-8-7-14(20-2)9-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde

NEF

NEF
Name:	Nitrocefin - open form
Formula:	C21 H18 N4 O9 S2
SMILES:	OC(=O)[CH](NC(=O)Cc1sccc1)[CH]2NC(=C(CS2)C=Cc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C(O)=O
InChi:	InChI=1S/C21H18N4O9S2/c26-16(9-14-2-1-7-35-14)22-18(21(29)30)19-23-17(20(27)28)12(10-36-19)4-3-11-5-6-13(24(31)32)8-15(11)25(33)34/h1-8,18-19,23H,9-10H2,(H,22,26)(H,27,28)(H,29,30)/b4-3+/t18-,19+/m0/s1
Synonyms:	(2R)-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Definition date:	2018-09-26
Last modified:	2024-09-27
Release date:	2019-10-23
Identifier:	(2~{R})-5-[(~{E})-2-(2,4-dinitrophenyl)ethenyl]-2-[(1~{R})-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid

SA6

SA6
Name:	(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde
Formula:	C15 H23 N O4
SMILES:	O=CC1(NC(=O)C(C1(O)C)CC)C(O)C2C=CCCC2
InChi:	InChI=1S/C15H23NO4/c1-3-11-13(19)16-15(9-17,14(11,2)20)12(18)10-7-5-4-6-8-10/h5,7,9-12,18,20H,3-4,6,8H2,1-2H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1
Definition date:	2010-04-20
Last modified:	2024-09-27
Identifier:	(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde

VX
Name:	O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP
Formula:	C3 H9 O3 P
SMILES:	O=P(O)(OCC)C
InChi:	InChI=1S/C3H9O3P/c1-3-6-7(2,4)5/h3H2,1-2H3,(H,4,5)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	ethyl hydrogen (S)-methylphosphonate

YCV

YCV
Name:	2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide
Formula:	C19 H19 N3 O4
SMILES:	COc1cc(cc(C=O)c1OCC(=O)N(C)C)c2cccc3[nH]ncc23
InChi:	InChI=1S/C19H19N3O4/c1-22(2)18(24)11-26-19-13(10-23)7-12(8-17(19)25-3)14-5-4-6-16-15(14)9-20-21-16/h4-10H,11H2,1-3H3,(H,20,21)
Definition date:	2021-02-22
Last modified:	2024-09-27
Release date:	2021-11-10
Identifier:	2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide

ZSL

ZSL
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3aR,5R,6R,6aR)-6-hydroxytetrahydro-2H-furo[2,3-d][1,3]oxathiol-5-yl]methyl dihydrogen diphosphate (non-preferred name)
Formula:	C16 H23 N5 O13 P2 S
SMILES:	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3SCOC3C2O)C(O)C1O
InChi:	InChI=1S/C16H23N5O13P2S/c17-13-8-14(19-3-18-13)21(4-20-8)15-11(24)9(22)6(32-15)1-30-35(25,26)34-36(27,28)31-2-7-10(23)12-16(33-7)37-5-29-12/h3-4,6-7,9-12,15-16,22-24H,1-2,5H2,(H,25,26)(H,27,28)(H2,17,18,19)/t6-,7-,9-,10-,11-,12-,15-,16-/m1/s1
Definition date:	2023-03-29
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3aR,5R,6R,6aR)-6-hydroxytetrahydro-2H-furo[2,3-d][1,3]oxathiol-5-yl]methyl dihydrogen diphosphate (non-preferred name)

XKN

XKN
Name:	3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride
Formula:	C30 H29 F N4 O4 S
SMILES:	COc1ccccc1Cn1cnc2cc(ccc12)C(=O)N1CCN(Cc2cc(cc(C#C)c2)S(F)(=O)=O)CC1C
InChi:	InChI=1S/C30H29FN4O4S/c1-4-22-13-23(15-26(14-22)40(31,37)38)18-33-11-12-35(21(2)17-33)30(36)24-9-10-28-27(16-24)32-20-34(28)19-25-7-5-6-8-29(25)39-3/h1,5-10,13-16,20-21H,11-12,17-19H2,2-3H3/t21-/m1/s1
Definition date:	2022-11-23
Last modified:	2024-09-27
Release date:	2023-05-31
Identifier:	3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride

