FULL DB
Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )
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BBL027113
Synonyms: methyl(4-chloro-2-formyl-6-methoxyphenoxy)acetate
Smiles: COC(=O)COc1c(OC)cc(cc1C=O)Cl
BBL027114
Synonyms: 3-[(2-formyl-6-methoxyphenoxy)methyl]benzoicacid
Smiles: COc1cccc(c1OCc1cccc(c1)C(=O)O)C=O
BBL027115
Synonyms: 3-ethoxy-4-[(3-nitrobenzyl)oxy]-5-(prop-2-en-1-yl)benzaldehyde
Smiles: CCOc1cc(C=O)cc(c1OCc1cccc(c1)[N+](=O)[O-])CC=C
BBL027116
Synonyms: 3-methoxy-4-[(3-nitrobenzyl)oxy]-5-(prop-2-en-1-yl)benzaldehyde
Smiles: C=CCc1cc(C=O)cc(c1OCc1cccc(c1)[N+](=O)[O-])OC
BBL027117
Synonyms: 2-(2-chloro-4-formylphenoxy)-N-(4-fluorophenyl)acetamide
Smiles: O=Cc1ccc(c(c1)Cl)OCC(=O)Nc1ccc(cc1)F
BBL027118
Synonyms: 2-amino-1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone
Smiles: NCC(=O)c1cc(n(c1C)c1ccc(cc1)F)C
BBL027119
Synonyms: 3,3'-[ethane-1,2-diylbis(oxy)]dibenzaldehyde
Smiles: O=Cc1cccc(c1)OCCOc1cccc(c1)C=O
BBL027120
Synonyms: 4-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1,3-thiazol-2-amine
Smiles: Fc1ccc(cc1)n1c(C)cc(c1C)c1csc(n1)N
BBL027121
Synonyms: ethyl[4-(1H-pyrrol-1-yl)phenoxy]acetate
Smiles: CCOC(=O)COc1ccc(cc1)n1cccc1
BBL027122
Synonyms: (2Z)-2-cyano-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enoicacid
Smiles: N#C/C(=C/c1ccc2c(c1)CC(O2)C)/C(=O)O
BBL027123
Synonyms: methyl[(5E)-5-(3-chlorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Smiles: COC(=O)CN1C(=O)S/C(=C/c2cccc(c2)Cl)/C1=O
BBL027124
Synonyms: (5Z)-5-(4-hydroxybenzylidene)-3-methyl-2-thioxoimidazolidin-4-one
Smiles: CN1C(=S)N/C(=C\c2ccc(cc2)O)/C1=O
BBL027125
Synonyms: (5Z)-5-(5-bromo-2-hydroxybenzylidene)-3-methyl-2-thioxoimidazolidin-4-one
Smiles: CN1C(=O)/C(=C/c2cc(Br)ccc2O)/NC1=S
BBL027126
Synonyms: methyl4-{[(4-methylphenyl)sulfanyl]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)CSc1ccc(cc1)C
BBL027127
Synonyms: methyl4-{[(4-bromophenyl)sulfanyl]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)CSc1ccc(cc1)Br
BBL027128
Synonyms: 3-(4-chlorophenyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Smiles: Clc1ccc(cc1)n1c(=S)[nH]c2c(c1=O)c1CCCCc1s2
BBL027129
Synonyms: N-cyclohexyl-2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetamide
Smiles: O=C(CN1c2ccccc2C(=O)C1=O)NC1CCCCC1
BBL027130
Synonyms: 1-(2-chloro-4-fluorobenzyl)-1H-indole-2,3-dione
Smiles: Fc1ccc(c(c1)Cl)CN1c2ccccc2C(=O)C1=O
BBL027131
Synonyms: 3-amino-N-(3-iodophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
Smiles: COCc1cc(C)nc2c1c(N)c(s2)C(=O)Nc1cccc(c1)I
BBL027132
Synonyms: 3-amino-4-(methoxymethyl)-6-methyl-N-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: COCc1cc(C)nc2c1c(N)c(s2)C(=O)Nc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
BBL027133
Synonyms: ethyl1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-1,2,3-triazole-4-carboxylate
Smiles: CCOC(=O)c1nnn(c1)C1CC(=O)N(C1=O)c1ccccc1
BBL027134
Synonyms: ethyl1-[1-(3,5-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1H-1,2,3-triazole-4-carboxylate
Smiles: CCOC(=O)c1nnn(c1)C1CC(=O)N(C1=O)c1cc(OC)cc(c1)OC
BBL027135
Synonyms: 6-amino-4-methylpyrimidine-2(1H)-thione
Smiles: Cc1cc(N)[nH]c(=S)n1
BBL027136
Synonyms: methylN-(2-fluorophenyl)-N-(methylsulfonyl)glycinate
Smiles: COC(=O)CN(S(=O)(=O)C)c1ccccc1F
BBL027137
Synonyms: N-(5-chloro-2-methoxyphenyl)-2-[(2-hydroxyethyl)sulfanyl]acetamide
Smiles: COc1ccc(cc1NC(=O)CSCCO)Cl
BBL027138
Synonyms: N-(2-fluorophenyl)-2-[(2-hydroxyethyl)sulfanyl]acetamide
Smiles: OCCSCC(=O)Nc1ccccc1F
BBL027139
Synonyms: methyl4-({[(2-hydroxyethyl)sulfanyl]acetyl}amino)benzoate
Smiles: OCCSCC(=O)Nc1ccc(cc1)C(=O)OC
BBL027140
Synonyms: N-(4-ethylphenyl)-2-[(2-hydroxyethyl)sulfanyl]acetamide
Smiles: OCCSCC(=O)Nc1ccc(cc1)CC
BBL027141
Synonyms: 2-[(2-hydroxyethyl)sulfanyl]-N-(4-nitrophenyl)acetamide
Smiles: OCCSCC(=O)Nc1ccc(cc1)[N+](=O)[O-]
BBL027142
Synonyms: N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]acetamide
Smiles: OCCSCC(=O)Nc1cccc(c1)Cl
BBL027143
Synonyms: 2-[(2-hydroxyethyl)sulfanyl]-N-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}acetamide
Smiles: OCCSCC(=O)Nc1ccc(cc1)C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3
BBL027144
Synonyms: 4-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile
Smiles: O=Cc1c(C)n(c2c1cccc2)Cc1ccc(cc1)C#N
BBL027145
Synonyms: 4-(1,3-dihydro-2H-isoindol-2-yl)-2-methylbenzaldehyde
Smiles: O=Cc1ccc(cc1C)N1Cc2c(C1)cccc2
BBL027146
Synonyms: N-(2-cyanoethyl)-N-[(5-formylfuran-2-yl)methyl]methanesulfonamide
Smiles: O=Cc1ccc(o1)CN(S(=O)(=O)C)CCC#N
BBL027147
Synonyms: ({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)propanedinitrile
Smiles: N#CC(=Cc1ccc(o1)Sc1ccc(cc1)C)C#N
BBL027148
Synonyms: ({5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)propanedinitrile
Smiles: N#CC(=Cc1ccc(o1)Sc1ccc(cc1)Cl)C#N
BBL027149
Synonyms: 1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
Smiles: COc1cc(ccc1n1c(C)cc(c1C)C=O)[N+](=O)[O-]
BBL027150
Synonyms: 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carbaldehyde
Smiles: O=Cc1cn(c2c1cccc2)Cc1onc(n1)c1ccccc1
BBL027151
Synonyms: 1-(2-chlorobenzyl)-N'-hydroxy-1H-indole-3-carboximidamide
Smiles: O/N=C(\c1cn(c2c1cccc2)Cc1ccccc1Cl)/N
BBL027152
Synonyms: 1-[2-(2-chlorophenoxy)ethyl]-N'-hydroxy-1H-indole-3-carboximidamide
Smiles: O/N=C(/c1cn(c2c1cccc2)CCOc1ccccc1Cl)\N
BBL027153
Synonyms: (8xi,9xi,10xi,13xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-ylacetate
Smiles: CC(=O)OCC(=O)[C@@]1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)CCC12C
BBL027154
Synonyms:
Smiles: CCC(C(C(=O)O)NC(=O)C)C
BBL027155
Synonyms: 4-(4-formyl-2-methoxyphenoxy)butanenitrile
Smiles: N#CCCCOc1ccc(cc1OC)C=O
BBL027156
Synonyms: 4-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-methoxybenzaldehyde
Smiles: O=Cc1ccc(c(c1)OC)OCc1cc2OCOc2cc1Cl
BBL027157
Synonyms: 4-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-ethoxybenzaldehyde
Smiles: CCOc1cc(C=O)ccc1OCc1cc2OCOc2cc1Cl
BBL027158
Synonyms: 4-(3-formyl-2-methyl-1H-indol-1-yl)butanoicacid
Smiles: O=Cc1c(C)n(c2c1cccc2)CCCC(=O)O
BBL027159
Synonyms: 4-(2-formyl-6-methoxyphenoxy)butanoicacid
Smiles: COc1cccc(c1OCCCC(=O)O)C=O
BBL027160
Synonyms: (4-ethoxy-2-formylphenoxy)aceticacid
Smiles: CCOc1ccc(c(c1)C=O)OCC(=O)O
BBL027161
Synonyms: ethyl(4-ethoxy-2-formylphenoxy)acetate
Smiles: CCOC(=O)COc1ccc(cc1C=O)OCC
BBL027162
Synonyms: 4-(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)butanoicacid
Smiles: OC(=O)CCCN1c2ccc(cc2C(=O)C1=O)Br
BBL027163
Synonyms: 2-(7-ethyl-3-formyl-1H-indol-1-yl)propanoicacid
Smiles: CCc1cccc2c1n(cc2C=O)C(C(=O)O)C
BBL027164
Synonyms: 4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoicacid
Smiles: OC(=O)CCCOc1cccc2c1CCCC2
BBL027165
Synonyms: 1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
Smiles: COc1ccc(c(c1)[N+](=O)[O-])n1c(C)cc(c1C)C=O
BBL027166
Synonyms: 1-(4-methylphenyl)-1H-pyrrole-2-carboxylicacid
Smiles: Cc1ccc(cc1)n1cccc1C(=O)O
BBL027167
Synonyms: 2-(4-fluorophenyl)-5-[(E)-2-nitroethenyl]furan
Smiles: [O-][N+](=O)/C=C/c1ccc(o1)c1ccc(cc1)F
BBL027168
Synonyms: {4-bromo-2-[(Z)-(5-oxo-1-propyl-2-thioxoimidazolidin-4-ylidene)methyl]phenoxy}aceticacid
Smiles: CCCN1C(=S)N/C(=C\c2cc(Br)ccc2OCC(=O)O)/C1=O
BBL027169
Synonyms: 3-{5-[(Z)-(1-cyclohexyl-3-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]furan-2-yl}benzoicacid
Smiles: S=C1N(C2CCCCC2)C(=O)/C(=C/c2ccc(o2)c2cccc(c2)C(=O)O)/N1C
BBL027170
Synonyms: (5Z)-3-cyclohexyl-5-(4-hydroxy-3,5-dimethoxybenzylidene)-1-methyl-2-thioxoimidazolidin-4-one
Smiles: COc1cc(/C=C\2/C(=O)N(C(=S)N2C)C2CCCCC2)cc(c1O)OC
BBL027171
Synonyms: (5Z)-5-(3-ethoxy-2-hydroxybenzylidene)-3-propyl-2-thioxoimidazolidin-4-one
Smiles: CCCN1C(=S)N/C(=C\c2cccc(c2O)OCC)/C1=O
BBL027172
Synonyms: (5Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-propyl-2-thioxoimidazolidin-4-one
Smiles: CCCN1C(=S)N/C(=C\c2cc(Br)c(c(c2)OCC)O)/C1=O
BBL027173
Synonyms: (5Z)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-cyclohexyl-1-methyl-2-thioxoimidazolidin-4-one
Smiles: COc1cc(/C=C\2/C(=O)N(C(=S)N2C)C2CCCCC2)cc(c1O)Br
BBL027174
Synonyms: ethyl{[4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc(n1c1cccc(c1)C)c1ccccc1
BBL027175
Synonyms: ethyl{[4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc(n1c1ccc(c(c1)C)C)c1ccccc1
BBL027176
Synonyms: ethyl[(5E)-5-(3-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Smiles: CCOC(=O)CN1C(=O)S/C(=C/c2cccc(c2)O)/C1=O
BBL027177
Synonyms: 2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Smiles: COCc1cc(C)nc(c1C#N)SCC(=O)Nc1cc(C)cc(c1)C
BBL027178
Synonyms: 2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide
Smiles: COCc1cc(C)nc(c1C#N)SCC(=O)Nc1ccccc1C(C)C
BBL027179
Synonyms: 4-cyanobenzyl4-formylbenzoate
Smiles: O=Cc1ccc(cc1)C(=O)OCc1ccc(cc1)C#N
BBL027180
Synonyms: 4-iodobenzyl4-formylbenzoate
Smiles: O=Cc1ccc(cc1)C(=O)OCc1ccc(cc1)I
BBL027181
Synonyms: 2-[(E)-2-nitroethenyl]-5-[2-(trifluoromethyl)phenyl]furan
Smiles: [O-][N+](=O)/C=C/c1ccc(o1)c1ccccc1C(F)(F)F
BBL027182
Synonyms: 2-{2-ethoxy-4-[(E)-2-nitroethenyl]phenoxy}acetamide
Smiles: CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCC(=O)N
BBL027183
Synonyms: 2-[(2-hydroxyethyl)sulfanyl]-N-(3-iodophenyl)acetamide
Smiles: OCCSCC(=O)Nc1cccc(c1)I
BBL027184
Synonyms: (2Z)-2-[2-oxo-1-(propan-2-yl)-1,2-dihydro-3H-indol-3-ylidene]hydrazinecarbothioamide
Smiles: NC(=S)N/N=C\1/c2ccccc2N(C1=O)C(C)C
BBL027185
Synonyms: 4-[(4-iodobenzyl)oxy]-3-methoxy-5-(prop-2-en-1-yl)benzaldehyde
Smiles: C=CCc1cc(C=O)cc(c1OCc1ccc(cc1)I)OC
BBL027186
Synonyms: 3-ethoxy-4-[(4-iodobenzyl)oxy]-5-(prop-2-en-1-yl)benzaldehyde
Smiles: CCOc1cc(C=O)cc(c1OCc1ccc(cc1)I)CC=C
BBL027187
Synonyms: N-(4-methylphenyl)-2-{4-[(E)-2-nitroethenyl]phenoxy}acetamide
Smiles: O=C(Nc1ccc(cc1)C)COc1ccc(cc1)/C=C/[N+](=O)[O-]
BBL027188
Synonyms: {4-bromo-2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}aceticacid
Smiles: OC(=O)COc1ccc(cc1/C=C/1\Sc2c(C1=O)cccc2)Br
BBL027189
Synonyms: ethylN-(3-chloro-4-fluorophenyl)-N-(methylsulfonyl)glycinate
Smiles: CCOC(=O)CN(S(=O)(=O)C)c1ccc(c(c1)Cl)F
BBL027190
Synonyms: methyl4-(morpholin-4-ylcarbonothioyl)benzoate
Smiles: COC(=O)c1ccc(cc1)C(=S)N1CCOCC1
BBL027191
Synonyms: 6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol
Smiles: Oc1nc(/C=C/c2c(Cl)cccc2Cl)c(c(n1)O)[N+](=O)[O-]
BBL027192
Synonyms: (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-one
Smiles: O=C1/C(=C/c2cccnc2)/Sc2c1cccc2
BBL027193
Synonyms: 4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazole-3-thiol
Smiles: Clc1ccc(cc1)n1c(nnc1S)CN1CCOCC1
BBL027194
Synonyms: (2E)-2-cyano-3-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}prop-2-enethioamide
Smiles: CCOc1cc(ccc1OCc1ccccc1F)/C=C(/C(=S)N)\C#N
BBL027195
Synonyms: N-(3,5-dichlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]acetamide
Smiles: OCCSCC(=O)Nc1cc(Cl)cc(c1)Cl
BBL027196
Synonyms: methyl3-(acetylamino)tricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Smiles: COC(=O)C12CC3CC(C1)CC(C2)(C3)NC(=O)C
BBL027197
Synonyms: 2-(3-formyl-1H-indol-1-yl)-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
Smiles: O=Cc1cn(c2c1cccc2)CC(=O)NC12CC3CC(C2)CC(C1)C3
BBL027198
Synonyms: 2-(4-formyl-2-methoxyphenoxy)-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
Smiles: COc1cc(C=O)ccc1OCC(=O)NC12CC3CC(C2)CC(C1)C3
BBL027199
Synonyms: N-cyclohexyl-6-hydroxy-2-oxo-2H-chromene-3-carboxamide
Smiles: O=C(c1cc2cc(O)ccc2oc1=O)NC1CCCCC1
