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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

W7Z

W7Z
Name:	(8S)-5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Formula:	C19 H15 Cl N4 O2
SMILES:	Clc1cccc(OCC2=CC(=O)n3nc(nc3N2)c2ccccc2)c1C
InChi:	InChI=1S/C19H15ClN4O2/c1-12-15(20)8-5-9-16(12)26-11-14-10-17(25)24-19(21-14)22-18(23-24)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,21,22,23)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(8S)-5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one

TB3

TB3
Name:	(2Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid
Formula:	C10 H7 Br Cl N O3
SMILES:	Brc1cc(Cl)c(NC(=O)C=C/C(=O)O)cc1
InChi:	InChI=1S/C10H7BrClNO3/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)/b4-3-
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic 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

VS5

VS5
Name:	(3M)-4-(4-fluorophenyl)-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine
Formula:	C20 H21 F N6 O
SMILES:	Fc1ccc(cc1)c1c2COCCc2nc(c1c1nnn[NH]1)N1CCCCC1
InChi:	InChI=1S/C20H21FN6O/c21-14-6-4-13(5-7-14)17-15-12-28-11-8-16(15)22-20(27-9-2-1-3-10-27)18(17)19-23-25-26-24-19/h4-7H,1-3,8-12H2,(H,23,24,25,26)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3M)-4-(4-fluorophenyl)-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine

SW6

SW6
Name:	2-[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-5-propanoyl-thiophen-2-yl]ethyl dihydrogen phosphate
Formula:	C16 H22 N3 O5 P S
SMILES:	CCC(=O)c1sc(CCO[P](O)(O)=O)c(C)c1Cc2cnc(C)nc2N
InChi:	InChI=1S/C16H22N3O5PS/c1-4-13(20)15-12(7-11-8-18-10(3)19-16(11)17)9(2)14(26-15)5-6-24-25(21,22)23/h8H,4-7H2,1-3H3,(H2,17,18,19)(H2,21,22,23)
Definition date:	2022-12-19
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-5-propanoyl-thiophen-2-yl]ethyl dihydrogen phosphate

WQH

WQH
Name:	5-[(4-methyl-3-phenoxyphenyl)methyl]-1H-tetrazole
Formula:	C15 H14 N4 O
SMILES:	Cc1ccc(cc1Oc1ccccc1)Cc1nnn[NH]1
InChi:	InChI=1S/C15H14N4O/c1-11-7-8-12(10-15-16-18-19-17-15)9-14(11)20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,16,17,18,19)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-[(4-methyl-3-phenoxyphenyl)methyl]-1H-tetrazole

X7I

X7I
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[2-(1~{H}-indol-3-yl)ethyl]carbamate
Formula:	C23 H23 N7 O5
SMILES:	O[CH]1[CH](O)[CH](O[CH]1COC(=O)NCCc2c[nH]c3ccccc23)n4cnc5c6nccn6cnc45
InChi:	InChI=1S/C23H23N7O5/c31-18-16(10-34-23(33)25-6-5-13-9-26-15-4-2-1-3-14(13)15)35-22(19(18)32)30-12-27-17-20-24-7-8-29(20)11-28-21(17)30/h1-4,7-9,11-12,16,18-19,22,26,31-32H,5-6,10H2,(H,25,33)/t16-,18-,19-,22-/m1/s1
Definition date:	2023-06-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[2-(1~{H}-indol-3-yl)ethyl]carbamate

WQL

WQL
Name:	(5S)-1-[(4-methoxyphenyl)methyl]-5-(propan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
Formula:	C18 H22 N2 O4
SMILES:	CC(C)C1(CC=C)C(=O)N(Cc2ccc(OC)cc2)C(=O)NC1=O
InChi:	InChI=1S/C18H22N2O4/c1-5-10-18(12(2)3)15(21)19-17(23)20(16(18)22)11-13-6-8-14(24-4)9-7-13/h5-9,12H,1,10-11H2,2-4H3,(H,19,21,23)/t18-/m0/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(5S)-1-[(4-methoxyphenyl)methyl]-5-(propan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione

Q29

Q29
Name:	(1R,2S)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid
Formula:	C14 H16 Cl2 O3
SMILES:	O=C(O)C1CCCCC1COc1ccc(Cl)c(Cl)c1
InChi:	InChI=1S/C14H16Cl2O3/c15-12-6-5-10(7-13(12)16)19-8-9-3-1-2-4-11(9)14(17)18/h5-7,9,11H,1-4,8H2,(H,17,18)/t9-,11-/m1/s1
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1R,2S)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid

W8C

W8C
Name:	5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Formula:	C12 H13 N3 O S
SMILES:	C=CCn1c(S)nnc1OCc1ccccc1
InChi:	InChI=1S/C12H13N3OS/c1-2-8-15-11(13-14-12(15)17)16-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,17)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

W8H

W8H
Name:	(2S)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid
Formula:	C19 H21 Cl O2 S2
SMILES:	Clc1ccc(SCCCCC(Sc2ccc(C)cc2)C(=O)O)cc1
InChi:	InChI=1S/C19H21ClO2S2/c1-14-5-9-17(10-6-14)24-18(19(21)22)4-2-3-13-23-16-11-7-15(20)8-12-16/h5-12,18H,2-4,13H2,1H3,(H,21,22)/t18-/m0/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2S)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid

