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1-[(3-bromo-2,5-dichlorophenyl)methylideneamino]-4-methylimidazol-2-amine is the IUPAC name of a molecule. Please give its SMILES representation. | CC1=CN(N=CC2=CC(Cl)=CC(Br)=C2Cl)C(N)=N1 |
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For the molecule with 1-[(2,3-dibromo-5-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine as the IUPAC name, what is the corresponding SMILES representation? | CC1=CN(N=CC2=CC(F)=CC(Br)=C2Br)C(N)=N1 |
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Can you tell me the SMILES representation for the molecule 1-[[3,6-difluoro-2-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine ? | CC1=CN(N=CC2=C(F)C=CC(F)=C2OC(F)(F)F)C(N)=N1 |
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Can you give the SMILES notation of the molecule dimethyl 3-(4-butyl-2-nitrophenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate ? | CCCCC1=CC=C(N2COCC(C(=O)OC)=C2C(=O)OC)C([N+](=O)[O-])=C1 |
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For the molecule with dimethyl 3-[4-(diethylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate as the IUPAC name, what is the corresponding SMILES representation? | CCN(CC)C1=CC=C(N2COCC(C(=O)OC)=C2C(=O)OC)C=C1 |
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Can you tell me the SMILES representation for the molecule dimethyl 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate ? | COC(=O)C1=C(C(=O)OC)N(C2=CC=CC(C3=NN=C(C)O3)=C2)COC1 |
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Please identify the SMILES representation of the molecule named dimethyl 3-(3-chloro-2-fluoro-4-hydroxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate . | COC(=O)C1=C(C(=O)OC)N(C2=CC=C(O)C(Cl)=C2F)COC1 |
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Can you give the SMILES notation of the molecule 6-[4,5-bis(methoxycarbonyl)-2,6-dihydro-1,3-oxazin-3-yl]naphthalene-1,3-disulfonate ? | COC(=O)C1=C(C(=O)OC)N(C2=CC=C3C(S(=O)(=O)[O-])=CC(S(=O)(=O)[O-])=CC3=C2)COC1 |
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Please identify the SMILES representation of the molecule named dimethyl 3-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate . | COC(=O)C1=C(C(=O)OC)N(C2=CC=CC=C2N2C(=O)NC(C)C2=O)COC1 |
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Please identify the SMILES representation of the molecule named 3-[4,5-bis(methoxycarbonyl)-2,6-dihydro-1,3-oxazin-3-yl]-4-tert-butylbenzoic acid . | COC(=O)C1=C(C(=O)OC)N(C2=CC(C(=O)O)=CC=C2C(C)(C)C)COC1 |
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The IUPAC name of a certain molecule is dimethyl 3-(3-acetyl-2-hydroxy-6-phenylmethoxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate . Can you provide its SMILES representation? | COC(=O)C1=C(C(=O)OC)N(C2=C(O)C(C(C)=O)=CC=C2OCC2=CC=CC=C2)COC1 |
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What is the SMILES representation of the molecule with IUPAC name dimethyl 3-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate ? | COC(=O)C1=C(C(=O)OC)N(C2=CC=C3C(=C2)OCC(C)(C)C(=O)N3C)COC1 |
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Could you provide the SMILES for 3-[[4-[4,5-bis(methoxycarbonyl)-2,6-dihydro-1,3-oxazin-3-yl]phenyl]carbamoylamino]propanoic acid ? | COC(=O)C1=C(C(=O)OC)N(C2=CC=C(NC(=O)NCCC(=O)O)C=C2)COC1 |
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Convert the IUPAC name of a molecule dimethyl 3-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate into SMILES representation. | COC(=O)C1=C(C(=O)OC)N(C2=CC(OCC3CC3)=CC(C(F)(F)F)=C2)COC1 |
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Can you give the SMILES notation of the molecule dimethyl 3-(4-chloro-2-cyano-5-methoxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate ? | COC(=O)C1=C(C(=O)OC)N(C2=CC(OC)=C(Cl)C=C2C#N)COC1 |
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Can you tell me the SMILES representation for the molecule dimethyl 3-(2-chloro-5-methoxycarbonylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate ? | COC(=O)C1=C(C(=O)OC)N(C2=CC(C(=O)OC)=CC=C2Cl)COC1 |
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Please write the SMILES representation of the molecule 1-chloro-3-(3-fluoro-5-iodoanilino)propan-2-ol . | OC(CCl)CNC1=CC(F)=CC(I)=C1 |
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For the molecule with 1-chloro-3-[3-(2-phenoxyethoxy)anilino]propan-2-ol as the IUPAC name, what is the corresponding SMILES representation? | OC(CCl)CNC1=CC=CC(OCCOC2=CC=CC=C2)=C1 |
