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JMJ
JMJ
表記:N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
組成式:C8 H7 N3 O2 S2
SMILES:c2coc(C(Nc1nnc(SC)s1)=O)c2
InChi:InChI=1S/C8H7N3O2S2/c1-14-8-11-10-7(15-8)9-6(12)5-3-2-4-13-5/h2-4H,1H3,(H,9,10,12)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
JMM
JMM
表記:[4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone
組成式:C13 H16 N2 O3
SMILES:C3N(C(=O)C1CC1)CCN(C(c2ccco2)=O)C3
InChi:InChI=1S/C13H16N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h1-2,9-10H,3-8H2
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:[4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone
JMY
JMY
表記:1-[(3S,3aS,8bS)-5-fluoro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one
組成式:C13 H14 F N O3
SMILES:c1cc(c2c(c1)C3N(C(C)=O)CC(C3O2)CO)F
InChi:InChI=1S/C13H14FNO3/c1-7(17)15-5-8(6-16)12-11(15)9-3-2-4-10(14)13(9)18-12/h2-4,8,11-12,16H,5-6H2,1H3/t8-,11-,12-/m0/s1
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:1-[(3S,3aS,8bS)-5-fluoro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one
JN1
JN1
表記:(6R)-5,6-dihydro-1H-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3H)-trione
組成式:C10 H10 N2 O3 S
SMILES:c3ccc2c(C1CN(CC(=O)N1)S2(=O)=O)c3
InChi:InChI=1S/C10H10N2O3S/c13-10-6-12-5-8(11-10)7-3-1-2-4-9(7)16(12,14)15/h1-4,8H,5-6H2,(H,11,13)/t8-/m0/s1
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(6R)-5,6-dihydro-1H-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3H)-trione
JNG
JNG
表記:[(4-chlorophenyl)sulfanyl]acetic acid
組成式:C8 H7 Cl O2 S
SMILES:O=C(O)CSc1ccc(Cl)cc1
InChi:InChI=1S/C8H7ClO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:[(4-chlorophenyl)sulfanyl]acetic acid
JNM
JNM
表記:1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one
組成式:C11 H14 O3
SMILES:C(=O)(C)c1c(O)c(CCC)ccc1O
InChi:InChI=1S/C11H14O3/c1-3-4-8-5-6-9(13)10(7(2)12)11(8)14/h5-6,13-14H,3-4H2,1-2H3
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one
JNP
JNP
表記:7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
組成式:C11 H12 O3
SMILES:c2(O)cc1OC(C)(C)CC(c1cc2)=O
InChi:InChI=1S/C11H12O3/c1-11(2)6-9(13)8-4-3-7(12)5-10(8)14-11/h3-5,12H,6H2,1-2H3
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
JNV
JNV
表記:1-(3,4-dichlorophenyl)propan-2-one
組成式:C9 H8 Cl2 O
SMILES:c1(cc(CC(C)=O)ccc1Cl)Cl
InChi:InChI=1S/C9H8Cl2O/c1-6(12)4-7-2-3-8(10)9(11)5-7/h2-3,5H,4H2,1H3
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:1-(3,4-dichlorophenyl)propan-2-one
JNY
JNY
表記:6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
組成式:C8 H5 F3 N2 O
SMILES:CC1=CC(C(F)(F)F)=C(C#N)C(N1)=O
InChi:InChI=1S/C8H5F3N2O/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4/h2H,1H3,(H,13,14)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
JO1
JO1
表記:1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
組成式:C10 H11 N3 O S
SMILES:C(c1sccc1)NC(c2ccnn2C)=O
InChi:InChI=1S/C10H11N3OS/c1-13-9(4-5-12-13)10(14)11-7-8-3-2-6-15-8/h2-6H,7H2,1H3,(H,11,14)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
JO4
JO4
表記:4-phenoxybenzoic acid
組成式:C13 H10 O3
SMILES:c1ccccc1Oc2ccc(C(=O)O)cc2
InChi:InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:4-phenoxybenzoic acid
JO7
JO7
表記:(1R,4R,5R,6R)-4-methoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonan-6-ol
組成式:C10 H19 N O4 S
SMILES:COC1CN(C2CCC(O)C1C2)S(=O)(C)=O
InChi:InChI=1S/C10H19NO4S/c1-15-10-6-11(16(2,13)14)7-3-4-9(12)8(10)5-7/h7-10,12H,3-6H2,1-2H3/t7-,8-,9-,10+/m1/s1
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(1R,4R,5R,6R)-4-methoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonan-6-ol
JOA
JOA
表記:(1R,4R,5R,6R)-4,6-dimethoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane
組成式:C11 H21 N O4 S
SMILES:C1C(C2C(OC)CCC(N1S(C)(=O)=O)C2)OC
InChi:InChI=1S/C11H21NO4S/c1-15-10-5-4-8-6-9(10)11(16-2)7-12(8)17(3,13)14/h8-11H,4-7H2,1-3H3/t8-,9-,10-,11+/m1/s1
定義日:2018-09-12
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(1R,4R,5R,6R)-4,6-dimethoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane
JOD
JOD
表記:(5S,8R,8aS)-8-hydroxyhexahydro-3H-5,8-ethano[1,3]oxazolo[3,4-a]pyridin-3-one
組成式:C9 H13 N O3
SMILES:C2C1C3(O)CCC(N1C(O2)=O)CC3
InChi:InChI=1S/C9H13NO3/c11-8-10-6-1-3-9(12,4-2-6)7(10)5-13-8/h6-7,12H,1-5H2/t6-,7-,9-/m0/s1