BBL027200
Synonyms: 1-(cyanomethyl)-4-(methoxymethyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: COCc1cc(C)n(c(=O)c1C#N)CC#N
BBL027201
Synonyms: 1-(4-fluorobenzyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: N#Cc1c(C)cc(n(c1=O)Cc1ccc(cc1)F)C
BBL027202
Synonyms: 2-[(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzonitrile
Smiles: N#Cc1ccccc1CN1C(=O)COc2c1cccc2
BBL027203
Synonyms: 4-(5-bromo-4-formyl-2-methoxyphenoxy)butanenitrile
Smiles: COc1cc(C=O)c(cc1OCCCC#N)Br
BBL027204
Synonyms: N-(3-cyanopropyl)-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methylbenzenesulfonamide
Smiles: N#CCCCN(S(=O)(=O)c1ccc(cc1)C)c1ccc2c(c1)n(C)c(=O)n2C
BBL027205
Synonyms: 2,3-bis(hydroxymethyl)-1-oxoquinoxalin-1-ium-4(1H)-olate
Smiles: OCc1c(CO)n([O-])c2c([n+]1=O)cccc2
BBL027206
Synonyms: 17-methyl-17-[(trimethylsilyl)oxy]estr-4-en-3-one
Smiles: O=C1CCC2C(=C1)CCC1C2CCC2(C1CCC2(C)O[Si](C)(C)C)C
BBL027207
Synonyms: 3-[2-(ethylamino)-1-hydroxyethyl]phenol
Smiles: CCNCC(c1cccc(c1)O)O
BBL027208
Synonyms: 1-[3-bromo-5-methoxy-4-(2-methylpropoxy)phenyl]methanamine
Smiles: NCc1cc(Br)c(c(c1)OC)OCC(C)C
BBL027209
Synonyms: (4-pentylphenoxy)aceticacid
Smiles: CCCCCc1ccc(cc1)OCC(=O)O
BBL027210
Synonyms: (4-butoxyphenoxy)aceticacid
Smiles: CCCCOc1ccc(cc1)OCC(=O)O
BBL027211
Synonyms: 2,2'-[naphthalene-1,5-diylbis(oxy)]diaceticacid
Smiles: OC(=O)COc1cccc2c1cccc2OCC(=O)O
BBL027212
Synonyms: 6-[(E)-2-(diethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
Smiles: CCN(/C=C/c1n(C)c(=O)n(c(=O)c1[N+](=O)[O-])C)CC
BBL027213
Synonyms: 5-chloro-2-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzaldehyde
Smiles: C=CCc1ccccc1OCCOc1ccc(cc1C=O)Cl
BBL027214
Synonyms: ethyl3-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate
Smiles: CCOC(=O)c1cccc(c1)c1ccc(o1)C=C(C#N)C#N
BBL027215
Synonyms: (2E)-3-[5-(2-bromo-4-methylphenyl)furan-2-yl]-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1ccc(o1)c1ccc(cc1Br)C)/C(=O)N
BBL027216
Synonyms: ethyl5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=C2N(C1c1c(OC)ccc3c1cccc3)C(=O)CS2
BBL027217
Synonyms: ethyl5-(2-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=C2N(C1c1ccccc1OC)C(=O)CS2
BBL027218
Synonyms: 2-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
Smiles: N#Cc1c(/N=C/c2cc(Br)ccc2O)sc2c1C1CCN2CC1
BBL027219
Synonyms: 2-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
Smiles: N#Cc1c(/N=C/c2cc(ccc2O)[N+](=O)[O-])sc2c1C1CCN2CC1
BBL027220
Synonyms: 5-(2,5-dibromophenyl)furan-2-carbaldehyde
Smiles: O=Cc1ccc(o1)c1cc(Br)ccc1Br
BBL027221
Synonyms: (5E)-5-(4-hydroxy-3-iodobenzylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2ccc(c(c2)I)O)/C(=O)N1C
BBL027222
Synonyms: 5,6-dimethyl-3-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
Smiles: Cc1ccc(cc1)n1c(=S)[nH]c2c(c1=O)c(C)c(s2)C
BBL027223
Synonyms: 3-(3,4-dimethylphenyl)-5,6-dimethyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
Smiles: Cc1cc(ccc1C)n1c(=S)[nH]c2c(c1=O)c(C)c(s2)C
BBL027224
Synonyms: 3-(4-ethylphenyl)-5,6-dimethyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
Smiles: CCc1ccc(cc1)n1c(=S)[nH]c2c(c1=O)c(C)c(s2)C
BBL027225
Synonyms: 3-(4-ethoxyphenyl)-5,6-dimethyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
Smiles: CCOc1ccc(cc1)n1c(=S)[nH]c2c(c1=O)c(C)c(s2)C
BBL027226
Synonyms: 3-(3,4-dimethylphenyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Smiles: Cc1ccc(cc1C)n1c(=S)[nH]c2c(c1=O)c1CCCCc1s2
BBL027227
Synonyms: 3-(4-ethylphenyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Smiles: CCc1ccc(cc1)n1c(=S)[nH]c2c(c1=O)c1CCCCc1s2
BBL027228
Synonyms: 3-(4-methoxyphenyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Smiles: COc1ccc(cc1)n1c(=S)[nH]c2c(c1=O)c1CCCCc1s2
BBL027229
Synonyms: 3-(4-ethoxyphenyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Smiles: CCOc1ccc(cc1)n1c(=S)[nH]c2c(c1=O)c1CCCCc1s2
BBL027230
Synonyms: 3-(4-fluorophenyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Smiles: Fc1ccc(cc1)n1c(=S)[nH]c2c(c1=O)c1CCCCc1s2
BBL027231
Synonyms: N-(3-chloro-2-methylphenyl)-2-(3-formyl-1H-indol-1-yl)acetamide
Smiles: O=Cc1cn(c2c1cccc2)CC(=O)Nc1cccc(c1C)Cl
BBL027232
Synonyms: methyl4-{[(3-formyl-1H-indol-1-yl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)Cn1cc(c2c1cccc2)C=O
BBL027233
Synonyms: 2-(3-formyl-1H-indol-1-yl)-N-(4-methyl-3-nitrophenyl)acetamide
Smiles: O=Cc1cn(c2c1cccc2)CC(=O)Nc1ccc(c(c1)[N+](=O)[O-])C
BBL027234
Synonyms: N-(4-bromo-2,3-dimethylphenyl)-2-(3-formyl-1H-indol-1-yl)acetamide
Smiles: O=Cc1cn(c2c1cccc2)CC(=O)Nc1ccc(c(c1C)C)Br
BBL027235
Synonyms: 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-3-carbaldehyde
Smiles: O=Cc1cn(c2c1cccc2)CC(=O)N1CCN(CC1)c1ccccc1
BBL027236
Synonyms: ethyl4-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)Cn1c2ccccc2c(c1C)C=O
BBL027237
Synonyms: methyl4-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)Cn1c2ccccc2c(c1C)C=O
BBL027238
Synonyms: methyl4-{[(5-bromo-3-formyl-1H-indol-1-yl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)Cn1cc(c2c1ccc(c2)Br)C=O
BBL027239
Synonyms: 4-bromobenzyl4-formylbenzoate
Smiles: O=Cc1ccc(cc1)C(=O)OCc1ccc(cc1)Br
BBL027240
Synonyms: N-(4-bromo-2-fluorophenyl)-2-[(2-hydroxyethyl)sulfanyl]acetamide
Smiles: OCCSCC(=O)Nc1ccc(cc1F)Br
BBL027241
Synonyms: 2-(3-formyl-2-methyl-1H-indol-1-yl)-N-(3-iodophenyl)acetamide
Smiles: O=Cc1c2ccccc2n(c1C)CC(=O)Nc1cccc(c1)I
BBL027242
Synonyms: 3-(prop-2-en-1-yl)imidazolidine-2,4-dione
Smiles: C=CCN1C(=O)CNC1=O
BBL027243
Synonyms: 3,4-dichlorobenzyl4-formylbenzoate
Smiles: O=Cc1ccc(cc1)C(=O)OCc1ccc(c(c1)Cl)Cl
BBL027244
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-formyl-1H-indol-1-yl)acetamide
Smiles: O=Cc1cn(c2c1cccc2)CC(=O)Nc1ccc2c(c1)OCCO2
BBL027245
Synonyms: N-(3-chloro-4-fluorophenyl)-2-(3-formyl-1H-indol-1-yl)acetamide
Smiles: O=Cc1cn(c2c1cccc2)CC(=O)Nc1ccc(c(c1)Cl)F
BBL027246
Synonyms: 1-(2-chloro-4-fluorobenzyl)-2-methyl-1H-indole-3-carbaldehyde
Smiles: O=Cc1c(C)n(c2c1cccc2)Cc1ccc(cc1Cl)F
BBL027247
Synonyms: 4-[(4-formyl-2-methoxyphenoxy)methyl]benzonitrile
Smiles: O=Cc1ccc(c(c1)OC)OCc1ccc(cc1)C#N
BBL027248
Synonyms: ethyl4-[(4-formyl-2-methoxyphenoxy)methyl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)COc1ccc(cc1OC)C=O
BBL027249
Synonyms: 2-(4-formyl-2-methoxyphenoxy)-N-[2-(morpholin-4-yl)phenyl]acetamide
Smiles: O=Cc1ccc(c(c1)OC)OCC(=O)Nc1ccccc1N1CCOCC1
BBL027250
Synonyms: 2-[(2-aminophenyl)sulfanyl]-N-(4-iodophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)I)CSc1ccccc1N
BBL027251
Synonyms: 2-[(2-aminophenyl)sulfanyl]-N-(3-nitrophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)[N+](=O)[O-])CSc1ccccc1N
BBL027252
Synonyms: 2-[(2-aminophenyl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)CSc1ccccc1N
BBL027253
Synonyms: 3-amino-N-(4-chloro-3-methylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
Smiles: COCc1cc(C)nc2c1c(N)c(s2)C(=O)Nc1ccc(c(c1)C)Cl
BBL027254
Synonyms: 2-(3-formyl-1H-indol-1-yl)-N-(4-phenoxyphenyl)acetamide
Smiles: O=Cc1cn(c2c1cccc2)CC(=O)Nc1ccc(cc1)Oc1ccccc1
BBL027255
Synonyms: 4,6-dimethyl-1-[2-(morpholin-4-yl)-2-oxoethyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: N#Cc1c(C)cc(n(c1=O)CC(=O)N1CCOCC1)C
BBL027256
Synonyms: 2-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Smiles: N#Cc1c(C)cc(n(c1=O)CC(=O)Nc1ccc2c(c1)OCCO2)C
BBL027257
Synonyms: 2-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)-N-[4-(morpholin-4-yl)phenyl]acetamide
Smiles: N#Cc1c(C)cc(n(c1=O)CC(=O)Nc1ccc(cc1)N1CCOCC1)C
BBL027258
Synonyms: {[5-(2-methylpiperidin-1-yl)furan-2-yl]methylidene}propanedinitrile
Smiles: N#CC(=Cc1ccc(o1)N1CCCCC1C)C#N
BBL027259
Synonyms: 1-(2-phenylethyl)proline
Smiles: OC(=O)C1CCCN1CCc1ccccc1
BBL027260
Synonyms: 1-(3-phenylpropyl)proline
Smiles: OC(=O)C1CCCN1CCCc1ccccc1
BBL027261
Synonyms: N-(4-fluorophenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
Smiles: COc1cccc(c1OCC(=O)Nc1ccc(cc1)F)C=O
BBL027262
Synonyms: 3,5-diiodo-4-methoxybenzaldehyde
Smiles: COc1c(I)cc(cc1I)C=O
BBL027263
Synonyms: 2-[(2-hydroxyethyl)sulfanyl]-1-(1-methyl-1H-indol-3-yl)ethanone
Smiles: OCCSCC(=O)c1cn(c2c1cccc2)C
BBL027264
Synonyms: 3-bromo-5-methoxy-4-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzaldehyde
Smiles: O=Cc1cc(Br)c(c(c1)OC)OCCOc1cccc(c1)C(F)(F)F
BBL027265
Synonyms: [(4-methyl-5-{[(methylsulfonyl)(phenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]aceticacid
Smiles: OC(=O)CSc1nnc(n1C)CN(S(=O)(=O)C)c1ccccc1
BBL027266
Synonyms: [3-(4-methoxyphenyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl]aceticacid
Smiles: COc1ccc(cc1)n1c(C)cc(=O)n(c1=O)CC(=O)O
BBL027267
Synonyms: (2E)-3-(3,4-dihydro-2H-chromen-6-yl)prop-2-enoicacid
Smiles: OC(=O)/C=C/c1ccc2c(c1)CCCO2
BBL027268
Synonyms: 4-{2-[(4-fluorobenzyl)sulfanyl]ethoxy}-3-methoxybenzaldehyde
Smiles: COc1cc(C=O)ccc1OCCSCc1ccc(cc1)F
BBL027269
Synonyms: 2,3-bis(2-chlorophenyl)propanenitrile
Smiles: N#CC(c1ccccc1Cl)Cc1ccccc1Cl
BBL027270
Synonyms: 1-{2-[(2-ethyl-6-methylphenyl)amino]-2-oxoethyl}-6-oxo-1,6-dihydropyridine-3-carboxylicacid
Smiles: CCc1cccc(c1NC(=O)Cn1cc(ccc1=O)C(=O)O)C
BBL027271
Synonyms: 1-{2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}-6-oxo-1,6-dihydropyridine-3-carboxylicacid
Smiles: COc1ccc(cc1NC(=O)Cn1cc(ccc1=O)C(=O)O)Cl
BBL027272
Synonyms: 1-{2-[(2-chloro-4-methylphenyl)amino]-2-oxoethyl}-6-oxo-1,6-dihydropyridine-3-carboxylicacid
Smiles: O=C(Cn1cc(ccc1=O)C(=O)O)Nc1ccc(cc1Cl)C
BBL027273
Synonyms: 1-{2-[(2-chlorophenyl)amino]-2-oxoethyl}-6-oxo-1,6-dihydropyridine-3-carboxylicacid
Smiles: O=C(Cn1cc(ccc1=O)C(=O)O)Nc1ccccc1Cl
BBL027274
Synonyms: 1-{2-[(2,4-difluorophenyl)amino]-2-oxoethyl}-6-oxo-1,6-dihydropyridine-3-carboxylicacid
Smiles: O=C(Cn1cc(ccc1=O)C(=O)O)Nc1ccc(cc1F)F
BBL027275
Synonyms: 1-{2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}-6-oxo-1,6-dihydropyridine-3-carboxylicacid
Smiles: COc1cc(OC)ccc1NC(=O)Cn1cc(ccc1=O)C(=O)O
BBL027276
Synonyms: 1-{2-[(3-acetylphenyl)amino]-2-oxoethyl}-6-oxo-1,6-dihydropyridine-3-carboxylicacid
Smiles: O=C(Cn1cc(ccc1=O)C(=O)O)Nc1cccc(c1)C(=O)C
BBL027277
Synonyms: 1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-6-oxo-1,6-dihydropyridine-3-carboxylicacid
Smiles: O=C(Cn1cc(ccc1=O)C(=O)O)NCCC1=CCCCC1
BBL027278
Synonyms: 6-oxo-1-{2-oxo-2-[(4-phenylbutan-2-yl)amino]ethyl}-1,6-dihydropyridine-3-carboxylicacid
Smiles: CC(NC(=O)Cn1cc(ccc1=O)C(=O)O)CCc1ccccc1
BBL027279
Synonyms: 1,4:3,6-dianhydro-2-deoxy-2-[4-(ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]-5-O-(methylsulfonyl)-L-iditol
Smiles: CCOC(=O)c1nnn(c1)[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2OS(=O)(=O)C
BBL027280
Synonyms: N-benzyl-5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-N-ethylpyridin-2-amine
Smiles: CCN(c1ccc(cn1)c1noc(n1)CCl)Cc1ccccc1
BBL027281
Synonyms: 2-{5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-yl}-1,2,3,4-tetrahydroisoquinoline
Smiles: ClCc1onc(n1)c1ccc(nc1)N1CCc2c(C1)cccc2
BBL027282
Synonyms: 5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-(piperidin-1-yl)pyridine
Smiles: ClCc1onc(n1)c1ccc(nc1)N1CCCCC1
BBL027283
Synonyms: 5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-N,N-diethylpyridin-2-amine
Smiles: CCN(c1ccc(cn1)c1noc(n1)CCl)CC
BBL027284
Synonyms: 4-[2-(2-chlorophenoxy)ethoxy]benzaldehyde
Smiles: O=Cc1ccc(cc1)OCCOc1ccccc1Cl
BBL027285
Synonyms: 4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]butanoate
Smiles: OCC(C(C(=O)NCCCC(=O)[O-])O)(C)C
