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MOLECULAR FORMULA: C19H28O8
MOLECULAR WEIGHT: 384.42082
SMILES: C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)OC(=O)CCC(=O)O)C
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Product OPENEYE NAME: 7-chloro-N-[(E)-(3-methoxy-2-naphthyl)methyleneamino]quinolin-4-amine
CAS Name: 7-chloro-N-[(E)-(3-methoxy-2-naphthalenyl)methylideneamino]-4-quinolinamine
IUPAC NAME: 7-chloro-N-[(E)-(3-methoxynaphthalen-2-yl)methylideneamino]quinolin-4-amine
SYSTEMATIC NAME: 7-chloranyl-N-[(E)-(3-methoxynaphthalen-2-yl)methylideneamino]quinolin-4-amine
MOLECULAR FORMULA: C21H16ClN3O
MOLECULAR WEIGHT: 361.82424
SMILES: COC1=CC2=CC=CC=C2C=C1/C=N/NC3=C4C=CC(=CC4=NC=C3)Cl
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MOLECULAR FORMULA: C41H58O11
MOLECULAR WEIGHT: 726.89262
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)CC(C[C@@H]5[C@@H]([C@@H]6CC[C@H]([C@H]7[C@]68[C@H](O5)O[C@](CC7)(OO8)C)C)C)(COC(=O)C9=CC=CC=C9)O)C
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Product OPENEYE NAME: silver; acetic acid; 1,3,7,9-tetramethyl-8H-purin-8-ide-2,6-dione
CAS Name: silver; acetic acid; 1,3,7,9-tetramethyl-8H-purin-8-ide-2,6-dione
IUPAC NAME: silver; acetic acid; 1,3,7,9-tetramethyl-8H-purin-8-ide-2,6-dione
SYSTEMATIC NAME: silver; ethanoic acid; 1,3,7,9-tetramethyl-8H-purin-8-ide-2,6-dione
MOLECULAR FORMULA: C11H17AgN4O4
MOLECULAR WEIGHT: 377.14528
SMILES: CC(=O)O.CN1[CH-]N(C2=C1C(=O)N(C(=O)N2C)C)C.[Ag+]
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MOLECULAR FORMULA: C45H63FO11
MOLECULAR WEIGHT: 798.973523
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)CC(C[C@@H]5[C@@H]([C@@H]6CC[C@H]([C@H]7[C@]68[C@H](O5)O[C@](CC7)(OO8)C)C)C)(COCC#CCOCC9=CC=C(C=C9)F)O)C
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Product OPENEYE NAME: (4Z)-4-[(3-chloro-4,5-diethoxy-phenyl)methylene]-5-methyl-2-(2H-tetrazol-5-yl)pyrazol-3-one
CAS Name: (4Z)-4-[(3-chloro-4,5-diethoxyphenyl)methylidene]-5-methyl-2-(2H-tetrazol-5-yl)-3-pyrazolone
IUPAC NAME: (4Z)-4-[(3-chloro-4,5-diethoxyphenyl)methylidene]-5-methyl-2-(2H-tetrazol-5-yl)pyrazol-3-one
SYSTEMATIC NAME: (4Z)-4-[(3-chloranyl-4,5-diethoxy-phenyl)methylidene]-5-methyl-2-(2H-1,2,3,4-tetrazol-5-yl)pyrazol-3-one
MOLECULAR FORMULA: C16H17ClN6O3
MOLECULAR WEIGHT: 376.79758
SMILES: CCOC1=C(C(=CC(=C1)/C=C\2/C(=NN(C2=O)C3=NNN=N3)C)Cl)OCC
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Product OPENEYE NAME: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-7-fluoro-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
CAS Name: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-7-fluoro-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC NAME: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-7-fluoro-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-7-fluoranyl-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C24H39FO3
MOLECULAR WEIGHT: 394.563063
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)F)C
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MOLECULAR FORMULA: C12H14N4O2
MOLECULAR WEIGHT: 246.26516
SMILES: CN1C2C(C3=C1C=NC=C3)N(C(=O)N(C2=O)C)C
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Product OPENEYE NAME: 2-(2-chlorophenyl)-1H-phenanthro[9,10-b]pyrrole
