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Q5Y

Q5Y
Name:	N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine
Formula:	C26 H24 N2 O8 S2
SMILES:	O(C)c4ccc(S(=O)(=O)N(c1c3c(c(cc1)NS(=O)(=O)c2ccc(cc2)OC)cccc3)CC(O)=O)cc4
InChi:	InChI=1S/C26H24N2O8S2/c1-35-18-7-11-20(12-8-18)37(31,32)27-24-15-16-25(23-6-4-3-5-22(23)24)28(17-26(29)30)38(33,34)21-13-9-19(36-2)10-14-21/h3-16,27H,17H2,1-2H3,(H,29,30)
Definition date:	2019-09-24
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine

Q61

Q61
Name:	guanosine-5'-monophosphate-2',3'-vanadate
Formula:	C10 H12 N5 O10 P V
SMILES:	C3(n2c1N=C(N)NC(c1nc2)=O)OC(C4C3O[V](=O)(O)O4)COP(=O)(O)O
InChi:	InChI=1S/C10H12N5O8P.H2O.O.V/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21
Definition date:	2019-09-24
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	[5'-guanylato(2-)-kappa~2~O~2'~,O~3'~](hydroxy)oxovanadium

Q71

Q71
Name:	7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Formula:	C7 H5 F N2 O3 S
SMILES:	c1(F)cc2c(cc1)NC(NS2(=O)=O)=O
InChi:	InChI=1S/C7H5FN2O3S/c8-4-1-2-5-6(3-4)14(12,13)10-7(11)9-5/h1-3H,(H2,9,10,11)
Definition date:	2019-09-27
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

Q77

Q77
Name:	5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Formula:	C9 H10 N2 O3 S
SMILES:	Cc1cc2c(c(C)c1)NC(NS2(=O)=O)=O
InChi:	InChI=1S/C9H10N2O3S/c1-5-3-6(2)8-7(4-5)15(13,14)11-9(12)10-8/h3-4H,1-2H3,(H2,10,11,12)
Definition date:	2019-09-27
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

Q7A

Q7A
Name:	5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Formula:	C7 H5 Cl N2 O3 S
SMILES:	O=C2NS(=O)(=O)c1c(c(ccc1)Cl)N2
InChi:	InChI=1S/C7H5ClN2O3S/c8-4-2-1-3-5-6(4)9-7(11)10-14(5,12)13/h1-3H,(H2,9,10,11)
Definition date:	2019-09-27
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

J2G

J2G
Name:	4-methoxy-3-{[2-(piperidin-1-yl)-4-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid
Formula:	C20 H21 F3 N2 O5 S
SMILES:	COc1ccc(cc1S(Nc2c(cc(cc2)C(F)(F)F)N3CCCCC3)(=O)=O)C(O)=O
InChi:	InChI=1S/C20H21F3N2O5S/c1-30-17-8-5-13(19(26)27)11-18(17)31(28,29)24-15-7-6-14(20(21,22)23)12-16(15)25-9-3-2-4-10-25/h5-8,11-12,24H,2-4,9-10H2,1H3,(H,26,27)
Definition date:	2018-08-03
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	4-methoxy-3-{[2-(piperidin-1-yl)-4-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid

J4Y

J4Y
Name:	(1S,2S)-N'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
Formula:	C12 H13 Cl N2 O2
SMILES:	N(NC(=O)C1C(C1)c2ccccc2)C(CCl)=O
InChi:	InChI=1S/C12H13ClN2O2/c13-7-11(16)14-15-12(17)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,16)(H,15,17)/t9-,10+/m1/s1
Definition date:	2018-08-13
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	(1S,2S)-N'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide

J51

J51
Name:	benzyl acetylcarbamate
Formula:	C10 H11 N O3
SMILES:	N(C(OCc1ccccc1)=O)C(C)=O
InChi:	InChI=1S/C10H11NO3/c1-8(12)11-10(13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13)
Definition date:	2018-08-13
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	benzyl acetylcarbamate

J5A

J5A
Name:	N-[(4-bromothiophen-2-yl)methyl]acetamide
Formula:	C7 H8 Br N O S
SMILES:	CC(=O)NCc1cc(cs1)Br
InChi:	InChI=1S/C7H8BrNOS/c1-5(10)9-3-7-2-6(8)4-11-7/h2,4H,3H2,1H3,(H,9,10)
Definition date:	2018-08-13
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	N-[(4-bromothiophen-2-yl)methyl]acetamide

