 | | Q0O | | Name: | (6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one | | Formula: | C19 H14 O3 | | SMILES: | O=C1C=C(O)CC(/C=C2c3ccccc3c3ccccc23)O1 | | InChi: | InChI=1S/C19H14O3/c20-12-9-13(22-19(21)10-12)11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,10-11,13,20H,9H2/t13-/m0/s1 | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one |
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 | | 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 |
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 | | 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 |
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 | | SUX | | Name: | (3P)-2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine | | Formula: | C21 H23 N5 O | | SMILES: | C1CCCCc2c1nc(C1CCCO1)c(c1nnn[NH]1)c2c1ccccc1 | | InChi: | InChI=1S/C21H23N5O/c1-3-8-14(9-4-1)18-15-10-5-2-6-11-16(15)22-20(17-12-7-13-27-17)19(18)21-23-25-26-24-21/h1,3-4,8-9,17H,2,5-7,10-13H2,(H,23,24,25,26)/t17-/m0/s1 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (3P)-2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine |
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 | | 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 |
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 | | Q1I | | Name: | (3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine | | Formula: | C22 H28 N6 | | SMILES: | CC(C)N(C)c1nc(C2CCCC2)c(C)c(c1c1nnn[NH]1)c1ccccc1 | | InChi: | InChI=1S/C22H28N6/c1-14(2)28(4)22-19(21-24-26-27-25-21)18(16-10-6-5-7-11-16)15(3)20(23-22)17-12-8-9-13-17/h5-7,10-11,14,17H,8-9,12-13H2,1-4H3,(H,24,25,26,27) | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine |
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 | | 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 |
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 | | 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 |
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 | | W7U | | Name: | (5R)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-4,5-dihydro-1H-pyrazol-5-ol | | Formula: | C11 H13 Cl N2 O S | | SMILES: | CN1N=C(CSc2ccc(Cl)cc2)CC1O | | InChi: | InChI=1S/C11H13ClN2OS/c1-14-11(15)6-9(13-14)7-16-10-4-2-8(12)3-5-10/h2-5,11,15H,6-7H2,1H3 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (5R)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-4,5-dihydro-1H-pyrazol-5-ol |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | UXR | | Name: | (2S)-2-phosphonopropanoic acid | | Formula: | C3 H7 O5 P | | SMILES: | O=C(O)C(C)P(=O)(O)O | | InChi: | InChI=1S/C3H7O5P/c1-2(3(4)5)9(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1 | | Definition date: | 2022-08-28 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2S)-2-phosphonopropanoic acid |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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