CAS Name: 2-(2-chlorophenyl)-1H-phenanthro[9,10-b]pyrrole
IUPAC NAME: 2-(2-chlorophenyl)-1H-phenanthro[9,10-b]pyrrole
SYSTEMATIC NAME: 2-(2-chlorophenyl)-1H-phenanthro[9,10-b]pyrrole
MOLECULAR FORMULA: C22H14ClN
MOLECULAR WEIGHT: 327.80626
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C=C(N4)C5=CC=CC=C5Cl
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Product OPENEYE NAME: (2S)-2-[(3R,5S,7R,8R,9S,10S,13S,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
CAS Name: (2S)-2-[(3R,5S,7R,8R,9S,10S,13S,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
IUPAC NAME: (2S)-2-[(3R,5S,7R,8R,9S,10S,13S,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
SYSTEMATIC NAME: (2S)-2-[(3R,5S,7R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
MOLECULAR FORMULA: C22H36O4
MOLECULAR WEIGHT: 364.51884
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)C(=O)O
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Product OPENEYE NAME: (2R)-2-[[3-amino-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]-5-guanidino-N-[1-[(4-hydroxyphenyl)methyl]-2-oxo-2-(2-phenylethylamino)ethyl]pentanamide
CAS Name: (2R)-2-[[3-amino-1-oxo-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]propyl]amino]-5-(diaminomethylideneamino)-N-[3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]pentanamide
IUPAC NAME: (2R)-2-[[3-amino-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)-N-[3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]pentanamide
SYSTEMATIC NAME: (2R)-2-[[3-azanyl-2-[2-(4-phenylphenyl)ethanoylamino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]-N-[3-(4-hydroxyphenyl)-1-oxidanylidene-1-(2-phenylethylamino)propan-2-yl]pentanamide
MOLECULAR FORMULA: C40H48N8O5
MOLECULAR WEIGHT: 720.85972
SMILES: C1=CC=C(C=C1)CCNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C(CN)NC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4
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MOLECULAR FORMULA: C12H14N4O2
MOLECULAR WEIGHT: 246.26516
SMILES: CN1C2C(C3=C1C=CC=N3)N(C(=O)N(C2=O)C)C
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Product OPENEYE NAME: 2-(2-chlorophenyl)phenanthro[9,10-d]thiazole
CAS Name: 2-(2-chlorophenyl)phenanthro[9,10-d]thiazole
IUPAC NAME: 2-(2-chlorophenyl)phenanthro[9,10-d][1,3]thiazole
SYSTEMATIC NAME: 2-(2-chlorophenyl)phenanthro[9,10-d][1,3]thiazole
MOLECULAR FORMULA: C21H12ClNS
MOLECULAR WEIGHT: 345.84468
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(S4)C5=CC=CC=C5Cl
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Product OPENEYE NAME: 2-(2-chloro-6-fluoro-phenyl)-3-methyl-phenanthro[9,10-d]imidazole
CAS Name: 2-(2-chloro-6-fluorophenyl)-3-methylphenanthro[9,10-d]imidazole
IUPAC NAME: 2-(2-chloro-6-fluorophenyl)-3-methylphenanthro[9,10-d]imidazole
SYSTEMATIC NAME: 2-(2-chloranyl-6-fluoranyl-phenyl)-3-methyl-phenanthro[9,10-d]imidazole
MOLECULAR FORMULA: C22H14ClFN2
MOLECULAR WEIGHT: 360.811363
SMILES: CN1C2=C(C3=CC=CC=C3C4=CC=CC=C42)N=C1C5=C(C=CC=C5Cl)F
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MOLECULAR FORMULA: C11H12N4O2
MOLECULAR WEIGHT: 232.23858
SMILES: CN1C2C(C(=O)N(C1=O)C)NC3=C2C=CN=C3
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Product OPENEYE NAME: 2-(2-chloro-6-fluoro-phenyl)phenanthro[9,10-d]oxazole