J5D

J5D
Name:	N-[(4-fluoro-3-methylphenyl)methyl]acetamide
Formula:	C10 H12 F N O
SMILES:	CC(=O)NCc1cc(c(cc1)F)C
InChi:	InChI=1S/C10H12FNO/c1-7-5-9(3-4-10(7)11)6-12-8(2)13/h3-5H,6H2,1-2H3,(H,12,13)
Definition date:	2018-08-13
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	N-[(4-fluoro-3-methylphenyl)methyl]acetamide

J5G

J5G
Name:	N-(5-methyl-1,2-oxazol-3-yl)acetamide
Formula:	C6 H8 N2 O2
SMILES:	c1(C)onc(NC(=O)C)c1
InChi:	InChI=1S/C6H8N2O2/c1-4-3-6(8-10-4)7-5(2)9/h3H,1-2H3,(H,7,8,9)
Definition date:	2018-08-13
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	N-(5-methyl-1,2-oxazol-3-yl)acetamide

J5J

J5J
Name:	N-[(E)-(3-methylphenyl)methylidene]acetamide
Formula:	C10 H11 N O
SMILES:	CC(=O)N=[C@H]c1cc(ccc1)C
InChi:	InChI=1S/C10H11NO/c1-8-4-3-5-10(6-8)7-11-9(2)12/h3-7H,1-2H3/b11-7+
Definition date:	2018-08-13
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	N-[(E)-(3-methylphenyl)methylidene]acetamide

J5M

J5M
Name:	N-{3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-yl}acetamide
Formula:	C12 H10 F3 N O
SMILES:	CC(=O)NCC#Cc1cccc(C(F)(F)F)c1
InChi:	InChI=1S/C12H10F3NO/c1-9(17)16-7-3-5-10-4-2-6-11(8-10)12(13,14)15/h2,4,6,8H,7H2,1H3,(H,16,17)
Definition date:	2018-08-13
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	N-{3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-yl}acetamide

J5P

J5P
Name:	N'-acetyl-2-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide
Formula:	C8 H14 N2 O4 S
SMILES:	CC(=O)NNC(=O)CC1CCS(=O)(=O)C1
InChi:	InChI=1S/C8H14N2O4S/c1-6(11)9-10-8(12)4-7-2-3-15(13,14)5-7/h7H,2-5H2,1H3,(H,9,11)(H,10,12)/t7-/m0/s1
Definition date:	2018-08-13
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	N'-acetyl-2-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide

J5S

J5S
Name:	N-[(E)-(4-methylphenyl)methylidene]acetamide
Formula:	C10 H11 N O
SMILES:	c1c(C=NC(=O)C)ccc(c1)C
InChi:	InChI=1S/C10H11NO/c1-8-3-5-10(6-4-8)7-11-9(2)12/h3-7H,1-2H3/b11-7+
Definition date:	2018-08-13
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	N-[(E)-(4-methylphenyl)methylidene]acetamide

J5V

J5V
Name:	N-(3-phenylprop-2-yn-1-yl)acetamide
Formula:	C11 H11 N O
SMILES:	C(c1ccccc1)#CCNC(=O)C
InChi:	InChI=1S/C11H11NO/c1-10(13)12-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,9H2,1H3,(H,12,13)
Definition date:	2018-08-13
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	N-(3-phenylprop-2-yn-1-yl)acetamide

J61

J61
Name:	N'-acetyl-2-chlorobenzohydrazide
Formula:	C9 H9 Cl N2 O2
SMILES:	N(C(c1ccccc1Cl)=O)NC(=O)C
InChi:	InChI=1S/C9H9ClN2O2/c1-6(13)11-12-9(14)7-4-2-3-5-8(7)10/h2-5H,1H3,(H,11,13)(H,12,14)
Definition date:	2018-08-13
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	N'-acetyl-2-chlorobenzohydrazide

J64

J64
Name:	N-[(5-chlorothiophen-2-yl)methyl]acetamide
Formula:	C7 H8 Cl N O S
SMILES:	N(Cc1ccc(Cl)s1)C(C)=O
InChi:	InChI=1S/C7H8ClNOS/c1-5(10)9-4-6-2-3-7(8)11-6/h2-3H,4H2,1H3,(H,9,10)
Definition date:	2018-08-13
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	N-[(5-chlorothiophen-2-yl)methyl]acetamide