UOX

UOX
Name:	3-(oxido-lambda~4~-selanyl)-L-alanine
Formula:	C3 H6 N O3 Se
SMILES:	O=C(O)C(N)C[SeH]=O
InChi:	InChI=1S/C3H6NO3Se/c4-2(1-8-7)3(5)6/h2H,1,4H2,(H,5,6)/q-1/t2-/m0/s1
Definition date:	2013-06-13
Last modified:	2024-09-27
Identifier:	3-(oxido-lambda~4~-selanyl)-L-alanine

NEH

NEH
Name:	ETHANAMINE
Formula:	C2 H7 N
SMILES:	NCC
InChi:	InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3
Definition date:	2005-03-17
Last modified:	2024-09-27
Identifier:	ethanamine

T3G

T3G
Name:	1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:	C12 H14 F2 N2 O3 S
SMILES:	N2(CCN(S(c1c(cccc1F)F)(=O)=O)CC2)C(=O)C
InChi:	InChI=1S/C12H14F2N2O3S/c1-9(17)15-5-7-16(8-6-15)20(18,19)12-10(13)3-2-4-11(12)14/h2-4H,5-8H2,1H3
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one

V2Q

V2Q
Name:	4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde
Formula:	C12 H13 N O3
SMILES:	COC1CN(C1)C(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C12H13NO3/c1-16-11-6-13(7-11)12(15)10-4-2-9(8-14)3-5-10/h2-5,8,11H,6-7H2,1H3
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde

ZA2

ZA2
Name:	[(2-CHLOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
Formula:	C8 H10 B Cl N O4
SMILES:	O[B-](O)(O)CNC(=O)c1ccccc1Cl
InChi:	InChI=1S/C8H10BClNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1
Synonyms:	2-CHLOROBENZAMIDOMETHYLBORONIC ACID
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(2-chlorophenyl)carbonylamino]methyl-trihydroxy-boron

NSF

NSF
Name:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
Formula:	C12 H15 I N4 O6
SMILES:	OC(=O)CN(C1COCC1N)C(=O)CN1C=C(I)C(=O)NC1=O
InChi:	InChI=1S/C12H15IN4O6/c13-6-1-16(12(22)15-11(6)21)2-9(18)17(3-10(19)20)8-5-23-4-7(8)14/h1,7-8H,2-5,14H2,(H,19,20)(H,15,21,22)/t7-,8-/m0/s1
Definition date:	2022-04-07
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine

4J2

4J2
Name:	(2R)-2-amino-3-(naphthalen-2-yl)propanoic acid
Formula:	C13 H13 N O2
SMILES:	NC(Cc1ccc2ccccc2c1)C(=O)O
InChi:	InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m1/s1
Definition date:	2015-09-17
Last modified:	2024-09-27
Release date:	2015-12-16
Identifier:	(2R)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name)

ZA3

ZA3
Name:	TRIHYDROXY-[[(2-NITROPHENYL)CARBONYLAMINO]METHYL]BORON
Formula:	C8 H10 B N2 O6
SMILES:	O[B-](O)(O)CNC(=O)c1ccccc1[N+]([O-])=O
InChi:	InChI=1S/C8H10BN2O6/c12-8(10-5-9(13,14)15)6-3-1-2-4-7(6)11(16)17/h1-4,13-15H,5H2,(H,10,12)/q-1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	trihydroxy-[[(2-nitrophenyl)carbonylamino]methyl]boron

ZSN

ZSN
Name:	1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid
Formula:	C3 H7 N3 O3
SMILES:	O=C(N)CN(N)C(=O)O
InChi:	InChI=1S/C3H7N3O3/c4-2(7)1-6(5)3(8)9/h1,5H2,(H2,4,7)(H,8,9)
Synonyms:	Aza-asparagine
Definition date:	2012-06-01
Last modified:	2024-09-27
Release date:	2013-06-26
Identifier:	1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid

LDO

LDO
Name:	6-HYDROXY-L-NORLEUCINE
Formula:	C6 H13 N O3
SMILES:	O=C(O)C(N)CCCCO
InChi:	InChI=1S/C6H13NO3/c7-5(6(9)10)3-1-2-4-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1
Definition date:	2001-09-11
Last modified:	2024-09-27
Identifier:	6-hydroxy-L-norleucine

