Product OPENEYE NAME: 2-ethyl-3-oxo-butanoic acid
CAS Name: 2-ethyl-3-oxobutanoic acid
IUPAC NAME: 2-ethyl-3-oxobutanoic acid
SYSTEMATIC NAME: 2-ethyl-3-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C6H10O3
MOLECULAR WEIGHT: 130.1418
SMILES: CCC(C(=O)C)C(=O)O
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Product OPENEYE NAME: [5-hydroxy-6-[2-hydroxy-3-[[5-[[2-hydroxy-7-[3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxy-tetrahydropyran-2-yl]oxy-8-methyl-4-oxo-chromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-4-oxo-chromen-7-yl]oxy-3-met
CAS Name: 5-methyl-1H-pyrrole-2-carboxylic acid [5-hydroxy-6-[[2-hydroxy-3-[[[5-[[[2-hydroxy-7-[[3-hydroxy-5-methoxy-6,6-dimethyl-4-[(5-methyl-1H-pyrrol-2-yl)-oxomethoxy]-2-oxanyl]oxy]-8-methyl-4-oxo-1-benzopyran-3-yl]amino]-oxomethyl]-4-methyl-1H-pyrrol-3-yl]-oxom
IUPAC NAME: [5-hydroxy-6-[2-hydroxy-3-[[5-[[2-hydroxy-7-[3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-4-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-4-oxochromen-7-yl]oxy-3-methoxy-2,2-dimet
SYSTEMATIC NAME: [3-methoxy-6-[3-[[5-[[7-[5-methoxy-6,6-dimethyl-4-[(5-methyl-1H-pyrrol-2-yl)carbonyloxy]-3-oxidanyl-oxan-2-yl]oxy-8-methyl-2-oxidanyl-4-oxidanylidene-chromen-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbonylamino]-8-methyl-2-oxidanyl-4-oxidanylidene-chrome
MOLECULAR FORMULA: C55H59N5O20
MOLECULAR WEIGHT: 1110.07846
SMILES: CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=O)C(=C(O4)O)NC(=O)C5=CNC(=C5C)C(=O)NC6=C(OC7=C(C6=O)C=CC(=C7C)OC8C(C(C(C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)O)C)O
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Product OPENEYE NAME: 3-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]-N-methyl-propanamide
CAS Name: 3-[4-[3-(2-chloro-9-thioxanthenylidene)propyl]-1-piperazinyl]-N-methylpropanamide
IUPAC NAME: 3-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]-N-methylpropanamide
SYSTEMATIC NAME: 3-[4-[3-(2-chloranylthioxanthen-9-ylidene)propyl]piperazin-1-yl]-N-methyl-propanamide
MOLECULAR FORMULA: C24H28ClN3OS
MOLECULAR WEIGHT: 442.01662
SMILES: CNC(=O)CCN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
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Product OPENEYE NAME: 1-bromononadecane
CAS Name: 1-bromononadecane
IUPAC NAME: 1-bromononadecane
SYSTEMATIC NAME: 1-bromanylnonadecane
MOLECULAR FORMULA: C19H39Br
MOLECULAR WEIGHT: 347.41696
SMILES: CCCCCCCCCCCCCCCCCCCBr
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Product OPENEYE NAME: butane-1,2,3-triol
CAS Name: butane-1,2,3-triol
IUPAC NAME: butane-1,2,3-triol
SYSTEMATIC NAME: butane-1,2,3-triol
MOLECULAR FORMULA: C4H10O3
MOLECULAR WEIGHT: 106.1204
SMILES: CC(C(CO)O)O
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Product OPENEYE NAME: 3-methoxybutyl acetate
CAS Name: acetic acid 3-methoxybutyl ester
IUPAC NAME: 3-methoxybutyl acetate
SYSTEMATIC NAME: 3-methoxybutyl ethanoate
MOLECULAR FORMULA: C7H14O3
MOLECULAR WEIGHT: 146.18426
SMILES: CC(CCOC(=O)C)OC
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Product OPENEYE NAME: 2-[(2-furylmethyldisulfanyl)methyl]furan
CAS Name: 2-[(2-furanylmethyldisulfanyl)methyl]furan
IUPAC NAME: 2-[(furan-2-ylmethyldisulfanyl)methyl]furan
SYSTEMATIC NAME: 2-[(furan-2-ylmethyldisulfanyl)methyl]furan
MOLECULAR FORMULA: C10H10O2S2
