Product OPENEYE NAME: 4-aminobenzenethiol
CAS Name: 4-aminobenzenethiol
IUPAC NAME: 4-aminobenzenethiol
SYSTEMATIC NAME: 4-azanylbenzenethiol
MOLECULAR FORMULA: C6H7NS
MOLECULAR WEIGHT: 125.19148
SMILES: C1=CC(=CC=C1N)S
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Product OPENEYE NAME: 3-methylcyclohex-2-en-1-one
CAS Name: 3-methyl-1-cyclohex-2-enone
IUPAC NAME: 3-methylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-methylcyclohex-2-en-1-one
MOLECULAR FORMULA: C7H10O
MOLECULAR WEIGHT: 110.1537
SMILES: CC1=CC(=O)CCC1
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Product OPENEYE NAME: 4-hydroxy-1H-pyrimidin-6-one
CAS Name: 4-hydroxy-1H-pyrimidin-6-one
IUPAC NAME: 4-hydroxy-1H-pyrimidin-6-one
SYSTEMATIC NAME: 4-oxidanyl-1H-pyrimidin-6-one
MOLECULAR FORMULA: C4H4N2O2
MOLECULAR WEIGHT: 112.08676
SMILES: C1=C(N=CNC1=O)O
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Product OPENEYE NAME: 3,4-dichloropyrrole-2,5-dione
CAS Name: 3,4-dichloropyrrole-2,5-dione
IUPAC NAME: 3,4-dichloropyrrole-2,5-dione
SYSTEMATIC NAME: 3,4-bis(chloranyl)pyrrole-2,5-dione
MOLECULAR FORMULA: C4HCl2NO2
MOLECULAR WEIGHT: 165.96224
SMILES: C1(=C(C(=O)NC1=O)Cl)Cl
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Product OPENEYE NAME: 1-(5-methyl-2-furyl)ethanone
CAS Name: 1-(5-methyl-2-furanyl)ethanone
IUPAC NAME: 1-(5-methylfuran-2-yl)ethanone
SYSTEMATIC NAME: 1-(5-methylfuran-2-yl)ethanone
MOLECULAR FORMULA: C7H8O2
MOLECULAR WEIGHT: 124.13722
SMILES: CC1=CC=C(O1)C(=O)C
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Product OPENEYE NAME: (2-methylcyclohexyl)methanol
CAS Name: (2-methylcyclohexyl)methanol
IUPAC NAME: (2-methylcyclohexyl)methanol
SYSTEMATIC NAME: (2-methylcyclohexyl)methanol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CC1CCCCC1CO
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Product OPENEYE NAME: methylsulfinylbenzene
CAS Name: methylsulfinylbenzene
IUPAC NAME: methylsulfinylbenzene
SYSTEMATIC NAME: methylsulfinylbenzene
MOLECULAR FORMULA: C7H8OS
MOLECULAR WEIGHT: 140.20282
SMILES: CS(=O)C1=CC=CC=C1
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Product OPENEYE NAME: 4-fluorobenzonitrile
CAS Name: 4-fluorobenzonitrile
IUPAC NAME: 4-fluorobenzonitrile
SYSTEMATIC NAME: 4-fluoranylbenzenecarbonitrile
MOLECULAR FORMULA: C7H4FN
MOLECULAR WEIGHT: 121.111763
SMILES: C1=CC(=CC=C1C#N)F
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Product OPENEYE NAME: 5-methyl-5-nitro-1,3-dioxane
CAS Name: 5-methyl-5-nitro-1,3-dioxane
IUPAC NAME: 5-methyl-5-nitro-1,3-dioxane
SYSTEMATIC NAME: 5-methyl-5-nitro-1,3-dioxane
MOLECULAR FORMULA: C5H9NO4
MOLECULAR WEIGHT: 147.12926
SMILES: CC1(COCOC1)[N+](=O)[O-]
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Product OPENEYE NAME: 2-methoxy-5-methyl-phenol
CAS Name: 2-methoxy-5-methylphenol
IUPAC NAME: 2-methoxy-5-methylphenol
SYSTEMATIC NAME: 2-methoxy-5-methyl-phenol
MOLECULAR FORMULA: C8H10O2
MOLECULAR WEIGHT: 138.1638
