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MOLECULAR FORMULA: C27H31NO4
MOLECULAR WEIGHT: 433.53934
SMILES: C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@@H]([C@H]1O)OC5=C(C=C4)OCC7=CC=CC=C7)O
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MOLECULAR FORMULA: C27H29NO3
MOLECULAR WEIGHT: 415.52406
SMILES: C1C[C@]23[C@H]4CC5=C6[C@@]2(CCN4CC7CC7)[C@H]([C@H]1O3)OC6=C(C=C5)OCC8=CC=CC=C8
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MOLECULAR FORMULA: C42H41NO4
MOLECULAR WEIGHT: 623.77924
SMILES: C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@@H]([C@H]1OCC7=C8C=CC=CC8=CC9=CC=CC=C97)OC5=C(C=C4)OCC1=CC=CC=C1)O
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MOLECULAR FORMULA: C42H41NO4
MOLECULAR WEIGHT: 623.77924
SMILES: C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@@H]([C@H]1O)OC5=C(C=C4)OCC7=CC=CC=C7)OCC8=C9C=CC=CC9=CC1=CC=CC=C18
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Product OPENEYE NAME: 3-methyl-5-(N-phenylanilino)-1,3,4-oxadiazol-2-one
CAS Name: 3-methyl-5-(N-phenylanilino)-1,3,4-oxadiazol-2-one
IUPAC NAME: 3-methyl-5-(N-phenylanilino)-1,3,4-oxadiazol-2-one
SYSTEMATIC NAME: 5-(diphenylamino)-3-methyl-1,3,4-oxadiazol-2-one
MOLECULAR FORMULA: C15H13N3O2
MOLECULAR WEIGHT: 267.28262
SMILES: CN1C(=O)OC(=N1)N(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 4-ethoxy-5-methyl-2-phenyl-thiazole
CAS Name: 4-ethoxy-5-methyl-2-phenylthiazole
IUPAC NAME: 4-ethoxy-5-methyl-2-phenyl-1,3-thiazole
SYSTEMATIC NAME: 4-ethoxy-5-methyl-2-phenyl-1,3-thiazole
MOLECULAR FORMULA: C12H13NOS
MOLECULAR WEIGHT: 219.30272
SMILES: CCOC1=C(SC(=N1)C2=CC=CC=C2)C
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Product OPENEYE NAME: 3,3-dibromoazocan-2-one
CAS Name: 3,3-dibromo-2-azocanone
IUPAC NAME: 3,3-dibromoazocan-2-one
SYSTEMATIC NAME: 3,3-bis(bromanyl)azocan-2-one
MOLECULAR FORMULA: C7H11Br2NO
MOLECULAR WEIGHT: 284.97634
SMILES: C1CCC(C(=O)NCC1)(Br)Br
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Product OPENEYE NAME: 2-[2-(methylamino)ethylamino]cyclohepta-2,4,6-trien-1-one
CAS Name: 2-[2-(methylamino)ethylamino]-1-cyclohepta-2,4,6-trienone
IUPAC NAME: 2-[2-(methylamino)ethylamino]cyclohepta-2,4,6-trien-1-one
SYSTEMATIC NAME: 2-[2-(methylamino)ethylamino]cyclohepta-2,4,6-trien-1-one
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CNCCNC1=CC=CC=CC1=O
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Product OPENEYE NAME: 1-methyl-2,3-dihydrocyclohepta[b]pyrazine
CAS Name: 1-methyl-2,3-dihydrocyclohepta[b]pyrazine
IUPAC NAME: 1-methyl-2,3-dihydrocyclohepta[b]pyrazine
SYSTEMATIC NAME: 1-methyl-2,3-dihydrocyclohepta[b]pyrazine
MOLECULAR FORMULA: C10H12N2
MOLECULAR WEIGHT: 160.21568
SMILES: CN1CCN=C2C1=CC=CC=C2
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Product OPENEYE NAME: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-1-methyl-cyclohepta[c]pyrazol-8-one
CAS Name: 3-[(1H-benzimidazol-2-ylthio)methyl]-1-methyl-8-cyclohepta[c]pyrazolone
IUPAC NAME: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-1-methylcyclohepta[c]pyrazol-8-one
SYSTEMATIC NAME: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-1-methyl-cyclohepta[c]pyrazol-8-one
MOLECULAR FORMULA: C17H14N4OS
MOLECULAR WEIGHT: 322.38426
SMILES: CN1C2=C(C=CC=CC2=O)C(=N1)CSC3=NC4=CC=CC=C4N3