BBL027286
Synonyms: bromoacetylbromide
Smiles: BrCC(=O)Br
BBL027287
Synonyms: 2-bromopropane
Smiles: CC(Br)C
BBL027288
Synonyms: ethylbromoacetate
Smiles: CCOC(=O)CBr
BBL027289
Synonyms: Allium
Smiles: COCCBr
BBL027290
Synonyms: Historical
Smiles: BrCCc1ccccc1
BBL027291
Synonyms: methyl3-bromopropanoate
Smiles: COC(=O)CCBr
BBL027292
Synonyms: (3-bromopropyl)benzene
Smiles: BrCCCc1ccccc1
BBL027293
Synonyms: 1,4-dibromobutane
Smiles: BrCCCCBr
BBL027294
Synonyms: 1-(4-fluorophenyl)ethanone
Smiles: CC(=O)c1ccc(cc1)F
BBL027295
Synonyms: 1-(bromomethyl)-4-(trifluoromethyl)benzene
Smiles: BrCc1ccc(cc1)C(F)(F)F
BBL027296
Synonyms: Allium
Smiles: O=C(C(F)(F)F)CC(=O)C
BBL027297
Synonyms: 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione
Smiles: O=C(C(C(C(F)(F)F)(F)F)(F)F)CC(=O)C(C)(C)C
BBL027298
Synonyms: 1-chloro-2,3,4,5,6-pentafluorobenzene
Smiles: Fc1c(F)c(F)c(c(c1F)Cl)F
BBL027299
Synonyms: 1-(3,4-dichlorophenyl)ethanone
Smiles: CC(=O)c1ccc(c(c1)Cl)Cl
BBL027300
Synonyms: 1-(2,4-dichlorophenyl)ethanone
Smiles: Clc1ccc(c(c1)Cl)C(=O)C
BBL027301
Synonyms: dimethylcarbamicchloride
Smiles: CN(C(=O)Cl)C
BBL027302
Synonyms: Allium
Smiles: ClC(=O)c1ccccc1F
BBL027303
Synonyms: 2,6-difluorobenzoylchloride
Smiles: ClC(=O)c1c(F)cccc1F
BBL027304
Synonyms: 2,6-dichlorobenzoylchloride
Smiles: ClC(=O)c1c(Cl)cccc1Cl
BBL027305
Synonyms: 3,4-dimethoxybenzoylchloride
Smiles: COc1cc(ccc1OC)C(=O)Cl
BBL027306
Synonyms: 4-methylbenzoylchloride
Smiles: ClC(=O)c1ccc(cc1)C
BBL027307
Synonyms: ethylchloro(oxo)acetate
Smiles: CCOC(=O)C(=O)Cl
BBL027308
Synonyms: methoxyacetylchloride
Smiles: COCC(=O)Cl
BBL027309
Synonyms: 3-methylbut-2-enoylchloride
Smiles: CC(=CC(=O)Cl)C
BBL027310
Synonyms: 3-methylbutanoylchloride
Smiles: CC(CC(=O)Cl)C
BBL027311
Synonyms: heptanedioyldichloride
Smiles: ClC(=O)CCCCCC(=O)Cl
BBL027312
Synonyms: 3-chlorobutan-2-one
Smiles: CC(=O)C(Cl)C
BBL027313
Synonyms: Historical
Smiles: ClCc1cccc(c1)Cl
BBL027314
Synonyms: Allium
Smiles: ClCc1ccc(cc1)F
BBL027315
Synonyms: 2-chloro-1-(2,4-dichlorophenyl)ethanone
Smiles: ClCC(=O)c1ccc(cc1Cl)Cl
BBL027316
Synonyms: Historical
Smiles: ClCC(=O)CC(=O)OC
BBL027317
Synonyms: Historical
Smiles: CCOC(=O)CC(=O)CCl
BBL027318
Synonyms: (2-chloroethyl)benzene
Smiles: ClCCc1ccccc1
BBL027319
Synonyms: 1-iodopropane
Smiles: CCCI
BBL027320
Synonyms: 1-iodobutane
Smiles: CCCCI
BBL027321
Synonyms: 1-iodoheptane
Smiles: CCCCCCCI
BBL027322
Synonyms: 1-iodooctane
Smiles: CCCCCCCCI
BBL027323
Synonyms: 9H-fluorene
Smiles: c1ccc2c(c1)Cc1c2cccc1
BBL027324
Synonyms: 1-(9H-fluoren-2-yl)ethanone
Smiles: CC(=O)c1ccc2c(c1)Cc1c2cccc1
BBL027325
Synonyms: 9-bromo-9H-fluorene
Smiles: BrC1c2ccccc2c2c1cccc2
BBL027326
Synonyms: 9-hydroxy-9H-fluorene-9-carboxylicacid
Smiles: OC(=O)C1(O)c2ccccc2c2c1cccc2
BBL027327
Synonyms: 1,2-dihydroxyanthracene-9,10-dione
Smiles: O=C1c2ccccc2C(=O)c2c1ccc(c2O)O
BBL027328
Synonyms: 1,2,4-trihydroxyanthracene-9,10-dione
Smiles: Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O
BBL027329
Synonyms: bromocyclopropane
Smiles: BrC1CC1
BBL027330
Synonyms: 2,2-dichloro-1-methylcyclopropanecarboxylicacid
Smiles: OC(=O)C1(C)CC1(Cl)Cl
BBL027331
Synonyms: cyclopropyl(phenyl)methanone
Smiles: O=C(c1ccccc1)C1CC1
BBL027332
Synonyms: cyclopropanamine
Smiles: NC1CC1
BBL027333
Synonyms: ethyl2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
Smiles: CCOC(=O)C1C(C1(C)C)C=C(C)C
BBL027334
Synonyms: (bromomethyl)cyclopropane
Smiles: BrCC1CC1
BBL027335
Synonyms: 1-(4-chlorophenyl)cyclobutanecarboxylicacid
Smiles: OC(=O)C1(CCC1)c1ccc(cc1)Cl
BBL027336
Synonyms: (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
Smiles: CC1=CC[C@@H]2C[C@H]1C2(C)C
BBL027337
Synonyms: 1-(4-methoxyphenyl)cyclopentanecarboxylicacid
Smiles: COc1ccc(cc1)C1(CCCC1)C(=O)O
BBL027338
Synonyms: cyclopentylaceticacid
Smiles: OC(=O)CC1CCCC1
BBL027339
Synonyms: 3-cyclopentylpropanoylchloride
Smiles: ClC(=O)CCC1CCCC1
BBL027340
Synonyms: Allium
Smiles: O=C1CCCC1
BBL027341
Synonyms: methyl2-oxocyclopentanecarboxylate
Smiles: COC(=O)C1CCCC1=O
BBL027342
Synonyms: cyclohexyl(phenyl)methanone
Smiles: O=C(c1ccccc1)C1CCCCC1
BBL027343
Synonyms: 4-(2-aminopropan-2-yl)-1-methylcyclohexanamine
Smiles: CC1(N)CCC(CC1)C(N)(C)C
BBL027344
Synonyms: cyclohexane-1,2-diamine
Smiles: NC1CCCCC1N
BBL027345
Synonyms: cyclohex-3-ene-1,1-diyldimethanol
Smiles: OCC1(CO)CCC=CC1
BBL027346
Synonyms: 3,5,5-trimethylcyclohex-2-en-1-one
Smiles: CC1=CC(=O)CC(C1)(C)C
BBL027347
Synonyms: 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione
Smiles: CC1=C(C)C(=O)C(=C(C1=O)C)C
BBL027348
Synonyms: cyclohexane-1,4-dione
Smiles: O=C1CCC(=O)CC1
BBL027349
Synonyms: 2-acetylcyclohexanone
Smiles: O=C1CCCCC1C(=O)C
BBL027350
Synonyms: 2-hydroxynaphthalene-1,4-dione
Smiles: O=C1C=C(O)C(=O)c2c1cccc2
BBL027351
Synonyms: 2-methylnaphthalene-1,4-dione
Smiles: O=C1C=C(C)C(=O)c2c1cccc2
BBL027352
Synonyms: 3,4-dihydronaphthalen-1(2H)-one
Smiles: O=C1CCCc2c1cccc2
BBL027353
Synonyms: 5-methoxy-3,4-dihydronaphthalen-1(2H)-one
Smiles: COc1cccc2c1CCCC2=O
BBL027354
Synonyms: naphthalene-1,2-dione
Smiles: O=C1C=Cc2c(C1=O)cccc2
BBL027355
Synonyms: pentafluorobenzonitrile
Smiles: N#Cc1c(F)c(F)c(c(c1F)F)F
BBL027356
Synonyms: 2,6-difluorobenzonitrile
Smiles: N#Cc1c(F)cccc1F
BBL027357
Synonyms: 4-(trifluoromethyl)benzonitrile
Smiles: N#Cc1ccc(cc1)C(F)(F)F
BBL027358
Synonyms: chloromethylthiocyanate
Smiles: ClCSC#N
BBL027359
Synonyms: dichloropropanedinitrile
Smiles: N#CC(C#N)(Cl)Cl
BBL027360
Synonyms: ethene-1,1,2,2-tetracarbonitrile
Smiles: N#CC(=C(C#N)C#N)C#N
BBL027361
Synonyms: Historical
Smiles: N#C/C(=C(\C#N)/N)/N
BBL027362
Synonyms: Allium
Smiles: ClCC#N
BBL027363
Synonyms: (methylideneamino)acetonitrile
Smiles: C=NCC#N
BBL027364
Synonyms: (2E)-3,7-dimethylocta-2,6-dienenitrile
Smiles: N#C/C=C(/CCC=C(C)C)\C
BBL027365
Synonyms: prop-2-enenitrile
Smiles: C=CC#N
BBL027366
Synonyms: 4-chloro-2-fluoro-1-isocyanatobenzene
Smiles: O=C=Nc1ccc(cc1F)F
BBL027367
Synonyms: 1-isocyanato-2-methoxybenzene
Smiles: O=C=Nc1ccccc1OC
BBL027368
Synonyms: 1,2-dichloro-4-isocyanatobenzene
Smiles: O=C=Nc1ccc(c(c1)Cl)Cl
BBL027369
Synonyms: ethylN-(oxomethylidene)glycinate
Smiles: CCOC(=O)CN=C=O
BBL027370
Synonyms: 1-chloro-2-isocyanatoethane
Smiles: ClCCN=C=O
BBL027371
Synonyms: 1-isocyanatobutane
Smiles: CCCCN=C=O
BBL027372
Synonyms: pentafluorophenol
Smiles: Fc1c(O)c(F)c(c(c1F)F)F
BBL027373
Synonyms: 1-(2,3,4-trihydroxyphenyl)ethanone
Smiles: CC(=O)c1ccc(c(c1O)O)O
BBL027374
Synonyms: 2-(prop-2-en-1-yl)phenol
Smiles: C=CCc1ccccc1O
BBL027375
Synonyms: 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
Smiles: Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O
BBL027376
Synonyms: 1-(3,5-dihydroxyphenyl)ethanone
Smiles: CC(=O)c1cc(O)cc(c1)O
BBL027377
Synonyms: 5-methylbenzene-1,3-diol
Smiles: Cc1cc(O)cc(c1)O
BBL027378
Synonyms: Historical
Smiles: Oc1ccc(c(c1)C(=O)C)O
BBL027379
Synonyms: 4-(2,4,4-trimethylpentan-2-yl)phenol
Smiles: CC(c1ccc(cc1)O)(CC(C)(C)C)C
BBL027380
Synonyms: 2,3,4-trimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)OC)C(=O)O
BBL027381
Synonyms: 2,4-dimethoxybenzoicacid
Smiles: COc1cc(OC)ccc1C(=O)O
BBL027382
Synonyms: 2-hydroxy-3-methoxybenzoicacid
Smiles: COc1cccc(c1O)C(=O)O
BBL027383
Synonyms: 2-hydroxy-5-methylbenzoicacid
Smiles: Cc1ccc(c(c1)C(=O)O)O
BBL027384
Synonyms: biphenyl-2-carboxylicacid
Smiles: OC(=O)c1ccccc1c1ccccc1
BBL027385
Synonyms: 4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoicacid
Smiles: CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)O
BBL027386
Synonyms: 3-hydroxy-4-methoxybenzoicacid
Smiles: COc1ccc(cc1O)C(=O)O
BBL027387
Synonyms: 3-(trifluoromethyl)benzoicacid
Smiles: OC(=O)c1cccc(c1)C(F)(F)F
BBL027388
Synonyms: 4-(dimethylamino)benzoicacid
Smiles: CN(c1ccc(cc1)C(=O)O)C
BBL027389
Synonyms: 4-ethylbenzoicacid
Smiles: CCc1ccc(cc1)C(=O)O
BBL027390
Synonyms: Historical
Smiles: OC(=O)C(=O)C
BBL027391
Synonyms: 4-chlorophenylalanine
Smiles: NC(C(=O)O)Cc1ccc(cc1)Cl
BBL027392
Synonyms: 2,6-diaminoheptanedioicacid
Smiles: NC(C(=O)O)CCCC(C(=O)O)N
BBL027393
Synonyms: methylpropanedioicacid
Smiles: CC(C(=O)O)C(=O)O
BBL027394
Synonyms: N-(2-fluorophenyl)glycine
Smiles: OC(=O)CNc1ccccc1F
BBL027395
Synonyms: (2E)-but-2-enoicacid
Smiles: C/C=C/C(=O)O
BBL027396
Synonyms: (2E,4E)-hexa-2,4-dienedioicacid
Smiles: OC(=O)/C=C/C=C/C(=O)O
BBL027398
Synonyms: 3-oxopentanedioicacid
Smiles: O=C(CC(=O)O)CC(=O)O
BBL027399
Synonyms: 3-methylbutanoicacid
Smiles: CC(CC(=O)O)C
BBL027400
Synonyms: 3,7-dimethyloct-6-enoicacid
Smiles: CC(CC(=O)O)CCC=C(C)C
BBL027401
Synonyms: 11-bromoundecanoicacid
Smiles: BrCCCCCCCCCCC(=O)O
BBL027402
Synonyms: icosanoicacid
Smiles: CCCCCCCCCCCCCCCCCCCC(=O)O
BBL027403
Synonyms: 3-(3,4-dihydroxyphenyl)propanoicacid
Smiles: OC(=O)CCc1ccc(c(c1)O)O
BBL027404
Synonyms: 4-oxopentanoicacid
Smiles: CC(=O)CCC(=O)O
BBL027405
Synonyms: 3-hydroxypropanenitrile
Smiles: OCCC#N
BBL027406
Synonyms: Allium
Smiles: OCCBr
BBL027407
Synonyms: 2-fluoroethanol
Smiles: OCCF
BBL027408
Synonyms: Historical
Smiles: CNCCO
BBL027409
Synonyms: Historical
Smiles: OCCNCC
BBL027410
Synonyms: 2-phenoxyethanol
Smiles: OCCOc1ccccc1
BBL027411
Synonyms: 2-(4-methoxyphenyl)ethanol
Smiles: OCCc1ccc(cc1)OC
BBL027412
Synonyms: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
Smiles: OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
BBL027413
Synonyms: (2E)-3-phenylprop-2-en-1-ol
Smiles: OC/C=C/c1ccccc1
BBL027414
Synonyms: (2E)-but-2-en-1-ol
Smiles: C/C=C/CO
BBL027415
Synonyms: 3-methylbut-3-en-1-ol
Smiles: CC(=C)CCO
BBL027416
Synonyms: 3-bromopropan-1-ol
Smiles: OCCCBr
BBL027417
Synonyms: 4-amino-5-hydrazinyl-4H-1,2,4-triazole-3-thiol
Smiles: Nn1c(NN)nnc1S
BBL027418
Synonyms: 5-chloro-1-phenyl-1H-tetrazole
Smiles: Clc1nnnn1c1ccccc1
BBL027419
Synonyms: N-(3-fluorophenyl)-N-(methylsulfonyl)glycine
Smiles: OC(=O)CN(S(=O)(=O)C)c1cccc(c1)F
BBL027420
Synonyms: 2-(pyrrolidin-1-yl)ethanol
Smiles: OCCN1CCCC1
BBL027421
Synonyms: 4-(pyrrolidin-1-yl)butanenitrile
Smiles: N#CCCCN1CCCC1
BBL027422
Synonyms: 1-(3-aminopropyl)pyrrolidin-2-one
Smiles: NCCCN1CCCC1=O
BBL027423
Synonyms: 1,1'-ethane-1,2-diylbis(5-oxopyrrolidine-3-carboxylicacid)
Smiles: OC(=O)C1CN(C(=O)C1)CCN1CC(CC1=O)C(=O)O
BBL027424
Synonyms: 2-(bromomethyl)-1,3-dioxolane
Smiles: BrCC1OCCO1
BBL027425
Synonyms: 2,5-dimethoxy-2,5-dihydrofuran
Smiles: COC1C=CC(O1)OC
BBL027426
Synonyms: 5-methylfuran-2-carbaldehyde
Smiles: Cc1ccc(o1)C=O
BBL027427
Synonyms: 1-(furan-2-yl)ethanone
Smiles: CC(=O)c1ccco1
BBL027428
Synonyms: 1-(5-methylfuran-2-yl)ethanone
Smiles: Cc1ccc(o1)C(=O)C
BBL027429
Synonyms: 4,7-dihydro-1,3-dioxepine
Smiles: C1OCC=CCO1
BBL027430
Synonyms: N-methylformamide
Smiles: CNC=O
BBL027431
Synonyms: 2,4,6-trimethoxybenzaldehyde
Smiles: COc1cc(OC)cc(c1C=O)OC
BBL027432
Synonyms: Allium
Smiles: O=Cc1ccccc1O
BBL027433
Synonyms: 3,5-dichloro-2-hydroxybenzaldehyde
Smiles: O=Cc1cc(Cl)cc(c1O)Cl
BBL027434
Synonyms: 2-hydroxy-5-methoxybenzaldehyde
Smiles: COc1ccc(c(c1)C=O)O
BBL027435
Synonyms: benzene-1,2-dicarbaldehyde
Smiles: O=Cc1ccccc1C=O
BBL027436
Synonyms: Allium
Smiles: COc1ccc(cc1)C=O
BBL027437
Synonyms: 4-ethoxybenzaldehyde
Smiles: CCOc1ccc(cc1)C=O
BBL027438
Synonyms: 4-butoxybenzaldehyde
Smiles: CCCCOc1ccc(cc1)C=O
BBL027439
Synonyms: 1H-indene-1,3(2H)-dione
Smiles: O=C1CC(=O)c2c1cccc2
BBL027440
Synonyms: 1,4-dimethyl-7-(propan-2-yl)azulene
Smiles: CC(c1ccc(c2c(c1)c(C)cc2)C)C
BBL027441
