Product OPENEYE NAME: 2-(oxiran-2-yl)oxirane
CAS Name: 2-(2-oxiranyl)oxirane
IUPAC NAME: 2-(oxiran-2-yl)oxirane
SYSTEMATIC NAME: 2-(oxiran-2-yl)oxirane
MOLECULAR FORMULA: C4H6O2
MOLECULAR WEIGHT: 86.08924
SMILES: C1C(O1)C2CO2
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Product OPENEYE NAME: 2,2,3-trimethylpentane
CAS Name: 2,2,3-trimethylpentane
IUPAC NAME: 2,2,3-trimethylpentane
SYSTEMATIC NAME: 2,2,3-trimethylpentane
MOLECULAR FORMULA: C8H18
MOLECULAR WEIGHT: 114.22852
SMILES: CCC(C)C(C)(C)C
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Product OPENEYE NAME: (4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
CAS Name: (4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
IUPAC NAME: (4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
SYSTEMATIC NAME: (4S,4aR,5S,5aR,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-5,10,11,12a-tetrakis(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
MOLECULAR FORMULA: C22H24N2O8
MOLECULAR WEIGHT: 444.43456
SMILES: C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C(N)O)C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O
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Product OPENEYE NAME: N-[4-(4-aminophenyl)sulfonylphenyl]acetamide
CAS Name: N-[4-(4-aminophenyl)sulfonylphenyl]acetamide
IUPAC NAME: N-[4-(4-aminophenyl)sulfonylphenyl]acetamide
SYSTEMATIC NAME: N-[4-(4-aminophenyl)sulfonylphenyl]ethanamide
MOLECULAR FORMULA: C14H14N2O3S
MOLECULAR WEIGHT: 290.33756
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N
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Product OPENEYE NAME: 2-(4-fluorophenyl)-2-methyl-1,3-dithiolane
CAS Name: 2-(4-fluorophenyl)-2-methyl-1,3-dithiolane
IUPAC NAME: 2-(4-fluorophenyl)-2-methyl-1,3-dithiolane
SYSTEMATIC NAME: 2-(4-fluorophenyl)-2-methyl-1,3-dithiolane
MOLECULAR FORMULA: C10H11FS2
MOLECULAR WEIGHT: 214.322743
SMILES: CC1(SCCS1)C2=CC=C(C=C2)F
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Product OPENEYE NAME: 1-(3-amino-4-methyl-phenyl)sulfonyl-3-cyclohexyl-urea
CAS Name: 1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea
IUPAC NAME: 1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea
SYSTEMATIC NAME: 1-(3-azanyl-4-methyl-phenyl)sulfonyl-3-cyclohexyl-urea
MOLECULAR FORMULA: C14H21N3O3S
MOLECULAR WEIGHT: 311.39984
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2)N
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Product OPENEYE NAME: 2,3-dimethylpentane
CAS Name: 2,3-dimethylpentane
IUPAC NAME: 2,3-dimethylpentane
SYSTEMATIC NAME: 2,3-dimethylpentane
MOLECULAR FORMULA: C7H16
MOLECULAR WEIGHT: 100.20194
SMILES: CCC(C)C(C)C
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Product OPENEYE NAME: 3-methylpentan-2-ol
CAS Name: 3-methyl-2-pentanol
IUPAC NAME: 3-methylpentan-2-ol
SYSTEMATIC NAME: 3-methylpentan-2-ol
MOLECULAR FORMULA: C6H14O
MOLECULAR WEIGHT: 102.17476
SMILES: CCC(C)C(C)O
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Product OPENEYE NAME: 3-methylpentan-2-one
CAS Name: 3-methyl-2-pentanone
IUPAC NAME: 3-methylpentan-2-one
SYSTEMATIC NAME: 3-methylpentan-2-one
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CCC(C)C(=O)C
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Product OPENEYE NAME: 2,3-dichloropropanoic acid
CAS Name: 2,3-dichloropropanoic acid
IUPAC NAME: 2,3-dichloropropanoic acid
SYSTEMATIC NAME: 2,3-bis(chloranyl)propanoic acid
MOLECULAR FORMULA: C3H4Cl2O2
MOLECULAR WEIGHT: 142.96866
SMILES: C(C(C(=O)O)Cl)Cl
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Product OPENEYE NAME: 2-methylpentan-3-ol
CAS Name: 2-methyl-3-pentanol
IUPAC NAME: 2-methylpentan-3-ol
SYSTEMATIC NAME: 2-methylpentan-3-ol
MOLECULAR FORMULA: C6H14O
MOLECULAR WEIGHT: 102.17476
SMILES: CCC(C(C)C)O
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Product OPENEYE NAME: 2-methylpentan-3-one
CAS Name: 2-methyl-3-pentanone
IUPAC NAME: 2-methylpentan-3-one
SYSTEMATIC NAME: 2-methylpentan-3-one
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CCC(=O)C(C)C
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Product OPENEYE NAME: 2-hydroxybutanoic acid