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Product OPENEYE NAME: 3-[[amino(methyl)amino]methyl]-1-methyl-cyclohepta[c]pyrazol-8-one
CAS Name: 3-[[amino(methyl)amino]methyl]-1-methyl-8-cyclohepta[c]pyrazolone
IUPAC NAME: 3-[[amino(methyl)amino]methyl]-1-methylcyclohepta[c]pyrazol-8-one
SYSTEMATIC NAME: 3-[[azanyl(methyl)amino]methyl]-1-methyl-cyclohepta[c]pyrazol-8-one
MOLECULAR FORMULA: C11H14N4O
MOLECULAR WEIGHT: 218.25506
SMILES: CN1C2=C(C=CC=CC2=O)C(=N1)CN(C)N
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MOLECULAR FORMULA: C9H7N3O2
MOLECULAR WEIGHT: 189.17078
SMILES: COC1=NC2=C(C=CO2)C3=NC=CN31
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Product OPENEYE NAME: (1Z)-N-dithiocarboxy-3-nitro-benzenecarbohydrazonate
CAS Name: (1Z)-N-dithiocarboxy-3-nitrobenzenecarbohydrazonate
IUPAC NAME: (1Z)-N-dithiocarboxy-3-nitrobenzenecarbohydrazonate
SYSTEMATIC NAME: (1Z)-N-dithiocarboxy-3-nitro-benzenecarbohydrazonate
MOLECULAR FORMULA: C8H6N3O3S2-
MOLECULAR WEIGHT: 256.28154
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])/C(=N/NC(=S)S)/[O-]
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Product OPENEYE NAME: (1Z)-N-dithiocarboxy-4-nitro-benzenecarbohydrazonate
CAS Name: (1Z)-N-dithiocarboxy-4-nitrobenzenecarbohydrazonate
IUPAC NAME: (1Z)-N-dithiocarboxy-4-nitrobenzenecarbohydrazonate
SYSTEMATIC NAME: (1Z)-N-dithiocarboxy-4-nitro-benzenecarbohydrazonate
MOLECULAR FORMULA: C8H6N3O3S2-
MOLECULAR WEIGHT: 256.28154
SMILES: C1=CC(=CC=C1/C(=N/NC(=S)S)/[O-])[N+](=O)[O-]
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Product OPENEYE NAME: (1Z)-N-dithiocarboxy-2-nitro-benzenecarbohydrazonate
CAS Name: (1Z)-N-dithiocarboxy-2-nitrobenzenecarbohydrazonate
IUPAC NAME: (1Z)-N-dithiocarboxy-2-nitrobenzenecarbohydrazonate
SYSTEMATIC NAME: (1Z)-N-dithiocarboxy-2-nitro-benzenecarbohydrazonate
MOLECULAR FORMULA: C8H6N3O3S2-
MOLECULAR WEIGHT: 256.28154
SMILES: C1=CC=C(C(=C1)/C(=N/NC(=S)S)/[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 4-amino-3-(3-aminophenyl)-1H-1,2,4-triazole-5-thione
CAS Name: 4-amino-3-(3-aminophenyl)-1H-1,2,4-triazole-5-thione
IUPAC NAME: 4-amino-3-(3-aminophenyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(3-aminophenyl)-4-azanyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C8H9N5S
MOLECULAR WEIGHT: 207.25556
SMILES: C1=CC(=CC(=C1)N)C2=NNC(=S)N2N
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Product OPENEYE NAME: 5-phenyl-1,3,4-oxadiazole-2-thiolate
CAS Name: 5-phenyl-1,3,4-oxadiazole-2-thiolate
IUPAC NAME: 5-phenyl-1,3,4-oxadiazole-2-thiolate
SYSTEMATIC NAME: 5-phenyl-1,3,4-oxadiazole-2-thiolate
MOLECULAR FORMULA: C8H5N2OS-
MOLECULAR WEIGHT: 177.2031
SMILES: C1=CC=C(C=C1)C2=NN=C(O2)[S-]
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Product OPENEYE NAME: 3-pyridylmethyl nitrate
CAS Name: nitric acid 3-pyridinylmethyl ester
IUPAC NAME: pyridin-3-ylmethyl nitrate
SYSTEMATIC NAME: pyridin-3-ylmethyl nitrate
MOLECULAR FORMULA: C6H6N2O3
MOLECULAR WEIGHT: 154.12344
SMILES: C1=CC(=CN=C1)CO[N+](=O)[O-]
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MOLECULAR FORMULA: C21H18O3S
MOLECULAR WEIGHT: 350.43082
SMILES: C1CC2=CC=CC=C2C3=C(C1)C(=O)C(=C(O3)O)SCC4=CC=CC=C4
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