Synonyms: Allium
Smiles: CNC1CCCCC1
BBL027442
Synonyms: cyclohexane-1,2-diol
Smiles: OC1CCCCC1O
BBL027443
Synonyms: 1-isocyanatonaphthalene
Smiles: O=C=Nc1cccc2c1cccc2
BBL027444
Synonyms: 1-hydroxynaphthalene-2-carboxylicacid
Smiles: OC(=O)c1ccc2c(c1O)cccc2
BBL027445
Synonyms: Allium
Smiles: CC(=O)c1cccc2c1cccc2
BBL027446
Synonyms: 1-naphthalen-2-ylthiourea
Smiles: NC(=S)Nc1ccc2c(c1)cccc2
BBL027447
Synonyms: naphthalene-2-sulfonylchloride
Smiles: ClS(=O)(=O)c1ccc2c(c1)cccc2
BBL027448
Synonyms: 2-bromo-1-(naphthalen-2-yl)ethanone
Smiles: BrCC(=O)c1ccc2c(c1)cccc2
BBL027449
Synonyms: pyrene-1-carbaldehyde
Smiles: O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1
BBL027450
Synonyms: 6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
Smiles: O=C1CCCCc2c1cccc2
BBL027451
Synonyms: 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one
Smiles: Oc1cc2cccc(c(=O)c2c(c1O)O)O
BBL027452
Synonyms: cyclohepta-1,3,5-triene
Smiles: C1=CC=CC=CC1
BBL027453
Synonyms: cycloocta-1,3,5,7-tetraene
Smiles: C1=CC=CC=CC=C1
BBL027454
Synonyms: 2,2'-iminodiaceticacid
Smiles: OC(=O)CNCC(=O)O
BBL027455
Synonyms: (3,4,5-trimethoxyphenyl)aceticacid
Smiles: COc1cc(CC(=O)O)cc(c1OC)OC
BBL027456
Synonyms: (4-hydroxyphenyl)aceticacid
Smiles: OC(=O)Cc1ccc(cc1)O
BBL027457
Synonyms: 2-[(E)-2-carboxyethenyl]benzoicacid
Smiles: OC(=O)/C=C/c1ccccc1C(=O)O
BBL027458
Synonyms: pent-4-enoicacid
Smiles: C=CCCC(=O)O
BBL027459
Synonyms: nonanoicacid
Smiles: CCCCCCCCC(=O)O
BBL027460
Synonyms: (9E,12E,15E)-octadeca-9,12,15-trienoicacid
Smiles: CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O
BBL027461
Synonyms: (9E,12E)-octadeca-9,12-dienoicacid
Smiles: CCCCC/C=C/C/C=C/CCCCCCCC(=O)O
BBL027462
Synonyms: undec-10-enoicacid
Smiles: C=CCCCCCCCCC(=O)O
BBL027463
Synonyms: 4-hydroxy-4-methylpentan-2-one
Smiles: CC(=O)CC(O)(C)C
BBL027464
Synonyms: methylhydroxy(phenyl)acetate
Smiles: COC(=O)C(c1ccccc1)O
BBL027465
Synonyms: beta-hydroxyphenylalanine
Smiles: OC(C(C(=O)O)N)c1ccccc1
BBL027466
Synonyms: 2-hydroxypropanoicacid
Smiles: OC(=O)C(O)C
BBL027467
Synonyms: 3-hydroxybutanoicacid
Smiles: CC(CC(=O)O)O
BBL027468
Synonyms: (2,3-dimethoxyphenyl)methanol
Smiles: OCc1cccc(c1OC)OC
BBL027469
Synonyms: (3,4-dimethoxyphenyl)methanol
Smiles: COc1cc(CO)ccc1OC
BBL027470
Synonyms: (4-fluorophenyl)methanol
Smiles: OCc1ccc(cc1)F
BBL027471
Synonyms: (4-methoxyphenyl)methanol
Smiles: OCc1ccc(cc1)OC
BBL027472
Synonyms: 2,2,3,3-tetrafluoropropan-1-ol
Smiles: OCC(C(F)F)(F)F
BBL027473
Synonyms: 2-amino-2-methylpropane-1,3-diol
Smiles: OCC(CO)(N)C
BBL027474
Synonyms: 2-amino-2-ethylpropane-1,3-diol
Smiles: CCC(CO)(CO)N
BBL027475
Synonyms: N-benzyl-1-phenylmethanamine
Smiles: N(Cc1ccccc1)Cc1ccccc1
BBL027476
Synonyms: isothiocyanatobenzene
Smiles: S=C=Nc1ccccc1
BBL027477
Synonyms: 1-fluoro-2-isothiocyanatobenzene
Smiles: S=C=Nc1ccccc1F
BBL027478
Synonyms: 1-chloro-2-isothiocyanatobenzene
Smiles: S=C=Nc1ccccc1Cl
BBL027479
Synonyms: 1-isothiocyanato-3-(trifluoromethyl)benzene
Smiles: S=C=Nc1cccc(c1)C(F)(F)F
BBL027480
Synonyms: 1-chloro-4-isothiocyanatobenzene
Smiles: S=C=Nc1ccc(cc1)Cl
BBL027481
Synonyms: 2-isothiocyanato-2-methylpropane
Smiles: S=C=NC(C)(C)C
BBL027482
Synonyms: Allium
Smiles: CCN=C=S
BBL027483
Synonyms: Allium
Smiles: C=CCN=C=S
BBL027484
Synonyms: O,O-diethylhydrogenphosphorodithioate
Smiles: CCOP(=S)(OCC)S
BBL027485
Synonyms: 4-methoxybenzenethiol
Smiles: COc1ccc(cc1)S
BBL027486
Synonyms: 3-methylbutane-1-thiol
Smiles: SCCC(C)C
BBL027487
Synonyms: 3-(trimethoxysilyl)propane-1-thiol
Smiles: SCCC[Si](OC)(OC)OC
BBL027488
Synonyms: carbonothioyldichloride
Smiles: ClC(=S)Cl
BBL027489
Synonyms: dimethylcarbamothioicchloride
Smiles: CN(C(=S)Cl)C
BBL027490
Synonyms: 2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: N1CCc2c(C1)[nH]c1c2cccc1
BBL027491
Synonyms: dibenzo[c,e]oxepine-5,7-dione
Smiles: O=c1oc(=O)c2c(c3c1cccc3)cccc2
BBL027492
Synonyms: 4-methoxy-7-methyl-5H-furo[3,2-g]chromen-5-one
Smiles: COc1c2c(=O)cc(oc2cc2c1cco2)C
BBL027493
Synonyms: 6,9-dichloro-2-methoxyacridine
Smiles: COc1ccc2c(c1)c(Cl)c1c(n2)cc(cc1)Cl
BBL027494
Synonyms: 11,12-dihydrodibenzo[b,f]azocin-6(5H)-one
Smiles: O=C1Nc2ccccc2CCc2c1cccc2
BBL027495
Synonyms: 6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine
Smiles: C1COCCOc2ccccc2OCCOCCOCCOc2c(OCCO1)cccc2
BBL027496
Synonyms: 2-phenyloxirane
Smiles: O1CC1c1ccccc1
BBL027497
Synonyms: 1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane
Smiles: CC(=C)C1CCC2(C(C1)O2)C
BBL027498
Synonyms: 2-[(propan-2-yloxy)methyl]oxirane
Smiles: CC(OCC1OC1)C
BBL027499
Synonyms: 2,2'-[ethane-1,2-diylbis(oxymethanediyl)]dioxirane
Smiles: O(CC1OC1)CCOCC1OC1
BBL027500
Synonyms: 2-decyloxirane
Smiles: CCCCCCCCCCC1OC1
BBL027501
Synonyms: 2-hexyloxirane
Smiles: CCCCCCC1OC1
BBL027502
Synonyms: 2-benzyl-4,5-dihydro-1H-imidazole
Smiles: c1ccc(cc1)CC1=NCCN1
BBL027503
Synonyms: 2-ethyl-1H-imidazole
Smiles: CCc1ncc[nH]1
BBL027504
Synonyms: 1H-imidazole-4,5-dicarbonitrile
Smiles: N#Cc1[nH]cnc1C#N
BBL027505
Synonyms: 4,5-dichloro-1H-imidazole
Smiles: Clc1[nH]cnc1Cl
BBL027506
Synonyms: 4-nitro-1H-imidazole
Smiles: [O-][N+](=O)c1c[nH]cn1
BBL027507
Synonyms: (2E)-3-(1H-imidazol-4-yl)prop-2-enoicacid
Smiles: OC(=O)/C=C/c1c[nH]cn1
BBL027508
Synonyms: 1-(2,5-dioxoimidazolidin-4-yl)urea
Smiles: NC(=O)NC1NC(=O)NC1=O
BBL027509
Synonyms: 5,5-diphenylimidazolidine-2,4-dione
Smiles: O=C1NC(=O)NC1(c1ccccc1)c1ccccc1
BBL027510
Synonyms: 5-(chloromethyl)-1,3-oxazolidin-2-one
Smiles: ClCC1CNC(=O)O1
BBL027511
Synonyms: 4,5-dihydro-1,3-thiazole-2-thiol
Smiles: SC1=NCCS1
BBL027512
Synonyms: 1,3-thiazole
Smiles: c1nccs1
BBL027513
Synonyms: 2-bromo-1,3-thiazole
Smiles: Brc1nccs1
BBL027514
Synonyms: 2-bromo-5-nitro-1,3-thiazole
Smiles: [O-][N+](=O)c1cnc(s1)Br
BBL027515
Synonyms: 3-(furan-2-yl)propanoicacid
Smiles: OC(=O)CCc1ccco1
BBL027516
Synonyms: Historical
Smiles: COC1CCC(O1)OC
BBL027517
Synonyms: 1,3-dioxol-2-one
Smiles: O=c1occo1
BBL027518
Synonyms: 4-methyl-1,3-dioxolan-2-one
Smiles: CC1COC(=O)O1
BBL027519
Synonyms: Allium
Smiles: O=C1OCCC1Br
BBL027520
Synonyms: 5-pentyldihydrofuran-2(3H)-one
Smiles: CCCCCC1CCC(=O)O1
BBL027521
Synonyms: 5-hexyldihydrofuran-2(3H)-one
Smiles: CCCCCCC1CCC(=O)O1
BBL027522
Synonyms: dihydrothiophen-3(2H)-one
Smiles: O=C1CSCC1
BBL027523
Synonyms: 2-chlorothiophene
Smiles: Clc1cccs1
BBL027524
Synonyms: thiophene-2-carbaldehyde
Smiles: O=Cc1cccs1
BBL027525
Synonyms: 3-methylthiophene-2-carbaldehyde
Smiles: O=Cc1sccc1C
BBL027526
Synonyms: 4-chloro-1-(thiophen-2-yl)butan-1-one
Smiles: ClCCCC(=O)c1cccs1
BBL027527
Synonyms: thiophen-2-ylacetylchloride
Smiles: ClC(=O)Cc1cccs1
BBL027528
Synonyms: 2,4-dimethyltetrahydrothiophene1,1-dioxide
Smiles: CC1CC(S(=O)(=O)C1)C
BBL027529
Synonyms: 4-chlorotetrahydrothiophene-3-ol1,1-dioxide
Smiles: ClC1CS(=O)(=O)CC1O
BBL027530
Synonyms: Historical
Smiles: ClN1C(=O)CCC1=O
BBL027531
Synonyms: Allium
Smiles: C1CN=C2N(C1)CCC2
BBL027533
Synonyms: 5-fluoro-1H-indole-2-carboxylicacid
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)O
BBL027534
Synonyms: 2-(1H-indol-3-yl)ethanol
Smiles: OCCc1c[nH]c2c1cccc2
BBL027535
Synonyms: 4-chloro-1H-indole
Smiles: Clc1cccc2c1cc[nH]2
BBL027536
Synonyms: 4-methyl-1H-indole
Smiles: Cc1cccc2c1cc[nH]2
BBL027537
Synonyms: 1,3-benzoxazol-2(3H)-one
Smiles: O=c1oc2c([nH]1)cccc2
BBL027538
Synonyms: 2,3,3-trimethyl-3H-indole
Smiles: CC1=Nc2c(C1(C)C)cccc2
BBL027539
Synonyms: 1,3-benzodioxol-5-ol
Smiles: Oc1ccc2c(c1)OCO2
BBL027540
Synonyms: 5-[(1E)-prop-1-en-1-yl]-1,3-benzodioxole
Smiles: C/C=C/c1ccc2c(c1)OCO2
BBL027541
Synonyms: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
Smiles: O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2
BBL027542
Synonyms: 1-(1-benzofuran-2-yl)ethanone
Smiles: CC(=O)c1cc2c(o1)cccc2
BBL027543
Synonyms: 6-hydroxy-1,3-benzoxathiol-2-one
Smiles: Oc1ccc2c(c1)oc(=O)s2
BBL027544
Synonyms: 4,5,6,7-tetrahydro-2-benzofuran-1,3-dione
Smiles: O=C1OC(=O)C2=C1CCCC2
BBL027545
Synonyms: (3Z)-3-benzylidene-2-benzofuran-1(3H)-one
Smiles: O=C1O/C(=C\c2ccccc2)/c2c1cccc2
BBL027546
Synonyms: 1,4,5,6-tetrahydropyrimidine-2-thiol
Smiles: SC1=NCCCN1
BBL027547
Synonyms: 2,5-dimethylpiperazine
Smiles: CC1NCC(NC1)C
BBL027548
Synonyms: 1-phenylpiperazine
Smiles: N1CCN(CC1)c1ccccc1
BBL027549
Synonyms: piperazine-1-carbaldehyde
Smiles: O=CN1CCNCC1
BBL027550
Synonyms: 1-methylpiperazine
Smiles: CN1CCNCC1
BBL027551
Synonyms: Allium
Smiles: OCCN1CCNCC1
BBL027552
Synonyms: 1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Smiles: O=C1NCN(C21CCNCC2)c1ccccc1
BBL027553
Synonyms: 2,2,6,6-tetramethylpiperidin-4-amine
Smiles: NC1CC(C)(C)NC(C1)(C)C
BBL027554
Synonyms: 2-(piperidin-2-yl)ethanol
Smiles: OCCC1CCCCN1
BBL027555
Synonyms: piperidin-4-ol
Smiles: OC1CCNCC1
BBL027556
Synonyms: 6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: Cc1ccc(c(=O)[nH]1)C#N
BBL027557
Synonyms: piperidin-2-one
Smiles: O=C1CCCCN1
BBL027558
Synonyms: 1,3,5-trimethyl-1,3,5-triazinane
Smiles: CN1CN(C)CN(C1)C
BBL027559
Synonyms: Allium
Smiles: Cc1ccnc(n1)N
BBL027560
Synonyms: pyrazine
Smiles: n1ccncc1
BBL027561
Synonyms: 3-chloro-2,5-dimethylpyrazine
Smiles: Cc1cnc(c(n1)Cl)C
BBL027562
Synonyms: 4-methylpiperazin-1-amine
Smiles: CN1CCN(CC1)N
BBL027563
Synonyms: morpholin-4-amine
Smiles: NN1CCOCC1
BBL027564
Synonyms: 3-(morpholin-4-yl)propane-1,2-diol
Smiles: OCC(CN1CCOCC1)O
BBL027565
Synonyms: 3-(morpholin-4-yl)propan-1-amine
Smiles: NCCCN1CCOCC1
BBL027566
Synonyms: pyridin-3-ol1-oxide
Smiles: [O-][n+]1cccc(c1)O
BBL027567
Synonyms: 4-methylpyridine1-oxide
Smiles: [O-][n+]1ccc(cc1)C
BBL027568
Synonyms: 2-bromopyridine
Smiles: Brc1ccccn1
BBL027569
Synonyms: 2-chloropyridine
Smiles: Clc1ccccn1
BBL027570
Synonyms: 2-hydrazinylpyridine
Smiles: NNc1ccccn1
BBL027571
Synonyms: pyridin-2-ol
Smiles: Oc1ccccn1
BBL027572
Synonyms: pyridine-2,3-diol
Smiles: Oc1ncccc1O
BBL027573
Synonyms: 5-chloropyridin-2-ol
Smiles: Oc1ccc(cn1)Cl
BBL027574
Synonyms: pyridine-2-carbaldehyde
Smiles: O=Cc1ccccn1
BBL027575
Synonyms: 2,4-dimethylpyridine
Smiles: Cc1ccnc(c1)C
BBL027576
Synonyms: 2,4,6-trimethylpyridine
Smiles: Cc1cc(C)nc(c1)C
BBL027577
Synonyms: pyridin-2-ylacetonitrile
Smiles: N#CCc1ccccn1
BBL027578
Synonyms: 2-ethenylpyridine
Smiles: C=Cc1ccccn1
BBL027579
Synonyms: 1-(pyridin-2-yl)methanamine
Smiles: NCc1ccccn1
BBL027580
Synonyms: 2-(pyridin-2-yl)ethanol
Smiles: OCCc1ccccn1
BBL027581
Synonyms: 3-bromopyridine
Smiles: Brc1cccnc1
BBL027582
Synonyms: Allium
Smiles: O=Cc1cccnc1
BBL027583
Synonyms: 3,4-dimethylpyridine
Smiles: Cc1cnccc1C
BBL027584
Synonyms: 4-ethenylpyridine
Smiles: C=Cc1ccncc1
BBL027585
Synonyms: pyridazine
Smiles: c1ccnnc1
BBL027586
Synonyms: ethyl4-aminopiperidine-1-carboxylate
Smiles: CCOC(=O)N1CCC(CC1)N
BBL027587
Synonyms: piperidin-1-amine
Smiles: NN1CCCCC1
BBL027588
Synonyms: ethyl1-methylpiperidine-2-carboxylate
Smiles: CCOC(=O)C1CCCCN1C
BBL027589
Synonyms: (1-methylpiperidin-2-yl)methanol
Smiles: OCC1CCCCN1C
BBL027590
Synonyms: 1-methylpiperidin-3-ol
Smiles: CN1CCCC(C1)O
BBL027591
Synonyms: ethyl1-methylpiperidine-3-carboxylate
Smiles: CCOC(=O)C1CCCN(C1)C
BBL027592
Synonyms: (1-methylpiperidin-3-yl)methanol
Smiles: OCC1CCCN(C1)C
BBL027593
Synonyms: 1-benzylpiperidin-4-amine
Smiles: NC1CCN(CC1)Cc1ccccc1
BBL027594
Synonyms: ethyl3-(piperidin-1-yl)propanoate
Smiles: CCOC(=O)CCN1CCCCC1
BBL027595
Synonyms: 2-ethoxy-3,4-dihydro-2H-pyran
Smiles: CCOC1CCC=CO1
BBL027596