ZA4

ZA4
Name:	[(2-FLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
Formula:	C8 H10 B F N O4
SMILES:	O[B-](O)(O)CNC(=O)c1ccccc1F
InChi:	InChI=1S/C8H10BFNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(2-fluorophenyl)carbonylamino]methyl-trihydroxy-boron

XKQ

XKQ
Name:	methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
Formula:	C24 H40 F2 N4 O6
SMILES:	CNC(=O)C(O)C(CCC(C)(F)F)NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC)C(C)(C)C
InChi:	InChI=1S/C24H40F2N4O6/c1-23(2,3)18(29-22(35)36-6)21(34)30-12-13-8-7-9-14(13)16(30)19(32)28-15(10-11-24(4,25)26)17(31)20(33)27-5/h13-18,31H,7-12H2,1-6H3,(H,27,33)(H,28,32)(H,29,35)/t13-,14-,15-,16-,17+,18+/m0/s1
Definition date:	2023-11-03
Last modified:	2024-09-27
Release date:	2024-03-06
Identifier:	methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name)

4J4

4J4
Name:	S-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-L-cysteine
Formula:	C18 H18 F2 N2 O3 S
SMILES:	NC(C(=O)O)CSCC(=O)NCc1ccc(cc1)c2c(F)cc(cc2)F
InChi:	InChI=1S/C18H18F2N2O3S/c19-13-5-6-14(15(20)7-13)12-3-1-11(2-4-12)8-22-17(23)10-26-9-16(21)18(24)25/h1-7,16H,8-10,21H2,(H,22,23)(H,24,25)/t16-/m0/s1
Definition date:	2015-09-17
Last modified:	2024-09-27
Release date:	2016-07-27
Identifier:	S-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-L-cysteine

T3J

T3J
Name:	1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one
Formula:	C12 H14 F N O2
SMILES:	c1(ccc(F)cc1)C2CN(C(C)=O)CCO2
InChi:	InChI=1S/C12H14FNO2/c1-9(15)14-6-7-16-12(8-14)10-2-4-11(13)5-3-10/h2-5,12H,6-8H2,1H3/t12-/m0/s1
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one

QP1

QP1
Name:	N-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1H-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide
Formula:	C27 H28 F N5 O3 S
SMILES:	c1c(ccc(c1)F)c4c(c3cc(Nc2cc(ccc2OC)NC(CC)=O)ncc3)nc(SCCOC)n4
InChi:	InChI=1S/C27H28FN5O3S/c1-4-24(34)30-20-9-10-22(36-3)21(16-20)31-23-15-18(11-12-29-23)26-25(17-5-7-19(28)8-6-17)32-27(33-26)37-14-13-35-2/h5-12,15-16H,4,13-14H2,1-3H3,(H,29,31)(H,30,34)(H,32,33)
Definition date:	2019-12-05
Last modified:	2024-09-27
Release date:	2020-04-22
Identifier:	N-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1H-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide

SAC

SAC
Name:	N-ACETYL-SERINE
Formula:	C5 H9 N O4
SMILES:	O=C(O)C(NC(=O)C)CO
InChi:	InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-acetyl-L-serine

ZA5

ZA5
Name:	[(2,6-DIFLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
Formula:	C8 H9 B F2 N O4
SMILES:	O[B-](O)(O)CNC(=O)c1c(F)cccc1F
InChi:	InChI=1S/C8H9BF2NO4/c10-5-2-1-3-6(11)7(5)8(13)12-4-9(14,15)16/h1-3,14-16H,4H2,(H,12,13)/q-1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(2,6-difluorophenyl)carbonylamino]methyl-trihydroxy-boron

V2T

V2T
Name:	4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide
Formula:	C12 H11 N3 O2
SMILES:	Cn1ccc(NC(=O)c2ccc(C=O)cc2)n1
InChi:	InChI=1S/C12H11N3O2/c1-15-7-6-11(14-15)13-12(17)10-4-2-9(8-16)3-5-10/h2-8H,1H3,(H,13,14,17)
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide

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