BQX

BQX
Name:	1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea
Formula:	C19 H30 N10 O4 S2
SMILES:	Nc1ncnc2n(CCCCN[S](=O)(=O)NC(=O)NCCCC[CH]3SC[CH]4NC(=O)N[CH]34)cnc12
InChi:	InChI=1S/C19H30N10O4S2/c20-16-15-17(23-10-22-16)29(11-24-15)8-4-3-7-25-35(32,33)28-18(30)21-6-2-1-5-13-14-12(9-34-13)26-19(31)27-14/h10-14,25H,1-9H2,(H2,20,22,23)(H2,21,28,30)(H2,26,27,31)/t12-,13-,14-/m0/s1
Definition date:	2018-12-17
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea

DZR

DZR
Name:	~{N}-[[1-[2-(~{tert}-butylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3-chloranyl-5-fluoranyl-benzamide
Formula:	C19 H27 Cl F N3 O2
SMILES:	CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)c2cc(F)cc(Cl)c2
InChi:	InChI=1S/C19H27ClFN3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)
Definition date:	2019-09-26
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	~{N}-[[1-[2-(~{tert}-butylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3-chloranyl-5-fluoranyl-benzamide

E5U

E5U
Name:	2-methoxypropanedioic acid
Formula:	C4 H6 O5
SMILES:	COC(C(O)=O)C(O)=O
InChi:	InChI=1S/C4H6O5/c1-9-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
Definition date:	2019-10-23
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	2-methoxypropanedioic acid

EA3

EA3
Name:	4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
Formula:	C15 H21 Cl N2 O4 S2
SMILES:	N[S](=O)(=O)c1cc(C(=O)NCCO)c(SC2CCCCC2)cc1Cl
InChi:	InChI=1S/C15H21ClN2O4S2/c16-12-9-13(23-10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)24(17,21)22/h8-10,19H,1-7H2,(H,18,20)(H2,17,21,22)
Definition date:	2019-03-27
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide

4I7

4I7
Name:	(4~{a}~{S},8~{a}~{R})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
Formula:	C34 H32 F3 N5 O3 S
SMILES:	COc1ccc(cc1OCc2ccccc2C(F)(F)F)C3=NN(C4CCN(CC4)c5ncnc6ccsc56)C(=O)[CH]7CC=CC[CH]37
InChi:	InChI=1S/C34H32F3N5O3S/c1-44-28-11-10-21(18-29(28)45-19-22-6-2-5-9-26(22)34(35,36)37)30-24-7-3-4-8-25(24)33(43)42(40-30)23-12-15-41(16-13-23)32-31-27(14-17-46-31)38-20-39-32/h2-6,9-11,14,17-18,20,23-25H,7-8,12-13,15-16,19H2,1H3/t24-,25+/m0/s1
Definition date:	2018-11-29
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	(4~{a}~{S},8~{a}~{R})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one

G5H

G5H
Name:	5'-O-(N-(L-aspartyl)-sulfamoyl)uridine
Formula:	C13 H18 N4 O11 S
SMILES:	N[CH](CC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
InChi:	InChI=1S/C13H18N4O11S/c14-5(3-8(19)20)11(23)16-29(25,26)27-4-6-9(21)10(22)12(28-6)17-2-1-7(18)15-13(17)24/h1-2,5-6,9-10,12,21-22H,3-4,14H2,(H,16,23)(H,19,20)(H,15,18,24)/t5-,6+,9+,10+,12+/m0/s1
Definition date:	2018-08-29
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	(3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid

G5N

G5N
Name:	5'-O-(N-(L-aspartyl)-sulfamoyl)cytidine
Formula:	C13 H19 N5 O10 S
SMILES:	N[CH](CC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N
InChi:	InChI=1S/C13H19N5O10S/c14-5(3-8(19)20)11(23)17-29(25,26)27-4-6-9(21)10(22)12(28-6)18-2-1-7(15)16-13(18)24/h1-2,5-6,9-10,12,21-22H,3-4,14H2,(H,17,23)(H,19,20)(H2,15,16,24)/t5-,6+,9+,10+,12+/m0/s1
Definition date:	2018-08-29
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	(3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid

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