Synonyms: butyl2,2-dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylate
Smiles: CCCCOC(=O)C1=CC(=O)CC(O1)(C)C
BBL027597
Synonyms: tetrahydro-4H-pyran-4-one
Smiles: O=C1CCOCC1
BBL027598
Synonyms: 2-(chloromethyl)tetrahydro-2H-pyran
Smiles: ClCC1CCCCO1
BBL027599
Synonyms: 6-pentyltetrahydro-2H-pyran-2-one
Smiles: CCCCCC1CCCC(=O)O1
BBL027600
Synonyms: 6-heptyltetrahydro-2H-pyran-2-one
Smiles: CCCCCCCC1CCCC(=O)O1
BBL027601
Synonyms: Historical
Smiles: CC1CC(=O)OC(=O)C1
BBL027602
Synonyms: 1,2,3,4-tetrahydroquinoline
Smiles: C1CCc2c(N1)cccc2
BBL027603
Synonyms: (2,4-diaminopteridin-6-yl)methanol
Smiles: OCc1cnc2c(n1)c(N)nc(n2)N
BBL027604
Synonyms: 4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylicacid
Smiles: Cc1ccc2c(n1)ncc(c2O)C(=O)O
BBL027605
Synonyms: quinoline-2-thiol
Smiles: Sc1ccc2c(n1)cccc2
BBL027606
Synonyms: 4-hydroxyquinoline-2-carboxylicacid
Smiles: OC(=O)c1cc(O)c2c(n1)cccc2
BBL027607
Synonyms: 4-hydroxy-7-(trifluoromethyl)quinoline-3-carboxylicacid
Smiles: OC(=O)c1cnc2c(c1O)ccc(c2)C(F)(F)F
BBL027608
Synonyms: 4-chloro-7-(trifluoromethyl)quinoline
Smiles: Clc1ccnc2c1ccc(c2)C(F)(F)F
BBL027609
Synonyms: 7-chloro-4-hydrazinylquinoline
Smiles: NNc1ccnc2c1ccc(c2)Cl
BBL027610
Synonyms: 6-methoxyquinoline
Smiles: COc1ccc2c(c1)cccn2
BBL027611
Synonyms: 2,3-dihydro-1,4-benzodioxin-6-amine
Smiles: Nc1ccc2c(c1)OCCO2
BBL027612
Synonyms: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one
Smiles: Oc1ccc2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O
BBL027613
Synonyms: 2-phenyl-2,3-dihydro-4H-chromen-4-one
Smiles: O=C1CC(Oc2c1cccc2)c1ccccc1
BBL027614
Synonyms: 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol
Smiles: CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C
BBL027615
Synonyms: 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
Smiles: CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1
BBL027616
Synonyms: 4-hydroxy-2H-chromen-2-one
Smiles: O=c1cc(O)c2c(o1)cccc2
BBL027617
Synonyms: 7-amino-4-(trifluoromethyl)-2H-chromen-2-one
Smiles: Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F
BBL027618
Synonyms: 6,7-dihydroxy-4-methyl-2H-chromen-2-one
Smiles: O=c1cc(C)c2c(o1)cc(c(c2)O)O
BBL027619
Synonyms: 7-(diethylamino)-4-methyl-2H-chromen-2-one
Smiles: CCN(c1ccc2c(c1)oc(=O)cc2C)CC
BBL027620
Synonyms: 7-hydroxy-2H-chromen-2-one
Smiles: Oc1ccc2c(c1)oc(=O)cc2
BBL027621
Synonyms: 3,4-dihydro-2H-chromen-2-one
Smiles: O=C1CCc2c(O1)cccc2
BBL027622
Synonyms: Allium
Smiles: N1CCc2c(C1)cccc2
BBL027623
Synonyms: isoquinolin-5-ol
Smiles: Oc1cccc2c1ccnc2
BBL027624
Synonyms: 4-chloro-N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)aniline
Smiles: CNc1ccc(cc1C1NCCc2c1cccc2)Cl
BBL027625
Synonyms: 6-amino-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: Nc1ccc2c3c1cccc3c(=O)[nH]c2=O
BBL027626
Synonyms: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
Smiles: C1CCN2C(=NCCC2)CC1
BBL027627
Synonyms: 1,4-diazepane
Smiles: C1CNCCNC1
BBL027628
Synonyms: Allium
Smiles: CSc1ccc(cc1)C=O
BBL027629
Synonyms: (2E)-2-benzylideneoctanal
Smiles: CCCCCC/C(=C\c1ccccc1)/C=O
BBL027630
Synonyms: 2-methylundecanal
Smiles: CCCCCCCCCC(C=O)C
BBL027631
Synonyms: 3-methylbutanal
Smiles: O=CCC(C)C
BBL027632
Synonyms: Historical
Smiles: CCCCC=O
BBL027633
Synonyms: 2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene
Smiles: [O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F
BBL027634
Synonyms: methyl3,4,5-trimethoxy-2-nitrobenzoate
Smiles: COC(=O)c1cc(OC)c(c(c1[N+](=O)[O-])OC)OC
BBL027635
Synonyms: 2-nitro-4-(trifluoromethyl)aniline
Smiles: [O-][N+](=O)c1cc(ccc1N)C(F)(F)F
BBL027636
Synonyms: methyl4,5-dimethoxy-2-nitrobenzoate
Smiles: COC(=O)c1cc(OC)c(cc1[N+](=O)[O-])OC
BBL027637
Synonyms: 4-nitrobenzene-1,2-dicarboxylicacid
Smiles: OC(=O)c1cc(ccc1C(=O)O)[N+](=O)[O-]
BBL027638
Synonyms: 1-fluoro-4-nitrobenzene
Smiles: Fc1ccc(cc1)[N+](=O)[O-]
BBL027639
Synonyms: Historical
Smiles: COc1cc(ccc1N)[N+](=O)[O-]
BBL027640
Synonyms: dimethylsulfamylchloride
Smiles: CN(S(=O)(=O)Cl)C
BBL027641
Synonyms: trichloromethanesulfonylchloride
Smiles: ClS(=O)(=O)C(Cl)(Cl)Cl
BBL027642
Synonyms: propane-2-sulfonylchloride
Smiles: CC(S(=O)(=O)Cl)C
BBL027643
Synonyms: propane-1-sulfonylchloride
Smiles: CCCS(=O)(=O)Cl
BBL027644
Synonyms: 3-chloropropane-1-sulfonylchloride
Smiles: ClCCCS(=O)(=O)Cl
BBL027645
Synonyms: cyanamide
Smiles: NC#N
BBL027646
Synonyms: methylhydrazinecarboxylate
Smiles: COC(=O)NN
BBL027647
Synonyms: Historical
Smiles: CCOC(=O)NN
BBL027648
Synonyms: 2-hydrazinylethanol
Smiles: NNCCO
BBL027649
Synonyms: (2E)-2-hydrazinylidene-1,2-diphenylethanone
Smiles: N/N=C(/C(=O)c1ccccc1)\c1ccccc1
BBL027650
Synonyms: 2-bromo-4-methylaniline
Smiles: Cc1ccc(c(c1)Br)N
BBL027651
Synonyms: 2,3,5,6-tetrafluoroaniline
Smiles: Fc1cc(F)c(c(c1F)N)F
BBL027652
Synonyms: 2,6-difluoroaniline
Smiles: Fc1cccc(c1N)F
BBL027653
Synonyms: methyl2-aminobenzoate
Smiles: COC(=O)c1ccccc1N
BBL027654
Synonyms: ethyl2-aminobenzoate
Smiles: CCOC(=O)c1ccccc1N
BBL027655
Synonyms: 2,3-dimethylaniline
Smiles: Cc1c(C)cccc1N
BBL027656
Synonyms: 2-methyl-4-nitroaniline
Smiles: [O-][N+](=O)c1ccc(c(c1)C)N
BBL027657
Synonyms: (2-aminophenyl)methanol
Smiles: OCc1ccccc1N
BBL027658
Synonyms: 3,4-difluoroaniline
Smiles: Nc1ccc(c(c1)F)F
BBL027659
Synonyms: 3-aminobenzenethiol
Smiles: Nc1cccc(c1)S
BBL027660
Synonyms: 3,3'-sulfonyldianiline
Smiles: Nc1cccc(c1)S(=O)(=O)c1cccc(c1)N
BBL027661
Synonyms: 3-(methylsulfanyl)aniline
Smiles: CSc1cccc(c1)N
BBL027662
Synonyms: 5-amino-2-chlorobenzoicacid
Smiles: Nc1ccc(c(c1)C(=O)O)Cl
BBL027663
Synonyms: 2-amino-5-iodobenzoicacid
Smiles: Ic1ccc(c(c1)C(=O)O)N
BBL027664
Synonyms: 4-butoxyaniline
Smiles: CCCCOc1ccc(cc1)N
BBL027665
Synonyms: 2-amino-5-hydroxybenzoicacid
Smiles: Oc1ccc(c(c1)C(=O)O)N
BBL027666
Synonyms: N-[(4-aminophenyl)carbonyl]glycine
Smiles: O=C(c1ccc(cc1)N)NCC(=O)O
BBL027667
Synonyms: 1-(4-aminophenyl)ethanone
Smiles: CC(=O)c1ccc(cc1)N
BBL027668
Synonyms: N~5~-carbamoylornithine
Smiles: NC(=O)NCCCC(C(=O)O)N
BBL027669
Synonyms: 3-aminobenzamide
Smiles: Nc1cccc(c1)C(=O)N
BBL027670
Synonyms: 2-hydrazinyl-2-oxoacetamide
Smiles: NNC(=O)C(=O)N
BBL027671
Synonyms: 2,2,2-trifluoroacetamide
Smiles: NC(=O)C(F)(F)F
BBL027672
Synonyms: 2-methylalanine
Smiles: OC(=O)C(N)(C)C
BBL027673
Synonyms: 1-phenylethanamine
Smiles: CC(c1ccccc1)N
BBL027674
Synonyms: propane-1,2-diamine
Smiles: NCC(N)C
BBL027675
Synonyms: Allium
Smiles: CC(CCc1ccccc1)N
BBL027676
Synonyms: Allium
Smiles: CCC(N)C
BBL027677
Synonyms: 2-aminobutan-1-ol
Smiles: CCC(CO)N
BBL027678
Synonyms: 1-(2-fluorophenyl)methanamine
Smiles: NCc1ccccc1F
BBL027679
Synonyms: Allium
Smiles: NCc1ccccc1Cl
BBL027680
Synonyms: 1-(2-methoxyphenyl)methanamine
Smiles: COc1ccccc1CN
BBL027681
Synonyms: 1-(3,4-dimethoxyphenyl)methanamine
Smiles: COc1cc(CN)ccc1OC
BBL027682
Synonyms: 1-(4-chlorophenyl)methanamine
Smiles: NCc1ccc(cc1)Cl
BBL027683
Synonyms: 1-(4-methoxyphenyl)methanamine
Smiles: NCc1ccc(cc1)OC
BBL027684
Synonyms: aminomethanesulfonicacid
Smiles: NCS(=O)(=O)O
BBL027685
Synonyms: 1-aminopropan-2-ol
Smiles: CC(CN)O
BBL027686
Synonyms: 2,2-diphenylethanamine
Smiles: NCC(c1ccccc1)c1ccccc1
BBL027687
Synonyms: Allium
Smiles: NCC(C)C
BBL027688
Synonyms: N-(2-aminoethyl)acetamide
Smiles: CC(=O)NCCN
BBL027689
Synonyms: N-methylethane-1,2-diamine
Smiles: CNCCN
BBL027690
Synonyms: 2-[(2-aminoethyl)amino]ethanol
Smiles: NCCNCCO
BBL027691
Synonyms: Allium
Smiles: NCCN(C)C
BBL027692
Synonyms: Historical
Smiles: NCCN(CC)CC
BBL027693
Synonyms: 2-(2-methoxyphenyl)ethanamine
Smiles: NCCc1ccccc1OC
BBL027694
Synonyms: 2-(4-methoxyphenyl)ethanamine
Smiles: NCCc1ccc(cc1)OC
BBL027695
Synonyms: 4-(2-aminoethyl)phenol
Smiles: NCCc1ccc(cc1)O
BBL027696
Synonyms: prop-2-yn-1-amine
Smiles: NCC#C
BBL027697
Synonyms: 3,3-diphenylpropan-1-amine
Smiles: NCCC(c1ccccc1)c1ccccc1
BBL027698
Synonyms: 3-(triethoxysilyl)propan-1-amine
Smiles: NCCC[Si](OCC)(OCC)OCC
BBL027699
Synonyms: N,N-dimethylpropane-1,3-diamine
Smiles: NCCCN(C)C
BBL027700
Synonyms: Historical
Smiles: NCCCOCC
BBL027701
Synonyms: Historical
Smiles: NCCCN
BBL027702
Synonyms: 5-aminopentanoicacid
Smiles: NCCCCC(=O)O
BBL027703
Synonyms: butane-1,4-diamine
Smiles: NCCCCN
BBL027704
Synonyms: pentane-1,5-diamine
Smiles: NCCCCCN
BBL027705
Synonyms: hexane-1,6-diamine
Smiles: NCCCCCCN
BBL027706
Synonyms: nonan-1-amine
Smiles: CCCCCCCCCN
BBL027707
Synonyms: [4-(dimethylamino)phenyl](phenyl)methanone
Smiles: CN(c1ccc(cc1)C(=O)c1ccccc1)C
BBL027708
Synonyms: 1,1,3,3-tetramethylguanidine
Smiles: CN(C(=N)N(C)C)C
BBL027709
Synonyms: N,N,N',N'-tetramethylmethanediamine
Smiles: CN(CN(C)C)C
BBL027710
Synonyms: N'-benzyl-N,N-dimethylethane-1,2-diamine
Smiles: CN(CCNCc1ccccc1)C
BBL027711
Synonyms: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Smiles: COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O
BBL027712
Synonyms: dimethyl2-acetylbutanedioate
Smiles: COC(=O)CC(C(=O)OC)C(=O)C
BBL027713
Synonyms: methyl(dimethoxyphosphoryl)acetate
Smiles: COC(=O)CP(=O)(OC)OC
BBL027714
Synonyms: Historical
Smiles: COC(=O)CC(=O)CC(=O)OC
BBL027715
Synonyms: Historical
Smiles: COC(c1ccccc1)(OC)OC
BBL027716
Synonyms: 1,1-dimethoxy-N,N-dimethylmethanamine
Smiles: COC(N(C)C)OC
BBL027717
Synonyms: 2,2-dimethoxy-N-methylethanamine
Smiles: CNCC(OC)OC
BBL027718
Synonyms: N,N-dimethylprop-2-yn-1-amine
Smiles: CN(CC#C)C
BBL027719
Synonyms: (ethenylsulfonyl)ethene
Smiles: C=CS(=O)(=O)C=C
BBL027720
Synonyms: 1,2-dimethoxy-4-(prop-2-en-1-yl)benzene
Smiles: C=CCc1ccc(c(c1)OC)OC
BBL027721
Synonyms: 2-methoxy-4-(prop-2-en-1-yl)phenol
Smiles: C=CCc1ccc(c(c1)OC)O
BBL027722
Synonyms: 1-(2,4-dimethoxyphenyl)ethanone
Smiles: COc1cc(OC)ccc1C(=O)C
BBL027723
Synonyms: 1-(3-methoxyphenyl)ethanone
Smiles: COc1cccc(c1)C(=O)C
BBL027724
Synonyms: methyl2-oxopropanoate
Smiles: COC(=O)C(=O)C
BBL027725
Synonyms: Allium
Smiles: CC(=O)C(=O)C
BBL027726
Synonyms: 1-(2-methoxyphenyl)propan-2-one
Smiles: COc1ccccc1CC(=O)C
BBL027727
Synonyms: 1-(3,4-dimethoxyphenyl)propan-2-one
Smiles: COc1cc(ccc1OC)CC(=O)C
BBL027728
Synonyms: 1-(4-methoxyphenyl)propan-2-one
Smiles: COc1ccc(cc1)CC(=O)C
BBL027729
Synonyms: benzyl3-oxobutanoate
Smiles: O=C(CC(=O)C)OCc1ccccc1
BBL027730
Synonyms: 4-(4-methoxyphenyl)butan-2-one
Smiles: COc1ccc(cc1)CCC(=O)C
BBL027731
Synonyms: Historical
Smiles: CC(=O)CCC(=O)C
BBL027732
Synonyms: 4-methylpent-3-en-2-one
Smiles: CC(=CC(=O)C)C
BBL027733
Synonyms: 6-methylhept-5-en-2-one
Smiles: CC(=O)CCC=C(C)C
BBL027734
Synonyms: 3,7-dimethylocta-1,6-dien-3-ol
Smiles: C=CC(CCC=C(C)C)(O)C
BBL027735
Synonyms: (5E)-6,10-dimethylundeca-5,9-dien-2-one
Smiles: C/C(=C\CCC(=O)C)/CCC=C(C)C
BBL027736
Synonyms: 3,5-dimethylhex-1-yn-3-ol
Smiles: CC(CC(C#C)(O)C)C
BBL027737
Synonyms: ethyl2-oxopropanoate
Smiles: CCOC(=O)C(=O)C
BBL027738
Synonyms: ethyl2,4-dioxopentanoate
Smiles: CCOC(=O)C(=O)CC(=O)C
BBL027739
Synonyms: diethylbromopropanedioate
Smiles: CCOC(=O)C(C(=O)OCC)Br
BBL027740
Synonyms: Historical
Smiles: CCOC=C(C(=O)OCC)C(=O)OCC
BBL027741
Synonyms: diethyl2-acetylpentanedioate
Smiles: CCOC(=O)CCC(C(=O)OCC)C(=O)C
BBL027742
Synonyms: diethylpropanedioate
Smiles: CCOC(=O)CC(=O)OCC
BBL027743
Synonyms: ethyl3-oxo-3-phenylpropanoate
Smiles: CCOC(=O)CC(=O)c1ccccc1
BBL027744
Synonyms: ethyl5-oxohexanoate
Smiles: CCOC(=O)CCCC(=O)C
BBL027745
Synonyms: Historical
Smiles: CCOC(OCC)OCC
BBL027746
Synonyms: 3,3-diethoxyprop-1-ene
Smiles: CCOC(OCC)C=C
BBL027747