定義日:2018-09-12
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(5S,8R,8aS)-8-hydroxyhexahydro-3H-5,8-ethano[1,3]oxazolo[3,4-a]pyridin-3-one
JOG
JOG
表記:(1R,4R,5R,6S)-4,6-dihydroxy-N-phenyl-2-azabicyclo[3.3.1]nonane-2-carboxamide
組成式:C15 H20 N2 O3
SMILES:C2N(C1CCC(O)C(C1)C2O)C(=O)Nc3ccccc3
InChi:InChI=1S/C15H20N2O3/c18-13-7-6-11-8-12(13)14(19)9-17(11)15(20)16-10-4-2-1-3-5-10/h1-5,11-14,18-19H,6-9H2,(H,16,20)/t11-,12-,13+,14+/m1/s1
定義日:2018-09-12
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(1R,4R,5R,6S)-4,6-dihydroxy-N-phenyl-2-azabicyclo[3.3.1]nonane-2-carboxamide
JOJ
JOJ
表記:2-(4,5-dichloro-1H-imidazol-1-yl)ethanethioamide
組成式:C5 H5 Cl2 N3 S
SMILES:c1(n(CC(N)=S)cnc1Cl)Cl
InChi:InChI=1S/C5H5Cl2N3S/c6-4-5(7)10(2-9-4)1-3(8)11/h2H,1H2,(H2,8,11)
定義日:2018-09-12
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:2-(4,5-dichloro-1H-imidazol-1-yl)ethanethioamide
JOM
JOM
表記:5-{[4-(trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2(3H)-thione
組成式:C9 H6 F3 N3 S2
SMILES:C2(Nc1ccc(cc1)C(F)(F)F)=NNC(=S)S2
InChi:InChI=1S/C9H6F3N3S2/c10-9(11,12)5-1-3-6(4-2-5)13-7-14-15-8(16)17-7/h1-4H,(H,13,14)(H,15,16)
定義日:2018-09-12
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:5-{[4-(trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2(3H)-thione
JOP
JOP
表記:N-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N'-[(2R)-2-hydroxypropyl]thiourea
組成式:C11 H20 N2 O S
SMILES:C1C(NC(NCC(C)O)=S)C2CCC1C2
InChi:InChI=1S/C11H20N2OS/c1-7(14)6-12-11(15)13-10-5-8-2-3-9(10)4-8/h7-10,14H,2-6H2,1H3,(H2,12,13,15)/t7-,8+,9-,10+/m1/s1
定義日:2018-09-12
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:N-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N'-[(2R)-2-hydroxypropyl]thiourea
JOV
JOV
表記:3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
組成式:C11 H14 Cl N O2
SMILES:c1ccc(cc1C(NC(C)(CO)C)=O)Cl
InChi:InChI=1S/C11H14ClNO2/c1-11(2,7-14)13-10(15)8-4-3-5-9(12)6-8/h3-6,14H,7H2,1-2H3,(H,13,15)
定義日:2018-09-12
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
JOY
JOY
表記:4-[(1H-pyrazol-1-yl)methyl]benzonitrile
組成式:C11 H9 N3
SMILES:c1cn(nc1)Cc2ccc(C#N)cc2
InChi:InChI=1S/C11H9N3/c12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,9H2
定義日:2018-09-12
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:4-[(1H-pyrazol-1-yl)methyl]benzonitrile
JP4
JP4
表記:[2-(morpholin-4-yl)phenyl]methanol
組成式:C11 H15 N O2
SMILES:C1COCCN1c2ccccc2CO
InChi:InChI=1S/C11H15NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,13H,5-9H2
定義日:2018-09-12
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:[2-(morpholin-4-yl)phenyl]methanol
JP7
JP7
表記:(6aR,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one
組成式:C14 H16 N2 O3
SMILES:C2N4C(CCN4C3c1ccc(OC)cc1OCC23)=O
InChi:InChI=1S/C14H16N2O3/c1-18-10-2-3-11-12(6-10)19-8-9-7-16-13(17)4-5-15(16)14(9)11/h2-3,6,9,14H,4-5,7-8H2,1H3/t9-,14+/m0/s1
定義日:2018-09-12
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(6aR,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one
JPD
JPD
表記:methyl (1S,3S,4R)-4-hydroxy-3-[(1S)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
組成式:C12 H21 N O4
SMILES:C21(C(C(CC)O)N(C(OC)=O)C(CC1)CC2)O
InChi:InChI=1S/C12H21NO4/c1-3-9(14)10-12(16)6-4-8(5-7-12)13(10)11(15)17-2/h8-10,14,16H,3-7H2,1-2H3/t8-,9-,10-,12-/m0/s1
定義日:2018-09-12
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:methyl (1S,3S,4R)-4-hydroxy-3-[(1S)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
JPG
JPG
表記:1-(2-phenoxyphenyl)ethan-1-one
組成式:C14 H12 O2
SMILES:c2cc(Oc1c(C(C)=O)cccc1)ccc2
InChi:InChI=1S/C14H12O2/c1-11(15)13-9-5-6-10-14(13)16-12-7-3-2-4-8-12/h2-10H,1H3
定義日:2018-09-12
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:1-(2-phenoxyphenyl)ethan-1-one
JPV
JPV
表記:(2R,5R,6S)-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol
組成式:C14 H16 N2 O
SMILES:c21nc3C4C(O)CNC(Cc3c1cccc2)C4
InChi:InChI=1S/C14H16N2O/c17-13-7-15-8-5-10-9-3-1-2-4-12(9)16-14(10)11(13)6-8/h1-4,8,11,13,15-17H,5-7H2/t8-,11+,13-/m0/s1
定義日:2018-09-12
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(2R,5R,6S)-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol

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