CAS Name: 2-(2-chloro-6-fluorophenyl)phenanthro[9,10-d]oxazole
IUPAC NAME: 2-(2-chloro-6-fluorophenyl)phenanthro[9,10-d][1,3]oxazole
SYSTEMATIC NAME: 2-(2-chloranyl-6-fluoranyl-phenyl)phenanthro[9,10-d][1,3]oxazole
MOLECULAR FORMULA: C21H11ClFNO
MOLECULAR WEIGHT: 347.769543
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(O4)C5=C(C=CC=C5Cl)F
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Product OPENEYE NAME: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-fluoro-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
CAS Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-fluoro-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC NAME: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-fluoro-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-fluoranyl-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C24H39FO3
MOLECULAR WEIGHT: 394.563063
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)F)C
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MOLECULAR FORMULA: C22H14ClFN2
MOLECULAR WEIGHT: 360.811363
SMILES: C1C2=CC=CC=C2C3=C(C4=CC=CC=C41)N=C(N3)C5=C(C=CC=C5Cl)F
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MOLECULAR FORMULA: C11H12N4O2
MOLECULAR WEIGHT: 232.23858
SMILES: CN1C2C(C(=O)N(C1=O)C)NC3=C2N=CC=C3
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Product OPENEYE NAME: 2-(2-chloro-6-fluoro-phenyl)-1H-benzo[f]benzimidazole
CAS Name: 2-(2-chloro-6-fluorophenyl)-1H-benzo[f]benzimidazole
IUPAC NAME: 2-(2-chloro-6-fluorophenyl)-1H-benzo[f]benzimidazole
SYSTEMATIC NAME: 2-(2-chloranyl-6-fluoranyl-phenyl)-1H-benzo[f]benzimidazole
MOLECULAR FORMULA: C17H10ClFN2
MOLECULAR WEIGHT: 296.726103
SMILES: C1=CC=C2C=C3C(=CC2=C1)NC(=N3)C4=C(C=CC=C4Cl)F
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Product OPENEYE NAME: 2-[[(4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
CAS Name: 2-[[(4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]ethanesulfonic acid
IUPAC NAME: 2-[[(4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
SYSTEMATIC NAME: 2-[[(4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
MOLECULAR FORMULA: C29H51NO4S
MOLECULAR WEIGHT: 509.78454
SMILES: CCC[C@H]1C[C@@H]2CCCC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)[C@H](C)CCC(=O)NCCS(=O)(=O)O)C
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Product OPENEYE NAME: (2R)-5-guanidino-N-[1-[(4-hydroxyphenyl)methyl]-2-oxo-2-(2-phenylethylamino)ethyl]-2-[2-[[2-(4-phenylphenyl)acetyl]amino]butanoylamino]pentanamide
CAS Name: (2R)-5-(diaminomethylideneamino)-N-[3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-2-[[1-oxo-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]butyl]amino]pentanamide
IUPAC NAME: (2R)-5-(diaminomethylideneamino)-N-[3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-2-[2-[[2-(4-phenylphenyl)acetyl]amino]butanoylamino]pentanamide
SYSTEMATIC NAME: (2R)-5-[bis(azanyl)methylideneamino]-N-[3-(4-hydroxyphenyl)-1-oxidanylidene-1-(2-phenylethylamino)propan-2-yl]-2-[2-[2-(4-phenylphenyl)ethanoylamino]butanoylamino]pentanamide
MOLECULAR FORMULA: C41H49N7O5
MOLECULAR WEIGHT: 719.87166
SMILES: CCC(C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCC2=CC=CC=C2)NC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4
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