Synonyms: 1,1,3,3-tetraethoxypropane
Smiles: CCOC(CC(OCC)OCC)OCC
BBL027748
Synonyms: 1-(4-ethylphenyl)ethanone
Smiles: CCc1ccc(cc1)C(=O)C
BBL027749
Synonyms: trimethyl(prop-1-yn-1-yl)silane
Smiles: CC#C[Si](C)(C)C
BBL027750
Synonyms: (4E,6E)-2,6-dimethylocta-2,4,6-triene
Smiles: C/C=C(/C=C/C=C(C)C)\C
BBL027751
Synonyms: 1-methoxy-4-[(1E)-prop-1-en-1-yl]benzene
Smiles: C/C=C/c1ccc(cc1)OC
BBL027752
Synonyms: 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol
Smiles: C/C=C/c1ccc(c(c1)OC)O
BBL027753
Synonyms: ethyl(2E)-but-2-enoate
Smiles: CCOC(=O)/C=C/C
BBL027754
Synonyms: 1-phenylpropan-1-one
Smiles: CCC(=O)c1ccccc1
BBL027755
Synonyms: pentan-3-one
Smiles: CCC(=O)CC
BBL027756
Synonyms: Historical
Smiles: CCCNCCC
BBL027757
Synonyms: 1-phenylbutan-1-one
Smiles: CCCC(=O)c1ccccc1
BBL027758
Synonyms: Historical
Smiles: CCCC(=O)CC(=O)OCC
BBL027759
Synonyms: oct-1-ene
Smiles: CCCCCCC=C
BBL027760
Synonyms: octylacetate
Smiles: CCCCCCCCOC(=O)C
BBL027761
Synonyms: nonadecan-10-one
Smiles: CCCCCCCCCC(=O)CCCCCCCCC
BBL027762
Synonyms: bis(2-hydroxy-4-methoxyphenyl)methanone
Smiles: COc1ccc(c(c1)O)C(=O)c1ccc(cc1O)OC
BBL027763
Synonyms: N-ethyl-1,3-benzodioxol-5-amine
Smiles: CCNc1ccc2c(c1)OCO2
BBL027764
Synonyms: methyl(1-methyl-1H-pyrrol-2-yl)acetate
Smiles: COC(=O)Cc1cccn1C
BBL027765
Synonyms: 1-(2,5-dimethylthiophen-3-yl)ethanone
Smiles: Cc1sc(c(c1)C(=O)C)C
BBL027766
Synonyms: 3-(1H-imidazol-1-yl)propan-1-amine
Smiles: NCCCn1cncc1
BBL027767
Synonyms: methyldimethoxyphosphanecarboxylateoxide
Smiles: COC(=O)P(=O)(OC)OC
BBL027768
Synonyms: 3,4-difluorobenzoylchloride
Smiles: ClC(=O)c1ccc(c(c1)F)F
BBL027769
Synonyms: 2,3-dimethylbenzene-1,4-diol
Smiles: Cc1c(O)ccc(c1C)O
BBL027770
Synonyms: 4-nitro-1H-indole
Smiles: [O-][N+](=O)c1cccc2c1cc[nH]2
BBL027771
Synonyms: 3,4-dichloro-1,2,5-thiadiazole
Smiles: Clc1nsnc1Cl
BBL027772
Synonyms: 6-(chloromethyl)pyrimidine-2,4(1H,3H)-dione
Smiles: ClCc1cc(=O)[nH]c(=O)[nH]1
BBL027773
Synonyms: methyl3-aminopyrazine-2-carboxylate
Smiles: COC(=O)c1nccnc1N
BBL027774
Synonyms: 2-(bromomethyl)tetrahydro-2H-pyran
Smiles: BrCC1CCCCO1
BBL027775
Synonyms: Historical
Smiles: COCC(=O)CC(=O)OC
BBL027776
Synonyms: diethylphosphorocyanidate
Smiles: CCOP(=O)(C#N)OCC
BBL027777
Synonyms: 2,3-difluorobenzoicacid
Smiles: OC(=O)c1cccc(c1F)F
BBL027778
Synonyms: (3-methyloxetan-3-yl)methanol
Smiles: OCC1(C)COC1
BBL027779
Synonyms: (3,5-difluorophenyl)aceticacid
Smiles: OC(=O)Cc1cc(F)cc(c1)F
BBL027780
Synonyms: 4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoicacid
Smiles: OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N
BBL027781
Synonyms: 2,2',2'',2'''-{[4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diyl]dinitrilo}tetraethanol
Smiles: OCCN(c1nc(N2CCCCC2)c2c(n1)c(nc(n2)N(CCO)CCO)N1CCCCC1)CCO
BBL027782
Synonyms: 2-isocyanatobenzoylchloride
Smiles: O=C=Nc1ccccc1C(=O)Cl
BBL027783
Synonyms: [(4-methyl-2-oxo-2H-chromen-7-yl)oxy]aceticacid
Smiles: OC(=O)COc1ccc2c(c1)oc(=O)cc2C
BBL027784
Synonyms: 2-methoxydibenzo[b,d]furan-3-amine
Smiles: COc1cc2c(cc1N)oc1c2cccc1
BBL027785
Synonyms: 2-(quinolin-2-yl)-1H-indene-1,3(2H)-dione
Smiles: O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2
BBL027786
Synonyms: sulfurisocyanatidoylchloride
Smiles: O=C=NS(=O)(=O)Cl
BBL027787
Synonyms: 1-isothiocyanato-2-methoxybenzene
Smiles: S=C=Nc1ccccc1OC
BBL027788
Synonyms: butan-1-amine
Smiles: CCCCN
BBL027789
Synonyms: 4-chlorobenzene-1,2-diamine
Smiles: Clc1ccc(c(c1)N)N
BBL027790
Synonyms: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonylfluoride
Smiles: FC(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F
BBL027791
Synonyms: (3E)-5-methylhex-3-en-2-one
Smiles: CC(/C=C/C(=O)C)C
BBL027792
Synonyms: 9,10-dihydroxy-2,3-dihydroanthracene-1,4-dione
Smiles: O=C1CCC(=O)c2c1c(O)c1c(c2O)cccc1
BBL027793
Synonyms: 2-methoxydibenzo[b,d]furan
Smiles: COc1ccc2c(c1)c1ccccc1o2
BBL027794
Synonyms: 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carbonylchloride
Smiles: ClC(=O)N1c2ccccc2CCc2c1cccc2
BBL027795
Synonyms: 5-fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
Smiles: O=c1[nH]c(=O)n(cc1F)C1CCCO1
BBL027796
Synonyms: 3-(dimethylamino)-1-phenylpropan-1-onehydrochloride
Smiles: CN(CCC(=O)c1ccccc1)C.Cl
BBL027797
Synonyms: 1,3,3-trimethyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]
Smiles: CN1c2ccccc2C(C21C=Nc1c(O2)ccc2c1cccc2)(C)C
BBL027798
Synonyms: ethyldifluoroacetate
Smiles: CCOC(=O)C(F)F
BBL027799
Synonyms: ethyl4-chlorobenzoate
Smiles: CCOC(=O)c1ccc(cc1)Cl
BBL027800
Synonyms: diphenylacetylchloride
Smiles: ClC(=O)C(c1ccccc1)c1ccccc1
BBL027801
Synonyms: ethyl5-amino-1,2-oxazole-4-carboxylate
Smiles: CCOC(=O)c1cnoc1N
BBL027802
Synonyms: 4-propoxybenzaldehyde
Smiles: CCCOc1ccc(cc1)C=O
BBL027803
Synonyms: 4-(pentyloxy)benzaldehyde
Smiles: CCCCCOc1ccc(cc1)C=O
BBL027804
Synonyms: (2E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoicacid
Smiles: COc1c(/C=C/C(=O)O)ccc(c1OC)OC
BBL027805
Synonyms: 1-isothiocyanatopentane
Smiles: CCCCCN=C=S
BBL027806
Synonyms: trimethoxy[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]silane
Smiles: CO[Si](CCC1CCC2C(C1)O2)(OC)OC
BBL027807
Synonyms: ethyl4-methyl-1H-imidazole-5-carboxylate
Smiles: CCOC(=O)c1[nH]cnc1C
BBL027808
Synonyms: 5-(benzyloxy)-1H-indole-3-carbaldehyde
Smiles: O=Cc1c[nH]c2c1cc(OCc1ccccc1)cc2
BBL027809
Synonyms: 5-chloro-1H-indole-2,3-dione
Smiles: Clc1ccc2c(c1)C(=O)C(=O)N2
BBL027810
Synonyms: 1,3,5-tribenzyl-1,3,5-triazinane
Smiles: c1ccc(cc1)CN1CN(CN(C1)Cc1ccccc1)Cc1ccccc1
BBL027811
Synonyms: 3,3'-dimethylbiphenyl-4,4'-diamine
Smiles: Nc1ccc(cc1C)c1ccc(c(c1)C)N
BBL027812
Synonyms: (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one
Smiles: C/C(=C\C=C\C(=O)C)/CCC=C(C)C
BBL027813
Synonyms: 4-phenyl-3,4-dihydronaphthalen-1(2H)-one
Smiles: O=C1CCC(c2c1cccc2)c1ccccc1
BBL027814
Synonyms: 2-amino-6-fluorobenzonitrile
Smiles: N#Cc1c(N)cccc1F
BBL027815
Synonyms: trichloromethylcarbonochloridate
Smiles: ClC(=O)OC(Cl)(Cl)Cl
BBL027816
Synonyms: 1-(4-bromophenyl)-2-phenylethanone
Smiles: Brc1ccc(cc1)C(=O)Cc1ccccc1
BBL027817
Synonyms: 1-(3,5-dichloro-2-hydroxyphenyl)ethanone
Smiles: Clc1cc(Cl)c(c(c1)C(=O)C)O
BBL027818
Synonyms: 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol
Smiles: C=CCc1ccc(c(c1)c1cc(CC=C)ccc1O)O
BBL027819
Synonyms: 3',5-di(prop-2-en-1-yl)biphenyl-2,4'-diol
Smiles: C=CCc1ccc(c(c1)c1ccc(c(c1)CC=C)O)O
BBL027820
Synonyms: methylundec-10-enoate
Smiles: C=CCCCCCCCCC(=O)OC
BBL027822
Synonyms: (2E)-3-(2,4-dimethoxyphenyl)prop-2-enoicacid
Smiles: COc1cc(OC)ccc1/C=C/C(=O)O
BBL027823
Synonyms: 7-methoxy-1,3-benzodioxole-5-carbaldehyde
Smiles: COc1cc(C=O)cc2c1OCO2
BBL027824
Synonyms: 4-(1,3-benzodioxol-5-yl)butan-2-one
Smiles: CC(=O)CCc1ccc2c(c1)OCO2
BBL027825
Synonyms: 5,7-dihydroxy-4-methyl-2H-chromen-2-one
Smiles: Oc1cc(O)c2c(c1)oc(=O)cc2C
BBL027826
Synonyms: 7,8-dihydroxy-4-methyl-2H-chromen-2-one
Smiles: O=c1cc(C)c2c(o1)c(O)c(cc2)O
BBL027827
Synonyms: ethyl(4-nitrophenyl)acetate
Smiles: CCOC(=O)Cc1ccc(cc1)[N+](=O)[O-]
BBL027828
Synonyms: 2-ethoxybenzohydrazide
Smiles: CCOc1ccccc1C(=O)NN
BBL027829
Synonyms: 3,5-dibromo-2-hydroxybenzohydrazide
Smiles: NNC(=O)c1cc(Br)cc(c1O)Br
BBL027830
Synonyms: 3-amino-4-methoxy-N-phenylbenzamide
Smiles: COc1ccc(cc1N)C(=O)Nc1ccccc1
BBL027831
Synonyms: (2-hydroxy-4-methoxyphenyl)(4-methylphenyl)methanone
Smiles: COc1ccc(c(c1)O)C(=O)c1ccc(cc1)C
BBL027832
Synonyms: methyl2-(methylamino)benzoate
Smiles: COC(=O)c1ccccc1NC
BBL027833
Synonyms: methyl3-methoxybenzoate
Smiles: COc1cccc(c1)C(=O)OC
BBL027834
Synonyms: 4-acetyl-2-methoxyphenylacetate
Smiles: COc1cc(ccc1OC(=O)C)C(=O)C
BBL027835
Synonyms: 1-phenylpropan-2-one
Smiles: CC(=O)Cc1ccccc1
BBL027836
Synonyms: (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide
Smiles: COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O
BBL027837
Synonyms: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
Smiles: Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O
BBL027838
Synonyms: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
Smiles: OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1
BBL027839
Synonyms: 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one
Smiles: COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)O
BBL027840
Synonyms: 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one
Smiles: Oc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1
BBL027841
Synonyms: 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one
Smiles: OCC1Oc2ccc(cc2OC1c1ccc(c(c1)OC)O)C1Oc2cc(O)cc(c2C(=O)C1O)O
BBL027842
Synonyms: (3-bromo-4-methoxyphenyl)aceticacid
Smiles: COc1ccc(cc1Br)CC(=O)O
BBL027843
Synonyms: 1-(2-bromoethoxy)-2-methoxybenzene
Smiles: BrCCOc1ccccc1OC
BBL027844
Synonyms: 1-(4-fluorophenyl)-2-phenylethanone
Smiles: Fc1ccc(cc1)C(=O)Cc1ccccc1
BBL027845
Synonyms: (2E)-1-(4-chlorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
Smiles: COc1ccccc1/C=C/C(=O)c1ccc(cc1)Cl
BBL027846
Synonyms: (2E)-1-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one
Smiles: COc1cccc(c1OC)/C=C/C(=O)c1ccc(cc1)Cl
BBL027847
Synonyms: (2E)-1-(4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
Smiles: COc1cccc(c1)/C=C/C(=O)c1ccc(cc1)Cl
BBL027848
Synonyms: (2E)-1-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)c2ccc(cc2)Cl)cc(c1OC)OC
BBL027849
Synonyms: 1-(chloromethyl)-4-(propan-2-yl)benzene
Smiles: ClCc1ccc(cc1)C(C)C
BBL027850
Synonyms: 4-chloro-1-(4-chlorophenyl)butan-1-one
Smiles: ClCCCC(=O)c1ccc(cc1)Cl
BBL027851
Synonyms: 2-heptylcyclopentanone
Smiles: CCCCCCCC1CCCC1=O
BBL027852
Synonyms: 4,4'-cyclohexane-1,1-diyldiphenol
Smiles: Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O
BBL027853
Synonyms: 1-(4-chlorophenyl)cyclohexanecarboxylicacid
Smiles: OC(=O)C1(CCCCC1)c1ccc(cc1)Cl
BBL027854
Synonyms: 3,3,5-trimethylcyclohexanol
Smiles: CC1CC(O)CC(C1)(C)C
BBL027855
Synonyms: 3-(triethoxysilyl)propanenitrile
Smiles: CCO[Si](OCC)(OCC)CCC#N
BBL027856
Synonyms: 2-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)phenol
Smiles: Oc1ccccc1/N=C/c1ccc(cc1)N(C)C
BBL027857
Synonyms: 3-methylbutyl2-hydroxybenzoate
Smiles: CC(CCOC(=O)c1ccccc1O)C
BBL027859
Synonyms: 3-(4-methoxyphenoxy)propanoicacid
Smiles: COc1ccc(cc1)OCCC(=O)O
BBL027860
Synonyms: 4-[(2,6-dimethylphenyl)amino]-4-oxobutanoicacid
Smiles: O=C(Nc1c(C)cccc1C)CCC(=O)O
BBL027861
Synonyms: 4-(2-hydroxyethyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: OCCC1C(=NNC1=O)C
BBL027862
Synonyms: 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonylchloride
Smiles: Clc1ccccc1c1noc(c1C(=O)Cl)C
BBL027863
Synonyms: 2-(3-chloropropyl)-2-(4-fluorophenyl)-1,3-dioxolane
Smiles: ClCCCC1(OCCO1)c1ccc(cc1)F
BBL027864
Synonyms: (2E)-3-[4-(dimethylamino)phenyl]-1-(furan-2-yl)prop-2-en-1-one
Smiles: CN(c1ccc(cc1)/C=C/C(=O)c1ccco1)C
BBL027865
Synonyms: 4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione
Smiles: O=C(C(F)(F)F)CC(=O)c1ccco1
BBL027866
Synonyms: 4-(2-bromoethoxy)benzaldehyde
Smiles: BrCCOc1ccc(cc1)C=O
BBL027867
Synonyms: N-(chloroacetyl)glycine
Smiles: OC(=O)CNC(=O)CCl
BBL027868
Synonyms: 1-isothiocyanato-4-(propan-2-yl)benzene
Smiles: CC(c1ccc(cc1)N=C=S)C
BBL027869
Synonyms: 1-isothiocyanato-2-methylpropane
Smiles: CC(CN=C=S)C
BBL027870
Synonyms: 1-isothiocyanato-3-methoxypropane
Smiles: COCCCN=C=S
BBL027871
Synonyms: 1-(3-chlorophenyl)thiourea
Smiles: NC(=S)Nc1cccc(c1)Cl
BBL027872