MOLECULAR WEIGHT: 226.3152
SMILES: C1=COC(=C1)CSSCC2=CC=CO2
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Product OPENEYE NAME: fluoren-9-imine
CAS Name: 9-fluorenimine
IUPAC NAME: fluoren-9-imine
SYSTEMATIC NAME: fluoren-9-imine
MOLECULAR FORMULA: C13H9N
MOLECULAR WEIGHT: 179.21726
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2=N
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Product OPENEYE NAME: 5,6-dihydroxy-3-oxo-cyclohepta-1,4,6-triene-1-carboxylic acid
CAS Name: 5,6-dihydroxy-3-oxo-1-cyclohepta-1,4,6-trienecarboxylic acid
IUPAC NAME: 5,6-dihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
SYSTEMATIC NAME: 5,6-bis(oxidanyl)-3-oxidanylidene-cyclohepta-1,4,6-triene-1-carboxylic acid
MOLECULAR FORMULA: C8H6O5
MOLECULAR WEIGHT: 182.13024
SMILES: C1=C(C=C(C(=CC1=O)O)O)C(=O)O
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Product OPENEYE NAME: (3-benzoyloxiran-2-yl)-phenyl-methanone
CAS Name: (3-benzoyl-2-oxiranyl)-phenylmethanone
IUPAC NAME: (3-benzoyloxiran-2-yl)-phenylmethanone
SYSTEMATIC NAME: phenyl-[3-(phenylcarbonyl)oxiran-2-yl]methanone
MOLECULAR FORMULA: C16H12O3
MOLECULAR WEIGHT: 252.26468
SMILES: C1=CC=C(C=C1)C(=O)C2C(O2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 3-[(5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(5R,10S,12R,13S,14S,17R)-10,13-dimethyl-12,14-bis(oxidanyl)-3-oxidanylidene-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C23H32O5
MOLECULAR WEIGHT: 388.49718
SMILES: C[C@]12CCC(=O)C[C@H]1CCC3C2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O
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Product OPENEYE NAME: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)butan-1-amine
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-butanamine
IUPAC NAME: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)butan-1-amine
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)butan-1-amine
MOLECULAR FORMULA: C13H19NO2
MOLECULAR WEIGHT: 221.29546
SMILES: CCCCNCC1COC2=CC=CC=C2O1
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Product OPENEYE NAME: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-propan-1-amine
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-1-propanamine
IUPAC NAME: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylpropan-1-amine
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-propan-1-amine
MOLECULAR FORMULA: C13H19NO2
MOLECULAR WEIGHT: 221.29546
SMILES: CC(C)CNCC1COC2=CC=CC=C2O1
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Product OPENEYE NAME: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pentan-1-amine
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pentanamine
IUPAC NAME: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pentan-1-amine
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pentan-1-amine
MOLECULAR FORMULA: C14H21NO2
MOLECULAR WEIGHT: 235.32204
SMILES: CCCCCNCC1COC2=CC=CC=C2O1
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Product OPENEYE NAME: 2-(2-methyl-1,3-benzodioxol-2-yl)acetic acid
CAS Name: 2-(2-methyl-1,3-benzodioxol-2-yl)acetic acid
IUPAC NAME: 2-(2-methyl-1,3-benzodioxol-2-yl)acetic acid
SYSTEMATIC NAME: 2-(2-methyl-1,3-benzodioxol-2-yl)ethanoic acid
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: CC1(OC2=CC=CC=C2O1)CC(=O)O
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