CAS Name: 2-hydroxybutanoic acid
IUPAC NAME: 2-hydroxybutanoic acid
SYSTEMATIC NAME: 2-oxidanylbutanoic acid
MOLECULAR FORMULA: C4H8O3
MOLECULAR WEIGHT: 104.10452
SMILES: CCC(C(=O)O)O
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Product OPENEYE NAME: 3-amino-2-hydroxy-propanoic acid
CAS Name: 3-amino-2-hydroxypropanoic acid
IUPAC NAME: 3-amino-2-hydroxypropanoic acid
SYSTEMATIC NAME: 3-azanyl-2-oxidanyl-propanoic acid
MOLECULAR FORMULA: C3H7NO3
MOLECULAR WEIGHT: 105.09258
SMILES: C(C(C(=O)O)O)N
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Product OPENEYE NAME: 2-bromo-3-methyl-butanoic acid
CAS Name: 2-bromo-3-methylbutanoic acid
IUPAC NAME: 2-bromo-3-methylbutanoic acid
SYSTEMATIC NAME: 2-bromanyl-3-methyl-butanoic acid
MOLECULAR FORMULA: C5H9BrO2
MOLECULAR WEIGHT: 181.02776
SMILES: CC(C)C(C(=O)O)Br
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Product OPENEYE NAME: 2,3,4-trimethylpentane
CAS Name: 2,3,4-trimethylpentane
IUPAC NAME: 2,3,4-trimethylpentane
SYSTEMATIC NAME: 2,3,4-trimethylpentane
MOLECULAR FORMULA: C8H18
MOLECULAR WEIGHT: 114.22852
SMILES: CC(C)C(C)C(C)C
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Product OPENEYE NAME: 2,3,4-trimethylpent-2-ene
CAS Name: 2,3,4-trimethyl-2-pentene
IUPAC NAME: 2,3,4-trimethylpent-2-ene
SYSTEMATIC NAME: 2,3,4-trimethylpent-2-ene
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CC(C)C(=C(C)C)C
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Product OPENEYE NAME: 2,4-dimethylpentan-3-one
CAS Name: 2,4-dimethyl-3-pentanone
IUPAC NAME: 2,4-dimethylpentan-3-one
SYSTEMATIC NAME: 2,4-dimethylpentan-3-one
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CC(C)C(=O)C(C)C
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Product OPENEYE NAME: 3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
CAS Name: 3-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
IUPAC NAME: 3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
SYSTEMATIC NAME: 10,13-dimethyl-3-oxidanyl-17-(2-oxidanylethanoyl)-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
MOLECULAR FORMULA: C21H32O4
MOLECULAR WEIGHT: 348.47638
SMILES: CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4C(=O)CO)C)O
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Product OPENEYE NAME: (8R,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CAS Name: (8R,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
IUPAC NAME: (8R,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SYSTEMATIC NAME: (8R,9S,10R,13S,14S)-10,13-dimethyl-4-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
MOLECULAR FORMULA: C19H26O3
MOLECULAR WEIGHT: 302.40794
SMILES: C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O
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Product OPENEYE NAME: (2S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CAS Name: (2S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (2S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (2S,5S,8R,9S,10S,13S,14S,17S)-2-(hydroxymethyl)-10,13-dimethyl-17-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)CO)C
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Product OPENEYE NAME: (5S,8R,9S,10S,13S,14S,17S)-2-(hydroxymethyl)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CAS Name: (5S,8R,9S,10S,13S,14S,17S)-2-(hydroxymethyl)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
IUPAC NAME: (5S,8R,9S,10S,13S,14S,17S)-2-(hydroxymethyl)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (5S,8R,9S,10S,13S,14S,17S)-2-(hydroxymethyl)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C20H32O2
MOLECULAR WEIGHT: 304.46688
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(CC(=CC4)CO)C
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Product OPENEYE NAME: [2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate
CAS Name: acetic acid [2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-(10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C23H34O4
MOLECULAR WEIGHT: 374.51366
SMILES: CC(=O)OCC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
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