Synonyms: 3,4-dimethoxy-6-methyl-5,7,8,15-tetrahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one
Smiles: COc1c(OC)ccc2c1CN(C)CCc1c(C(=O)C2)cc2c(c1)OCO2
BBL027873
Synonyms: methyl9-(oxiran-2-yl)nonanoate
Smiles: COC(=O)CCCCCCCCC1CO1
BBL027874
Synonyms: ethyl1-oxaspiro[2.5]octane-2-carboxylate
Smiles: CCOC(=O)C1OC21CCCCC2
BBL027875
Synonyms: 2,4-dimethyl-1H-imidazole
Smiles: Cc1[nH]cc(n1)C
BBL027876
Synonyms: 5-amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile
Smiles: N#CCc1n[nH]c(c1C#N)N
BBL027877
Synonyms: phenyl(thiophen-2-yl)methanone
Smiles: O=C(c1cccs1)c1ccccc1
BBL027878
Synonyms: 4-oxo-4-(thiophen-2-yl)butanoicacid
Smiles: OC(=O)CCC(=O)c1cccs1
BBL027879
Synonyms: 1-(2-phenylethyl)-1H-pyrrole-2,5-dione
Smiles: O=C1C=CC(=O)N1CCc1ccccc1
BBL027880
Synonyms: 4-(2,5-dioxopyrrolidin-1-yl)benzoicacid
Smiles: O=C1CCC(=O)N1c1ccc(cc1)C(=O)O
BBL027881
Synonyms: 2-(1H-benzimidazol-2-yl)phenol
Smiles: Oc1ccccc1c1nc2c([nH]1)cccc2
BBL027882
Synonyms: 5-methyl-1H-indole-3-carbaldehyde
Smiles: O=Cc1c[nH]c2c1cc(C)cc2
BBL027883
Synonyms: (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)aceticacid
Smiles: OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
BBL027884
Synonyms: (2E)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)prop-2-en-1-one
Smiles: Cc1ccc(cc1)C(=O)/C=C/c1ccc2c(c1)OCO2
BBL027885
Synonyms: (2E)-3-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)prop-2-en-1-one
Smiles: Fc1ccc(cc1)C(=O)/C=C/c1ccc2c(c1)OCO2
BBL027886
Synonyms: 4-phenyl-1,2,3,6-tetrahydropyridine
Smiles: N1CCC(=CC1)c1ccccc1
BBL027887
Synonyms: 1-(2,4-dimethylphenyl)piperazine
Smiles: Cc1ccc(c(c1)C)N1CCNCC1
BBL027888
Synonyms: 5-methyldihydropyrimidine-2,4(1H,3H)-dione
Smiles: CC1CNC(=O)NC1=O
BBL027889
Synonyms: 2-ethenyl-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine
Smiles: C=CC1=NC(CC(O1)C)(C)C
BBL027890
Synonyms: methyl3-(morpholin-4-yl)propanoate
Smiles: COC(=O)CCN1CCOCC1
BBL027891
Synonyms: 4-(morpholin-4-yl)butanenitrile
Smiles: N#CCCCN1CCOCC1
BBL027892
Synonyms: N-(pyridin-3-ylcarbonyl)glycine
Smiles: OC(=O)CNC(=O)c1cccnc1
BBL027893
Synonyms: 4-(piperidin-1-yl)butanenitrile
Smiles: N#CCCCN1CCCCC1
BBL027894
Synonyms: 3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl2-O-(6-deoxyhexopyranosyl)hexopyranoside
Smiles: OCC1OC(Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O
BBL027895
Synonyms: 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylicacid
Smiles: O=c1cc(C)c(c(o1)C)C(=O)O
BBL027897
Synonyms: ethyl8-chloro-4-hydroxyquinoline-3-carboxylate
Smiles: CCOC(=O)c1cnc2c(c1O)cccc2Cl
BBL027898
Synonyms: 4-hydroxy-6-methoxyquinoline-3-carboxylicacid
Smiles: COc1ccc2c(c1)c(O)c(cn2)C(=O)O
BBL027899
Synonyms: 4-hydroxy-7-methoxyquinoline-3-carboxylicacid
Smiles: COc1ccc2c(c1)ncc(c2O)C(=O)O
BBL027900
Synonyms: 4-hydroxy-7,8-dimethylquinoline-3-carboxylicacid
Smiles: OC(=O)c1cnc2c(c1O)ccc(c2C)C
BBL027901
Synonyms: 7-hydroxy-4,8-dimethyl-2H-chromen-2-one
Smiles: O=c1cc(C)c2c(o1)c(C)c(cc2)O
BBL027902
Synonyms: pentanehydrazide
Smiles: CCCCC(=O)NN
BBL027903
Synonyms: 2-amino-4-(butan-2-yl)phenol
Smiles: CCC(c1ccc(c(c1)N)O)C
BBL027904
Synonyms: 4-(benzyloxy)aniline
Smiles: Nc1ccc(cc1)OCc1ccccc1
BBL027905
Synonyms: alanylserine
Smiles: OCC(C(=O)O)NC(=O)C(N)C
BBL027906
Synonyms: alanylasparagine
Smiles: NC(=O)CC(C(=O)O)NC(=O)C(N)C
BBL027907
Synonyms: S-(2-aminoethyl)hydrogensulfurothioate
Smiles: NCCSS(=O)(=O)O
BBL027908
Synonyms: (2E)-3-(2,3-dimethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
Smiles: COc1cccc(c1OC)/C=C/C(=O)c1ccc(cc1)C
BBL027909
Synonyms: (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
Smiles: COc1ccc(cc1/C=C/C(=O)c1ccc(cc1)C)OC
BBL027910
Synonyms: N-(4-acetyl-3-hydroxyphenyl)acetamide
Smiles: CC(=O)Nc1ccc(c(c1)O)C(=O)C
BBL027911
Synonyms: 1-(3-fluoro-4-methoxyphenyl)ethanone
Smiles: COc1ccc(cc1F)C(=O)C
BBL027912
Synonyms: ethyl2-acetylpent-4-enoate
Smiles: CC(=O)C(C(=O)OCC)CC=C
BBL027913
Synonyms: 3-(2,3-dimethoxyphenyl)propanoicacid
Smiles: COc1c(CCC(=O)O)cccc1OC
BBL027914
Synonyms: (4Z)-2-phenyl-4-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-oxazol-5(4H)-one
Smiles: O=C1OC(=N/C/1=C\C=C\c1ccccc1)c1ccccc1
BBL027915
Synonyms: 6-nitro-2-benzofuran-1(3H)-one
Smiles: [O-][N+](=O)c1ccc2c(c1)C(=O)OC2
BBL027916
Synonyms: 6-(1,3-thiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylicacid
Smiles: O=C(C1CC=CCC1C(=O)O)Nc1nccs1
BBL027917
Synonyms: 4-chloro-8-methoxyquinoline
Smiles: COc1cccc2c1nccc2Cl
BBL027918
Synonyms: 3-hydroxy-6H-benzo[c]chromen-6-one
Smiles: Oc1ccc2c(c1)oc(=O)c1c2cccc1
BBL027919
Synonyms: 3-amino-4-chlorobenzamide
Smiles: NC(=O)c1ccc(c(c1)N)Cl
BBL027920
Synonyms: 2-(trifluoromethoxy)aniline
Smiles: Nc1ccccc1OC(F)(F)F
BBL027921
Synonyms: N-(4-chlorophenyl)-2-cyanoacetamide
Smiles: N#CCC(=O)Nc1ccc(cc1)Cl
BBL027922
Synonyms: 3,4,6a,10-tetrahydroxy-6a,7-dihydroindeno[2,1-c]chromen-9(6H)-one
Smiles: O=C1C=C2CC3(C(=C2C=C1O)c1ccc(c(c1OC3)O)O)O
BBL027923
Synonyms: 2-hexylcyclopent-2-en-1-one
Smiles: CCCCCCC1=CCCC1=O
BBL027924
Synonyms: 4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
Smiles: CC(=C)C1CCC2=CCCC(C2(C1)C)C
BBL027925
Synonyms: 3,3,5-trimethylcyclohexylacetate
Smiles: CC1CC(OC(=O)C)CC(C1)(C)C
BBL027926
Synonyms: morpholine-4-carbonylchloride
Smiles: ClC(=O)N1CCOCC1
BBL027927
Synonyms: 1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Smiles: CNC1CCc2c(c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC
BBL027928
Synonyms: 1-cyclopropylmethanamine
Smiles: NCC1CC1
BBL027929
Synonyms: N-carbamoylalanine
Smiles: NC(=O)NC(C(=O)O)C
BBL027930
Synonyms: 7-hydroxy-3-phenyl-2H-chromen-2-one
Smiles: Oc1ccc2c(c1)oc(=O)c(c2)c1ccccc1
BBL027931
Synonyms: (2E)-3-phenylprop-2-en-1-yl(2E)-3-phenylprop-2-enoate
Smiles: O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1
BBL027932
Synonyms: Allium
Smiles: CC(N=C=S)C
BBL027933
Synonyms: 3-methyl-4-nitro-1H-pyrazole
Smiles: [O-][N+](=O)c1c[nH]nc1C
BBL027934
Synonyms: 1-(prop-2-en-1-yl)-1H-imidazole
Smiles: C=CCn1cncc1
BBL027935
Synonyms: 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)alanine
Smiles: NC(C(=O)O)Cc1c[nH]c2c1cccn2
BBL027936
Synonyms: Historical
Smiles: CC(N1CCC(=O)CC1)C
BBL027937
Synonyms: 2-(pyridin-4-yl)ethanamine
Smiles: NCCc1ccncc1
BBL027938
Synonyms: 7-chloro-4-hydroxyquinoline-3-carboxylicacid
Smiles: Clc1ccc2c(c1)ncc(c2O)C(=O)O
BBL027939
Synonyms: alanylmethionine
Smiles: CSCCC(C(=O)O)NC(=O)C(N)C
BBL027940
Synonyms: 4-methoxybenzylacetate
Smiles: COc1ccc(cc1)COC(=O)C
BBL027941
Synonyms: Historical
Smiles: ICCC(C)C
BBL027942
Synonyms: 4-(trifluoromethoxy)benzonitrile
Smiles: N#Cc1ccc(cc1)OC(F)(F)F
BBL027943
Synonyms: 4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: Cc1cc(C)[nH]c(=O)c1C#N
BBL027944
Synonyms: ethyl2-(acetyloxy)-3-oxobutanoate
Smiles: CCOC(=O)C(C(=O)C)OC(=O)C
BBL027945
Synonyms: 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline
Smiles: COc1cc2C(=NCCc2cc1OC)C
BBL027946
Synonyms: 1-isothiocyanato-3-methoxybenzene
Smiles: S=C=Nc1cccc(c1)OC
BBL027947
Synonyms: 1,3,5-tri(propan-2-yl)-1,3,5-triazinane
Smiles: CC(N1CN(CN(C1)C(C)C)C(C)C)C
BBL027948
Synonyms: 2-tert-butyl-4-methoxyphenol
Smiles: COc1ccc(c(c1)C(C)(C)C)O
BBL027949
Synonyms: 3-chloro-2-hydroxypropyl2-methylprop-2-enoate
Smiles: CC(=C)C(=O)OCC(CCl)O
BBL027950
Synonyms: 2-(piperazin-1-yl)pyrazine
Smiles: N1CCN(CC1)c1nccnc1
BBL027951
Synonyms: 2-hydroxy-3-methylbenzaldehyde
Smiles: O=Cc1cccc(c1O)C
BBL027952
Synonyms: 1-bromo-3-(chloromethyl)benzene
Smiles: ClCc1cccc(c1)Br
BBL027953
Synonyms: 1-bromo-4-(chloromethyl)benzene
Smiles: ClCc1ccc(cc1)Br
BBL027954
Synonyms: N-[4-(chloroacetyl)phenyl]acetamide
Smiles: ClCC(=O)c1ccc(cc1)NC(=O)C
BBL027955
Synonyms: isothiocyanatocyclopentane
Smiles: S=C=NC1CCCC1
BBL027956
Synonyms: [4-(propan-2-yl)phenyl]acetonitrile
Smiles: CC(c1ccc(cc1)CC#N)C
BBL027957
Synonyms: 3-phenylprop-2-yn-1-ol
Smiles: OCC#Cc1ccccc1
BBL027958
Synonyms: methyl5-acetyl-2-hydroxybenzoate
Smiles: COC(=O)c1cc(ccc1O)C(=O)C
BBL027959
Synonyms: 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
Smiles: CC1CCc2c(N1)ccc(c2)F
BBL027960
Synonyms: 2-fluoro-6-(trifluoromethyl)benzoicacid
Smiles: OC(=O)c1c(F)cccc1C(F)(F)F
BBL027961
Synonyms: [4-(propan-2-yl)phenyl]aceticacid
Smiles: CC(c1ccc(cc1)CC(=O)O)C
BBL027962
Synonyms: 2,4-difluoro-1-isothiocyanatobenzene
Smiles: S=C=Nc1ccc(cc1F)F
BBL027963
Synonyms: methyl2-isothiocyanatobenzoate
Smiles: S=C=Nc1ccccc1C(=O)OC
BBL027964
Synonyms: 4-chloro-2-isothiocyanato-1-methoxybenzene
Smiles: COc1ccc(cc1N=C=S)Cl
BBL027965
Synonyms: 2-isothiocyanatobutane
Smiles: CC(N=C=S)CC
BBL027966
Synonyms: 1-(isothiocyanatomethyl)-4-methoxybenzene
Smiles: COc1ccc(cc1)CN=C=S
BBL027967
Synonyms: 1-(isothiocyanatomethyl)-4-methylbenzene
Smiles: S=C=NCc1ccc(cc1)C
BBL027968
Synonyms: 1-(2-methylphenyl)thiourea
Smiles: NC(=S)Nc1ccccc1C
BBL027969
Synonyms: 1-(4-hydroxyphenyl)thiourea
Smiles: NC(=S)Nc1ccc(cc1)O
BBL027970
Synonyms: 5-(isothiocyanatomethyl)-1,3-benzodioxole
Smiles: S=C=NCc1ccc2c(c1)OCO2
BBL027971
Synonyms: 4-(2-isothiocyanatoethyl)morpholine
Smiles: S=C=NCCN1CCOCC1
BBL027972
Synonyms: 4-(3-isothiocyanatopropyl)morpholine
Smiles: S=C=NCCCN1CCOCC1
BBL027973
Synonyms: (2-fluorophenyl)hydrazine
Smiles: NNc1ccccc1F
BBL027974
Synonyms: 4-(trifluoromethoxy)aniline
Smiles: FC(Oc1ccc(cc1)N)(F)F
BBL027975
Synonyms: 4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene
Smiles: S=C=NCCc1ccc(c(c1)OC)OC
BBL027976
Synonyms: 3-(trifluoromethoxy)aniline
Smiles: Nc1cccc(c1)OC(F)(F)F
BBL027977
Synonyms: 1-chloro-1,1-difluoropentane-2,4-dione
Smiles: O=C(C(Cl)(F)F)CC(=O)C
BBL027978
Synonyms: 1,1-diphenylprop-2-yn-1-ol
Smiles: C#CC(c1ccccc1)(c1ccccc1)O
BBL027979
Synonyms: 9-(trifluoromethyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one
Smiles: O=c1cc(c2c(o1)c1CCCN3c1c(c2)CCC3)C(F)(F)F
BBL027980
Synonyms: N-benzylethane-1,2-diamine
Smiles: NCCNCc1ccccc1
BBL027981
Synonyms: 2-chloro-3-(trifluoromethyl)pyridine
Smiles: Clc1ncccc1C(F)(F)F
BBL027982
Synonyms: 2-fluoro-6-methoxybenzonitrile
Smiles: COc1cccc(c1C#N)F
BBL027983
Synonyms: 4-(trifluoromethoxy)benzenesulfonylchloride
Smiles: FC(Oc1ccc(cc1)S(=O)(=O)Cl)(F)F
BBL027984
Synonyms: 1-(trimethylsilyl)methanamine
Smiles: NC[Si](C)(C)C
BBL027985
Synonyms: 2-amino-2-methylpropanenitrile
Smiles: N#CC(N)(C)C
BBL027986
Synonyms: 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoicacid
Smiles: OC(=O)CCN1C(=O)C=CC1=O
BBL027987
Synonyms: 2,6,6-trimethylcyclohex-2-ene-1,4-dione
Smiles: O=C1C=C(C)C(=O)C(C1)(C)C
BBL027988
Synonyms: 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanoicacid
Smiles: OC(=O)CCCN1C(=O)C=CC1=O
BBL027989
Synonyms: 3-(dimethylamino)-2,2-dimethylpropanal
Smiles: O=CC(CN(C)C)(C)C
BBL027990
Synonyms: methyl2,4-dioxopentanoate
Smiles: COC(=O)C(=O)CC(=O)C
BBL027991
Synonyms: 6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: Cc1cc(O)[nH]c(=O)c1C#N
BBL027992
Synonyms: 4-(4-chlorophenoxy)aniline
Smiles: Nc1ccc(cc1)Oc1ccc(cc1)Cl
BBL027993
Synonyms: propan-2-yl3-oxobutanoate
Smiles: CC(=O)CC(=O)OC(C)C
BBL027994
Synonyms: 2,2-diethoxyacetamide
Smiles: CCOC(C(=O)N)OCC
BBL027995
Synonyms: 4-(4-methoxyphenoxy)aniline
Smiles: COc1ccc(cc1)Oc1ccc(cc1)N
BBL027996
Synonyms: 2-sulfanylpyrimidin-4-ol
Smiles: Oc1ccnc(n1)S
BBL027997
Synonyms: 1,1-diphenylhydrazine
Smiles: NN(c1ccccc1)c1ccccc1
BBL027998
Synonyms: 3-aminodihydrofuran-2(3H)-one
Smiles: O=C1OCCC1N
BBL027999
Synonyms: 5-amino-2,6-dihydroxypyrimidine-4-carboxylicacid