W8N

W8N
Name:	5-(3-bromo-4-methylphenyl)-3,3-dimethyl-5-oxopentanoic acid
Formula:	C14 H17 Br O3
SMILES:	Cc1ccc(cc1Br)C(=O)CC(C)(C)CC(=O)O
InChi:	InChI=1S/C14H17BrO3/c1-9-4-5-10(6-11(9)15)12(16)7-14(2,3)8-13(17)18/h4-6H,7-8H2,1-3H3,(H,17,18)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-(3-bromo-4-methylphenyl)-3,3-dimethyl-5-oxopentanoic acid

UK0

UK0
Name:	(4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid
Formula:	C20 H28 O3
SMILES:	C[CH]1CC[C]2(C)[CH](CCC=C2C(O)=O)[C]1(C)CCc3cocc3
InChi:	InChI=1S/C20H28O3/c1-14-7-10-20(3)16(18(21)22)5-4-6-17(20)19(14,2)11-8-15-9-12-23-13-15/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t14-,17-,19+,20+/m1/s1
Definition date:	2023-06-07
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid

W8T

W8T
Name:	(2R,3S)-2-(phenoxymethyl)-1-phenylpyrrolidine-3-carboxylic acid
Formula:	C18 H19 N O3
SMILES:	O=C(O)C1CCN(c2ccccc2)C1COc1ccccc1
InChi:	InChI=1S/C18H19NO3/c20-18(21)16-11-12-19(14-7-3-1-4-8-14)17(16)13-22-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,21)/t16-,17-/m0/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2R,3S)-2-(phenoxymethyl)-1-phenylpyrrolidine-3-carboxylic acid

W90

W90
Name:	5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid
Formula:	C13 H15 Cl2 N O3
SMILES:	Clc1cc(NC(=O)CC(C)(C)CC(=O)O)cc(Cl)c1
InChi:	InChI=1S/C13H15Cl2NO3/c1-13(2,7-12(18)19)6-11(17)16-10-4-8(14)3-9(15)5-10/h3-5H,6-7H2,1-2H3,(H,16,17)(H,18,19)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid

TQO

TQO
Name:	[(8R,9S)-8-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]acetic acid
Formula:	C20 H28 O4
SMILES:	O=C(O)CC1CCC2(CC1Cc1ccccc1)OCC(C)(C)CO2
InChi:	InChI=1S/C20H28O4/c1-19(2)13-23-20(24-14-19)9-8-16(11-18(21)22)17(12-20)10-15-6-4-3-5-7-15/h3-7,16-17H,8-14H2,1-2H3,(H,21,22)/t16-,17+/m0/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	[(8R,9S)-8-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]acetic acid

W95

W95
Name:	(1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid
Formula:	C15 H24 O4
SMILES:	O=C(OC1CC(C)CCC1C(C)C)C1CC1C(=O)O
InChi:	InChI=1S/C15H24O4/c1-8(2)10-5-4-9(3)6-13(10)19-15(18)12-7-11(12)14(16)17/h8-13H,4-7H2,1-3H3,(H,16,17)/t9-,10+,11+,12+,13-/m1/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid

W9B

W9B
Name:	(2R)-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid
Formula:	C17 H23 F3 O4
SMILES:	OC(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)(C(=O)O)C(F)(F)F
InChi:	InChI=1S/C17H23F3O4/c1-14(2,3)9-7-10(15(4,5)6)12(21)11(8-9)16(24,13(22)23)17(18,19)20/h7-8,21,24H,1-6H3,(H,22,23)/t16-/m1/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2R)-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic 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

W9F

W9F
Name:	5-(3,4-dichlorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Formula:	C11 H8 Cl2 N2 O2 S
SMILES:	CC1(C(=O)NC(=S)NC1=O)c1ccc(Cl)c(Cl)c1
InChi:	InChI=1S/C11H8Cl2N2O2S/c1-11(5-2-3-6(12)7(13)4-5)8(16)14-10(18)15-9(11)17/h2-4H,1H3,(H2,14,15,16,17,18)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-(3,4-dichlorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

W9K

W9K
Name:	(5R)-7-(4-hydroxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione
Formula:	C13 H11 N O3 S2
SMILES:	Oc1ccc(cc1)C1=CC2(CCS1)SC(=O)NC2=O
InChi:	InChI=1S/C13H11NO3S2/c15-9-3-1-8(2-4-9)10-7-13(5-6-18-10)11(16)14-12(17)19-13/h1-4,7,15H,5-6H2,(H,14,16,17)/t13-/m1/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(5R)-7-(4-hydroxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione

KCV

KCV
Name:	5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Formula:	C12 H12 Cl N3 O S
SMILES:	Sc1nnc(COc2ccc(Cl)cc2)n1CC=C
InChi:	InChI=1S/C12H12ClN3OS/c1-2-7-16-11(14-15-12(16)18)8-17-10-5-3-9(13)4-6-10/h2-6H,1,7-8H2,(H,15,18)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

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223532

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