SMILES: CC1=CC(=C(C=C1)OC)O
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Product OPENEYE NAME: N-(2-oxotetrahydrothiophen-3-yl)acetamide
CAS Name: N-(2-oxo-3-thiolanyl)acetamide
IUPAC NAME: N-(2-oxothiolan-3-yl)acetamide
SYSTEMATIC NAME: N-(2-oxidanylidenethiolan-3-yl)ethanamide
MOLECULAR FORMULA: C6H9NO2S
MOLECULAR WEIGHT: 159.20616
SMILES: CC(=O)NC1CCSC1=O
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Product OPENEYE NAME: 3-methyl-3-azoniabicyclo[3.2.2]nonane iodide
CAS Name: 3-methyl-3-azoniabicyclo[3.2.2]nonane iodide
IUPAC NAME: 3-methyl-3-azoniabicyclo[3.2.2]nonane iodide
SYSTEMATIC NAME: 3-methyl-3-azoniabicyclo[3.2.2]nonane iodide
MOLECULAR FORMULA: C9H18IN
MOLECULAR WEIGHT: 267.15039
SMILES: C[NH+]1CC2CCC(C1)CC2.[I-]
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Product OPENEYE NAME: 3-methyl-3-azabicyclo[3.2.2]nonane
CAS Name: 3-methyl-3-azabicyclo[3.2.2]nonane
IUPAC NAME: 3-methyl-3-azabicyclo[3.2.2]nonane
SYSTEMATIC NAME: 3-methyl-3-azabicyclo[3.2.2]nonane
MOLECULAR FORMULA: C9H17N
MOLECULAR WEIGHT: 139.23798
SMILES: CN1CC2CCC(C1)CC2
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Product OPENEYE NAME: 2-fluoroethyl(phenyl)ammonium chloride
CAS Name: 2-fluoroethyl(phenyl)ammonium chloride
IUPAC NAME: 2-fluoroethyl(phenyl)azanium chloride
SYSTEMATIC NAME: 2-fluoranylethyl(phenyl)azanium chloride
MOLECULAR FORMULA: C8H11ClFN
MOLECULAR WEIGHT: 175.631043
SMILES: C1=CC=C(C=C1)[NH2+]CCF.[Cl-]
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Product OPENEYE NAME: N-(2-fluoroethyl)aniline
CAS Name: N-(2-fluoroethyl)aniline
IUPAC NAME: N-(2-fluoroethyl)aniline
SYSTEMATIC NAME: N-(2-fluoranylethyl)aniline
MOLECULAR FORMULA: C8H10FN
MOLECULAR WEIGHT: 139.170103
SMILES: C1=CC=C(C=C1)NCCF
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Product OPENEYE NAME: 1,3,3-trimethylnorbornan-2-one
CAS Name: 2,2,4-trimethyl-3-bicyclo[2.2.1]heptanone
IUPAC NAME: 2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: 2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: CC1(C2CCC(C2)(C1=O)C)C
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Product OPENEYE NAME: 1H-quinoxalin-2-one
CAS Name: 1H-quinoxalin-2-one
IUPAC NAME: 1H-quinoxalin-2-one
SYSTEMATIC NAME: 1H-quinoxalin-2-one
MOLECULAR FORMULA: C8H6N2O
MOLECULAR WEIGHT: 146.14604
SMILES: C1=CC=C2C(=C1)NC(=O)C=N2
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Product OPENEYE NAME: 1-ethylpropylbenzene
CAS Name: pentan-3-ylbenzene
IUPAC NAME: pentan-3-ylbenzene
SYSTEMATIC NAME: pentan-3-ylbenzene
MOLECULAR FORMULA: C11H16
MOLECULAR WEIGHT: 148.24474
SMILES: CCC(CC)C1=CC=CC=C1
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Product OPENEYE NAME: 3-phenylbut-2-enal
CAS Name: 3-phenyl-2-butenal
IUPAC NAME: 3-phenylbut-2-enal
SYSTEMATIC NAME: 3-phenylbut-2-enal
MOLECULAR FORMULA: C10H10O
MOLECULAR WEIGHT: 146.1858
SMILES: CC(=CC=O)C1=CC=CC=C1
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