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WNF

WNF
Name:	(1S,2R)-2-[(3-methylphenoxy)methyl]cyclohexane-1-carboxylic acid
Formula:	C15 H20 O3
SMILES:	O=C(O)C1CCCCC1COc1cc(C)ccc1
InChi:	InChI=1S/C15H20O3/c1-11-5-4-7-13(9-11)18-10-12-6-2-3-8-14(12)15(16)17/h4-5,7,9,12,14H,2-3,6,8,10H2,1H3,(H,16,17)/t12-,14-/m0/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1S,2R)-2-[(3-methylphenoxy)methyl]cyclohexane-1-carboxylic acid

UKN

UKN
Name:	(4-chlorophenyl)methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
Formula:	C12 H8 Cl F N2 O4
SMILES:	O=C1NC(C(=O)OCc2ccc(Cl)cc2)=C(F)C(=O)N1
InChi:	InChI=1S/C12H8ClFN2O4/c13-7-3-1-6(2-4-7)5-20-11(18)9-8(14)10(17)16-12(19)15-9/h1-4H,5H2,(H2,15,16,17,19)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(4-chlorophenyl)methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate

S5Q

S5Q
Name:	FeFe cofactor
Formula:	C Fe8 S9
SMILES:	S1[Fe]23[S-]4[Fe]5[S-]2[Fe]67S[Fe]89[S-]%10[Fe]%11[S-]%12[Fe]1%10[C++]368%13[Fe]4(S[Fe]%12%13[S-]9%11)[S-]57
InChi:	InChI=1S/C.8Fe.9S/q+2
Definition date:	2022-12-13
Last modified:	2023-06-09
Release date:	2023-06-14

XV5

XV5
Name:	(2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one
Formula:	C15 H10 O5
SMILES:	Oc1cc(/C=C2Oc3ccccc3C2=O)c(O)cc1O
InChi:	InChI=1S/C15H10O5/c16-10-7-12(18)11(17)5-8(10)6-14-15(19)9-3-1-2-4-13(9)20-14/h1-7,16-18H
Definition date:	2022-12-13
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one

WNL

WNL
Name:	(6M)-5-ethyl-6-(3-methoxyphenyl)-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Formula:	C14 H16 N2 O2 S
SMILES:	S=C1NC(c2cccc(OC)c2)=C(CC)C(=O)N1C
InChi:	InChI=1S/C14H16N2O2S/c1-4-11-12(15-14(19)16(2)13(11)17)9-6-5-7-10(8-9)18-3/h5-8H,4H2,1-3H3,(H,15,19)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(6M)-5-ethyl-6-(3-methoxyphenyl)-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

WNR

WNR
Name:	3-{[([1,1'-biphenyl]-2-yl)oxy]methyl}benzoic acid
Formula:	C20 H16 O3
SMILES:	O=C(O)c1cccc(COc2ccccc2c2ccccc2)c1
InChi:	InChI=1S/C20H16O3/c21-20(22)17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)16-8-2-1-3-9-16/h1-13H,14H2,(H,21,22)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	3-{[([1,1'-biphenyl]-2-yl)oxy]methyl}benzoic acid

WNW

WNW
Name:	4-methyl-N-{[(3aR,4R,5R,7R,7aR)-octahydro-1H-4,7-methanoinden-5-yl]carbamoyl}benzene-1-sulfonamide
Formula:	C18 H24 N2 O3 S
SMILES:	Cc1ccc(cc1)S(=O)(=O)NC(=O)NC1CC2CC1C1CCCC21
InChi:	InChI=1S/C18H24N2O3S/c1-11-5-7-13(8-6-11)24(22,23)20-18(21)19-17-10-12-9-16(17)15-4-2-3-14(12)15/h5-8,12,14-17H,2-4,9-10H2,1H3,(H2,19,20,21)/t12-,14-,15-,16-,17-/m1/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-methyl-N-{[(3aR,4R,5R,7R,7aR)-octahydro-1H-4,7-methanoinden-5-yl]carbamoyl}benzene-1-sulfonamide

KW2

KW2
Name:	(2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol
Formula:	C24 H34 N2 O4
SMILES:	C[CH]1[CH](C[CH]2C[CH]1C2(C)C)NCc3cn([CH]4OC[CH](O)[CH](O)[CH]4O)c5ccccc35
InChi:	InChI=1S/C24H34N2O4/c1-13-17-8-15(24(17,2)3)9-18(13)25-10-14-11-26(19-7-5-4-6-16(14)19)23-22(29)21(28)20(27)12-30-23/h4-7,11,13,15,17-18,20-23,25,27-29H,8-10,12H2,1-3H3/t13-,15+,17-,18-,20-,21+,22-,23-/m1/s1
Definition date:	2022-06-07
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol

KW6

KW6
Name:	(2R,3R,4S,5R)-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Formula:	C22 H19 N5 O4
SMILES:	Nc1ncnc2n(cc(C#Cc3cnc4ccccc4c3)c12)[CH]5O[CH](CO)[CH](O)[CH]5O
InChi:	InChI=1S/C22H19N5O4/c23-20-17-14(6-5-12-7-13-3-1-2-4-15(13)24-8-12)9-27(21(17)26-11-25-20)22-19(30)18(29)16(10-28)31-22/h1-4,7-9,11,16,18-19,22,28-30H,10H2,(H2,23,25,26)/t16-,18-,19-,22-/m1/s1
Definition date:	2022-06-07
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol

WOB

WOB
Name:	5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid
Formula:	C15 H8 Cl F6 N O3
SMILES:	FC(F)(F)c1nc(OCC(F)(F)F)c(cc1C(=O)O)c1ccc(Cl)cc1
InChi:	InChI=1S/C15H8ClF6NO3/c16-8-3-1-7(2-4-8)9-5-10(13(24)25)11(15(20,21)22)23-12(9)26-6-14(17,18)19/h1-5H,6H2,(H,24,25)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid

U8H

U8H
Name:	6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dithione
Formula:	C11 H11 N3 O S2
SMILES:	COc1ccc(cc1)CC1=NNC(=S)NC1=S
InChi:	InChI=1S/C11H11N3OS2/c1-15-8-4-2-7(3-5-8)6-9-10(16)12-11(17)14-13-9/h2-5H,6H2,1H3,(H2,12,14,16,17)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dithione

WON

WON
Name:	6-[(2H-1,3-benzodioxol-5-yl)methyl]-3-sulfanyl-1,2,4-triazin-5-ol
Formula:	C11 H9 N3 O3 S
SMILES:	Oc1nc(S)nnc1Cc1ccc2OCOc2c1
InChi:	InChI=1S/C11H9N3O3S/c15-10-7(13-14-11(18)12-10)3-6-1-2-8-9(4-6)17-5-16-8/h1-2,4H,3,5H2,(H2,12,14,15,18)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	6-[(2H-1,3-benzodioxol-5-yl)methyl]-3-sulfanyl-1,2,4-triazin-5-ol

OKF

OKF
Name:	3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid
Formula:	C24 H21 N O2
SMILES:	O=C(O)CCn1c2ccc(C)cc2c(c2ccccc2)c1c1ccccc1
InChi:	InChI=1S/C24H21NO2/c1-17-12-13-21-20(16-17)23(18-8-4-2-5-9-18)24(19-10-6-3-7-11-19)25(21)15-14-22(26)27/h2-13,16H,14-15H2,1H3,(H,26,27)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid

WOU

WOU
Name:	(1R,2S)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid
Formula:	C19 H23 N3 O4 S
SMILES:	O=C(O)C1CCCCC1C(=O)Nc1sc2CCCCc2c1c1nc(C)no1
InChi:	InChI=1S/C19H23N3O4S/c1-10-20-17(26-22-10)15-13-8-4-5-9-14(13)27-18(15)21-16(23)11-6-2-3-7-12(11)19(24)25/h11-12H,2-9H2,1H3,(H,21,23)(H,24,25)/t11-,12+/m0/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1R,2S)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid

WP0

WP0
Name:	(1R,2R)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid
Formula:	C19 H23 N3 O4 S
SMILES:	O=C(O)C1CCCCC1C(=O)Nc1sc2CCCCc2c1c1nc(C)no1
InChi:	InChI=1S/C19H23N3O4S/c1-10-20-17(26-22-10)15-13-8-4-5-9-14(13)27-18(15)21-16(23)11-6-2-3-7-12(11)19(24)25/h11-12H,2-9H2,1H3,(H,21,23)(H,24,25)/t11-,12+/m1/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1R,2R)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid

KWX

KWX
Name:	(1S,2S)-2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
Formula:	C14 H15 Cl F N O3
SMILES:	OC(=O)C1CCCCC1C(=O)Nc1ccc(F)c(Cl)c1
InChi:	InChI=1S/C14H15ClFNO3/c15-11-7-8(5-6-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)/t9-,10+/m0/s1
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1S,2S)-2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid

WP8

WP8
Name:	4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide
Formula:	C12 H14 Cl N3 O2 S
SMILES:	O=S(=O)(Nc1ccnn1C)c1cc(C)c(Cl)cc1C
InChi:	InChI=1S/C12H14ClN3O2S/c1-8-7-11(9(2)6-10(8)13)19(17,18)15-12-4-5-14-16(12)3/h4-7,15H,1-3H3
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide

WPK

WPK
Name:	6-chloro-5-fluoro-1H-benzimidazole
Formula:	C7 H4 Cl F N2
SMILES:	Fc1cc2nc[NH]c2cc1Cl
InChi:	InChI=1S/C7H4ClFN2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	6-chloro-5-fluoro-1H-benzimidazole

WPQ

WPQ
Name:	2-{[3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
Formula:	C14 H15 N O5 S
SMILES:	CCOC(=O)c1ccsc1NC(=O)C=1CCCC=1C(=O)O
InChi:	InChI=1S/C14H15NO5S/c1-2-20-14(19)10-6-7-21-12(10)15-11(16)8-4-3-5-9(8)13(17)18/h6-7H,2-5H2,1H3,(H,15,16)(H,17,18)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-{[3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid

WPU

WPU
Name:	(3R,4R,7aS)-3-(3,4-dichlorophenyl)-1H,3H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione
Formula:	C11 H8 Cl2 N2 O2 S
SMILES:	Clc1ccc(cc1Cl)C1SCC2C(=O)NC(=O)N12
InChi:	InChI=1S/C11H8Cl2N2O2S/c12-6-2-1-5(3-7(6)13)10-15-8(4-18-10)9(16)14-11(15)17/h1-3,8,10H,4H2,(H,14,16,17)/t8-,10-/m1/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3R,4R,7aS)-3-(3,4-dichlorophenyl)-1H,3H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione

WPZ

WPZ
Name:	6-methyl-3-phenyl-1,2,4-triazin-5-ol
Formula:	C10 H9 N3 O
SMILES:	Oc1nc(nnc1C)c1ccccc1
InChi:	InChI=1S/C10H9N3O/c1-7-10(14)11-9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	6-methyl-3-phenyl-1,2,4-triazin-5-ol

WQ3

WQ3
Name:	2-{[(2M)-5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
Formula:	C16 H14 Cl N3 O4
SMILES:	Cc1nc(on1)c1ccc(Cl)cc1NC(=O)C=1CCCC=1C(=O)O
InChi:	InChI=1S/C16H14ClN3O4/c1-8-18-15(24-20-8)12-6-5-9(17)7-13(12)19-14(21)10-3-2-4-11(10)16(22)23/h5-7H,2-4H2,1H3,(H,19,21)(H,22,23)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-{[(2M)-5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid

WQ8

WQ8
Name:	(1R,2R,3R,4S)-3-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxylic acid
Formula:	C15 H15 N O2 S
SMILES:	O=C(O)C1C2CCC(C2)C1c1nc2ccccc2s1
InChi:	InChI=1S/C15H15NO2S/c17-15(18)13-9-6-5-8(7-9)12(13)14-16-10-3-1-2-4-11(10)19-14/h1-4,8-9,12-13H,5-7H2,(H,17,18)/t8-,9+,12+,13+/m0/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1R,2R,3R,4S)-3-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxylic acid

WQC

WQC
Name:	2-{[(3-methoxyphenyl)sulfanyl]methyl}-1,3-thiazole-4-carboxylic acid
Formula:	C12 H11 N O3 S2
SMILES:	O=C(O)c1csc(CSc2cccc(OC)c2)n1
InChi:	InChI=1S/C12H11NO3S2/c1-16-8-3-2-4-9(5-8)17-7-11-13-10(6-18-11)12(14)15/h2-6H,7H2,1H3,(H,14,15)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-{[(3-methoxyphenyl)sulfanyl]methyl}-1,3-thiazole-4-carboxylic acid

OM6

OM6
Name:	(2S)-2-cyclohexyl-6-hydroxy-1-benzofuran-3(2H)-one
Formula:	C14 H16 O3
SMILES:	Oc1ccc2c(c1)OC(C2=O)C1CCCCC1
InChi:	InChI=1S/C14H16O3/c15-10-6-7-11-12(8-10)17-14(13(11)16)9-4-2-1-3-5-9/h6-9,14-15H,1-5H2/t14-/m0/s1
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2S)-2-cyclohexyl-6-hydroxy-1-benzofuran-3(2H)-one

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