Smiles: Oc1nc(O)c(c(n1)C(=O)O)N
BBL028000
Synonyms: 1,1'-(4-chlorobutane-1,1-diyl)bis(4-fluorobenzene)
Smiles: ClCCCC(c1ccc(cc1)F)c1ccc(cc1)F
BBL028001
Synonyms: 6-(2-hydroxyethyl)-5-methyl-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: OCCc1c(=O)nc2n(c1C)CCS2
BBL028002
Synonyms: methylserinate
Smiles: COC(=O)C(CO)N
BBL028003
Synonyms: O-methylhydroxylamine
BBL028004
Synonyms: methyl1-benzyl-4-oxopiperidine-3-carboxylate
Smiles: COC(=O)C1CN(CCC1=O)Cc1ccccc1
BBL028005
Synonyms: 2-methyl-1-(3-methylphenyl)piperazine
Smiles: Cc1cccc(c1)N1CCNCC1C
BBL028006
Synonyms: N-[(4-aminophenyl)sulfonyl]benzamide
Smiles: Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1
BBL028007
Synonyms: 1-(4-chlorophenyl)cyclopentanecarbonylchloride
Smiles: Clc1ccc(cc1)C1(CCCC1)C(=O)Cl
BBL028008
Synonyms: 5-methyl-2-(propan-2-yl)cyclohexyl2-aminobenzoate
Smiles: CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C
BBL028009
Synonyms: 3,7-dimethyloctane-1,7-diol
Smiles: OCCC(CCCC(O)(C)C)C
BBL028010
Synonyms: 3-methylhept-1-yn-3-ol
Smiles: CC(C#C)(CCCC)O
BBL028011
Synonyms: 4-phenylbut-3-yn-2-ol
Smiles: CC(C#Cc1ccccc1)O
BBL028012
Synonyms: 1,2-dimethyl-5-nitro-1H-imidazole
Smiles: [O-][N+](=O)c1cnc(n1C)C
BBL028013
Synonyms: Historical
Smiles: COc1ccc(c(c1)N)n1cccc1
BBL028014
Synonyms: 1H,1'H-2,2'-bibenzimidazole
Smiles: c1ccc2c(c1)[nH]c(n2)c1nc2c([nH]1)cccc2
BBL028015
Synonyms: N,N-dimethyl-2-(piperidin-2-yl)ethanamine
Smiles: CN(CCC1CCCCN1)C
BBL028016
Synonyms: 4-aminopyrimidine-5-carboxylicacid
Smiles: OC(=O)c1cncnc1N
BBL028017
Synonyms: quinoline-5-carboxylicacid
Smiles: OC(=O)c1cccc2c1cccn2
BBL028018
Synonyms: 3-benzyl-7-hydroxy-4-methyl-2H-chromen-2-one
Smiles: Oc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1
BBL028019
Synonyms: N-phenylpropane-1,3-diamine
Smiles: NCCCNc1ccccc1
BBL028020
Synonyms: 3,7-dimethylocta-1,6-dien-3-ylpropanoate
Smiles: CCC(=O)OC(CCC=C(C)C)(C=C)C
BBL028021
Synonyms: 1-(5-bromo-1H-indol-3-yl)ethanone
Smiles: Brc1ccc2c(c1)c(c[nH]2)C(=O)C
BBL028022
Synonyms: 5-nitropyrimidine-2,4-diol
Smiles: Oc1ncc(c(n1)O)[N+](=O)[O-]
BBL028023
Synonyms: 11-phenylundecanoicacid
Smiles: OC(=O)CCCCCCCCCCc1ccccc1
BBL028024
Synonyms: ethyl11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate
Smiles: CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4
BBL028025
Synonyms: 3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCN1C(=S)SCC1=O
BBL028026
Synonyms: 7-(diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-2H-chromen-2-one
Smiles: CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC
BBL028027
Synonyms: triethoxy(3-isocyanatopropyl)silane
Smiles: CCO[Si](OCC)(OCC)CCCN=C=O
BBL028028
Synonyms: 3-chloro-5,5-dimethylcyclohex-2-en-1-one
Smiles: ClC1=CC(=O)CC(C1)(C)C
BBL028029
Synonyms: 1,3-dimethyl-1H-pyrazol-5-amine
Smiles: Cc1nn(c(c1)N)C
BBL028030
Synonyms: 3,5-dimethyl-1,2-oxazole-4-carboxylicacid
Smiles: OC(=O)c1c(C)noc1C
BBL028031
Synonyms: 4,5-dichloro-2-methylpyridazin-3(2H)-one
Smiles: Cn1ncc(c(c1=O)Cl)Cl
BBL028032
Synonyms: 1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)ethanone
Smiles: COc1c(O)c(C(=O)C)c(c2c1occ2)OC
BBL028033
Synonyms: 2-pentylpyridine
Smiles: CCCCCc1ccccn1
BBL028034
Synonyms: 5-phenylcyclohexane-1,3-dione
Smiles: O=C1CC(CC(=O)C1)c1ccccc1
BBL028035
Synonyms: 1-(2-isothiocyanatoethyl)cyclohexene
Smiles: S=C=NCCC1=CCCCC1
BBL028036
Synonyms: propan-2-yl4-chloro-3-oxobutanoate
Smiles: ClCC(=O)CC(=O)OC(C)C
BBL028037
Synonyms: 2-bromo-1-(4-chlorophenyl)-2-phenylethanone
Smiles: Clc1ccc(cc1)C(=O)C(c1ccccc1)Br
BBL028038
Synonyms: methyl2,4-dihydroxy-3-methylbenzoate
Smiles: COC(=O)c1ccc(c(c1O)C)O
BBL028039
Synonyms: 5-methyl-3-phenyl-1,2-oxazole-4-carbonylchloride
Smiles: ClC(=O)c1c(C)onc1c1ccccc1
BBL028040
Synonyms: [4-(trifluoromethoxy)phenoxy]aceticacid
Smiles: OC(=O)COc1ccc(cc1)OC(F)(F)F
BBL028041
Synonyms: 4-(propan-2-yloxy)benzaldehyde
Smiles: O=Cc1ccc(cc1)OC(C)C
BBL028042
Synonyms: 4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine
Smiles: [O-][N+](=O)c1cc(ccc1N1CCOCC1)C(F)(F)F
BBL028043
Synonyms: 5-methyl-2-phenyl-2H-1,2,3-triazole-4-carbonylchloride
Smiles: ClC(=O)c1nn(nc1C)c1ccccc1
BBL028044
Synonyms: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonylchloride
Smiles: Clc1cccc(c1c1noc(c1C(=O)Cl)C)Cl
BBL028045
Synonyms: 8-(chloromethyl)-6-fluoro-4H-1,3-benzodioxine
Smiles: ClCc1cc(F)cc2c1OCOC2
BBL028046
Synonyms: 7-hydroxy-4-propyl-2H-chromen-2-one
Smiles: CCCc1cc(=O)oc2c1ccc(c2)O
BBL028047
Synonyms: 2-chloro-4,6-dimethyl-5-nitropyridine-3-carbonitrile
Smiles: N#Cc1c(Cl)nc(c(c1C)[N+](=O)[O-])C
BBL028048
Synonyms: 2,6-dichloro-4-methylpyridine-3-carbonitrile
Smiles: N#Cc1c(C)cc(nc1Cl)Cl
BBL028049
Synonyms: 6-(dimethylamino)-2-fluoro-3-formylbenzonitrile
Smiles: N#Cc1c(F)c(C=O)ccc1N(C)C
BBL028050
Synonyms: (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one
Smiles: C=CCCC(=O)/C=C/C1C(=CCCC1(C)C)C
BBL028051
Synonyms: (3E)-4-[4-(dimethylamino)phenyl]but-3-en-2-one
Smiles: CC(=O)/C=C/c1ccc(cc1)N(C)C
BBL028052
Synonyms: 3-(piperazin-1-yl)phenol
Smiles: Oc1cccc(c1)N1CCNCC1
BBL028053
Synonyms: 2,4-dimethyl-1,3-thiazole-5-carboxylicacid
Smiles: Cc1nc(c(s1)C(=O)O)C
BBL028054
Synonyms: 2-phenoxyethanamine
Smiles: NCCOc1ccccc1
BBL028055
Synonyms: 2-phenyl-1H-benzimidazole-5-sulfonicacid
Smiles: OS(=O)(=O)c1ccc2c(c1)nc([nH]2)c1ccccc1
BBL028056
Synonyms: (5-oxo-2-thioxo-1,3-thiazolidin-3-yl)aceticacid
Smiles: OC(=O)CN1CC(=O)SC1=S
BBL028057
Synonyms: N-methyltetrahydrothiophen-3-amine1,1-dioxide
Smiles: CNC1CCS(=O)(=O)C1
BBL028058
Synonyms: 5-amino-1,3-dihydro-2H-benzimidazol-2-one
Smiles: Nc1ccc2c(c1)[nH]c(=O)[nH]2
BBL028059
Synonyms: N-[3-(trimethoxysilyl)propyl]aniline
Smiles: CO[Si](CCCNc1ccccc1)(OC)OC
BBL028060
Synonyms: N,N-dimethyl-3-(trimethoxysilyl)propan-1-amine
Smiles: CO[Si](CCCN(C)C)(OC)OC
BBL028061
Synonyms: (3-bromopropyl)(trimethoxy)silane
Smiles: BrCCC[Si](OC)(OC)OC
BBL028062
Synonyms: 2-[(2-methylacryloyl)oxy]ethyl3-oxobutanoate
Smiles: CC(=O)CC(=O)OCCOC(=O)C(=C)C
BBL028063
Synonyms: 2-(acetylamino)-2-deoxyhexopyranosyl-(1->4)-2-(acetylamino)-2-deoxyhexopyranosyl-(1->4)-2-(acetylamino)-2-deoxyhexopyranose
Smiles: OCC1OC(OC2C(CO)OC(C(C2O)NC(=O)C)O)C(C(C1OC1OC(CO)C(C(C1NC(=O)C)O)O)O)NC(=O)C
BBL028064
Synonyms: 6-chloropyrazin-2-amine
Smiles: Nc1cncc(n1)Cl
BBL028065
Synonyms: 4-amino-6-tert-butyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Smiles: CSc1nnc(c(=O)n1N)C(C)(C)C
BBL028066
Synonyms: 2-[(2-methylpropoxy)methyl]oxirane
Smiles: CC(COCC1CO1)C
BBL028067
Synonyms: 2-benzylbutanedioicacid
Smiles: OC(=O)C(Cc1ccccc1)CC(=O)O
BBL028068
Synonyms: 3-aminodihydrothiophen-2(3H)-one
Smiles: O=C1SCCC1N
BBL028069
Synonyms: diethyl2-formylbutanedioate
Smiles: CCOC(=O)CC(C(=O)OCC)C=O
BBL028070
Synonyms: 6-(benzyloxy)-1H-indole-3-carbaldehyde
Smiles: O=Cc1c[nH]c2c1ccc(c2)OCc1ccccc1
BBL028071
Synonyms: N,3-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine2-oxide
Smiles: ClCCNP1(=O)OCCCN1CCCl
BBL028072
Synonyms: 5-ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCCC(C1(CC)C(=O)NC(=O)NC1=O)C
BBL028073
Synonyms: N-carbamoylphenylalanine
Smiles: OC(=O)C(Cc1ccccc1)NC(=O)N
BBL028074
Synonyms: N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide
Smiles: CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1
BBL028075
Synonyms: 2,5-dibromo-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
Smiles: OC1=C(Br)C(=O)C(=C(C1=O)Br)O
BBL028076
Synonyms: 4-hydroxybutan-2-one
Smiles: CC(=O)CCO
BBL028077
Synonyms: pentachlorobenzenethiol
Smiles: Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl
BBL028078
Synonyms: 4-(propan-2-yloxy)aniline
Smiles: CC(Oc1ccc(cc1)N)C
BBL028079
Synonyms: 2-hexylcyclopentanone
Smiles: CCCCCCC1CCCC1=O
BBL028080
Synonyms: 3-aminocyclohexanecarboxylicacid
Smiles: NC1CCCC(C1)C(=O)O
BBL028081
Synonyms: 5-hydroxy-1H,3H-benzo[de]isochromene-1,3-dione
Smiles: Oc1cc2cccc3c2c(c1)C(=O)OC3=O
BBL028082
Synonyms: 1-ethylpiperazine
Smiles: CCN1CCNCC1
BBL028083
Synonyms: dimethylN-(thioxomethylidene)aspartate
Smiles: S=C=NC(C(=O)OC)CC(=O)OC
BBL028084
Synonyms: methylN-(thioxomethylidene)methioninate
Smiles: CSCCC(C(=O)OC)N=C=S
BBL028085
Synonyms: 1-(4-methoxybenzyl)thiourea
Smiles: COc1ccc(cc1)CNC(=S)N
BBL028086
Synonyms: 7-methoxy-1-benzofuran-2-carboxylicacid
Smiles: COc1cccc2c1oc(c2)C(=O)O
BBL028087
Synonyms: 1-(bromomethyl)-4-(trifluoromethoxy)benzene
Smiles: BrCc1ccc(cc1)OC(F)(F)F
BBL028088
Synonyms: 2-fluoro-5-(trifluoromethyl)benzaldehyde
Smiles: O=Cc1cc(ccc1F)C(F)(F)F
BBL028089
Synonyms: Historical
Smiles: NCC1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C
BBL028090
Synonyms: 5-methyl-2-(propan-2-yl)cyclohexanone
Smiles: CC1CCC(C(=O)C1)C(C)C
BBL028091
Synonyms: 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
Smiles: CNCC(c1ccc(c(c1)O)O)O
BBL028092
Synonyms: 3-[1-hydroxy-2-(methylamino)ethyl]phenol
Smiles: CNCC(c1cccc(c1)O)O
BBL028093
Synonyms: Historical
Smiles: NC(=N)NCCCC(C(=O)O)N
BBL028094
Synonyms: (1E)-cyclododecene
Smiles: C1CCCCCC=CCCCC1
BBL028095
Synonyms: 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoicacid
Smiles: OC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
BBL028096
Synonyms: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
Smiles: OC1CC2C(C1(C)CC2)(C)C
BBL028097
Synonyms: hydroxy(phenyl)aceticacid
Smiles: OC(c1ccccc1)C(=O)O
BBL028098
Synonyms: 2-amino-1-phenylethanone
Smiles: NCC(=O)c1ccccc1
BBL028099
Synonyms: 1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene
Smiles: C/C=C/c1cc(OC)c(cc1OC)OC
BBL028100
Synonyms: 2,3-dimethoxystrychnidin-10-one
Smiles: COc1cc2c(cc1OC)N1C3C42CCN2C4CC4C3C(CC1=O)OCC=C4C2
BBL028101
Synonyms: 2-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: On1c(=O)c2cccc3c2c(c1=O)ccc3
BBL028102
Synonyms: 6-chloro-4-hydroxyquinoline-3-carboxylicacid
Smiles: Clc1ccc2c(c1)c(O)c(cn2)C(=O)O
BBL028103
Synonyms: 2-chloro-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile
Smiles: COCc1c([N+](=O)[O-])c(C)nc(c1C#N)Cl
BBL028104
Synonyms: 3-(1-methylpyrrolidin-2-yl)pyridine
Smiles: CN1CCCC1c1cccnc1
BBL028105
Synonyms: N,N'-dipropan-2-ylcarbodiimide
Smiles: CC(N=C=NC(C)C)C
BBL028106
Synonyms: potassium1H-indol-3-ylacetate
Smiles: [O-]C(=O)Cc1c[nH]c2c1cccc2.[K+]
BBL028107
Synonyms: pteridine-2,4-diol
Smiles: Oc1nc2nccnc2c(n1)O
BBL028108
Synonyms: hexadecanehydrazide
Smiles: CCCCCCCCCCCCCCCC(=O)NN
BBL028109
Synonyms: (2Z)-2-hydrazinylidene-3-methyl-2,3-dihydro-1,3-benzothiazole
Smiles: N/N=c/1\sc2c(n1C)cccc2
BBL028110
Synonyms: 4-hydroxypyridine-2,6-dicarboxylicacid
Smiles: Oc1cc(nc(c1)C(=O)O)C(=O)O
BBL028111
Synonyms: 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC1(C(=O)NC(=O)NC1=O)c1ccccc1
BBL028112
Synonyms: 20-oxopregn-5-en-3-ylacetate
Smiles: CC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(=O)C)C)C1)C
BBL028113
Synonyms: 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylicacid
Smiles: O=C(OC1CC(O)(CC(C1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
BBL028114
Synonyms: 17-hydroxyandrostan-3-one
Smiles: O=C1CCC2(C(C1)CCC1C2CCC2(C1CCC2O)C)C
BBL028115
Synonyms: 7-hydroxy-2-oxo-2H-chromen-6-ylhexopyranoside
Smiles: OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(C(C1O)O)O
BBL028116
Synonyms: hexopyranuronicacid
Smiles: OC1OC(C(=O)O)C(C(C1O)O)O
BBL028117
Synonyms: 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol
Smiles: OCC(C(C(Cn1c2cc(C)c(cc2nc2c1nc(=O)[nH]c2=O)C)O)O)O