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For the molecule with 1-chloro-3-[2-(2-pyridin-2-ylethoxy)anilino]propan-2-ol as the IUPAC name, what is the corresponding SMILES representation? | OC(CCl)CNC1=CC=CC=C1OCCC1=CC=CC=N1 |
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Can you give the SMILES notation of the molecule 1-chloro-3-(2,4-dimethoxy-3-methyl-5-nitroanilino)propan-2-ol ? | COC1=C(NCC(O)CCl)C=C([N+](=O)[O-])C(OC)=C1C |
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Please write the SMILES representation of the molecule 7-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-2H-1,4-benzoxazepin-5-one . | O=C1NCCOC2=CC=C(NCC(O)CCl)C=C12 |
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Can you tell me the SMILES representation for the molecule 5-[(3-chloro-2-hydroxypropyl)amino]-2-(dimethylamino)benzamide ? | CN(C)C1=CC=C(NCC(O)CCl)C=C1C(N)=O |
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Can you tell me the SMILES representation for the molecule 1-chloro-3-[(1-propan-2-ylindazol-5-yl)amino]propan-2-ol ? | CC(C)N1N=CC2=CC(NCC(O)CCl)=CC=C21 |
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Please write the SMILES representation of the molecule [2-[(3-chloro-2-hydroxypropyl)amino]-5-methoxyphenyl]-(4-chlorophenyl)methanone . | COC1=CC=C(NCC(O)CCl)C(C(=O)C2=CC=C(Cl)C=C2)=C1 |
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4-[2-amino-3-cyano-5,6-bis(methoxycarbonyl)-4-phenyl-4H-pyridin-1-yl]-3-chlorobenzoic acid is the IUPAC name of a molecule. Please give its SMILES representation. | COC(=O)C1=C(C(=O)OC)N(C2=CC=C(C(=O)O)C=C2Cl)C(N)=C(C#N)C1C1=CC=CC=C1 |
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What is the SMILES representation of the molecule with IUPAC name dimethyl 6-amino-5-cyano-4-phenyl-1-(2,4,6-tribromo-3-methylphenyl)-4H-pyridine-2,3-dicarboxylate ? | COC(=O)C1=C(C(=O)OC)N(C2=C(Br)C=C(Br)C(C)=C2Br)C(N)=C(C#N)C1C1=CC=CC=C1 |
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Convert the IUPAC name of a molecule dimethyl 6-amino-5-cyano-1-[2-(2-methylpiperidine-1-carbonyl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate into SMILES representation. | COC(=O)C1=C(C(=O)OC)N(C2=CC=CC=C2C(=O)N2CCCCC2C)C(N)=C(C#N)C1C1=CC=CC=C1 |
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What is the SMILES notation for dimethyl 6-amino-5-cyano-1-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate ? | COC(=O)C1=C(C(=O)OC)N(C2=CC=C3CCCC(=O)C3=C2)C(N)=C(C#N)C1C1=CC=CC=C1 |
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The IUPAC name of a certain molecule is dimethyl 6-amino-5-cyano-4-phenyl-1-[4-(2H-tetrazol-5-yl)phenyl]-4H-pyridine-2,3-dicarboxylate . Can you provide its SMILES representation? | COC(=O)C1=C(C(=O)OC)N(C2=CC=C(C3=NNN=N3)C=C2)C(N)=C(C#N)C1C1=CC=CC=C1 |
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What is the SMILES representation for dimethyl 6-amino-5-cyano-1-[4-(3-methylbutanoylamino)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate ? | COC(=O)C1=C(C(=O)OC)N(C2=CC=C(NC(=O)CC(C)C)C=C2)C(N)=C(C#N)C1C1=CC=CC=C1 |
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Can you give the SMILES notation of the molecule dimethyl 6-amino-5-cyano-1-[2-[(4-ethylcyclohexyl)carbamoyl]phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate ? | CCC1CCC(NC(=O)C2=CC=CC=C2N2C(N)=C(C#N)C(C3=CC=CC=C3)C(C(=O)OC)=C2C(=O)OC)CC1 |
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Please write the SMILES representation of the molecule dimethyl 6-amino-5-cyano-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate . | COC(=O)C1=C(C(=O)OC)N(C2=CC=CC(OC3=CN=CC(C)=N3)=C2)C(N)=C(C#N)C1C1=CC=CC=C1 |
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dimethyl 6-amino-1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate The above is the IUPAC name of a molecule. Write its SMILES notation. | COC(=O)C1=C(C(=O)OC)N(C2=CC(OCC(F)(F)F)=CC(OCC(F)(F)F)=C2)C(N)=C(C#N)C1C1=CC=CC=C1 |
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What is the SMILES notation for dimethyl 6-amino-5-cyano-1-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate ? | COC(=O)C1=C(C(=O)OC)N(C2=CC=CC=C2C2=NCCN2)C(N)=C(C#N)C1C1=CC=CC=C1 |
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dimethyl 6-amino-5-cyano-4-phenyl-1-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-4H-pyridine-2,3-dicarboxylate is the IUPAC name of a molecule. Please give its SMILES representation. | COC(=O)C1=C(C(=O)OC)N(C2=CC=CC=C2C(=O)N2CCN(C3=CC=CC=C3)CC2)C(N)=C(C#N)C1C1=CC=CC=C1 |
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Can you give the SMILES notation of the molecule dimethyl 6-amino-5-cyano-1-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate ? | COC(=O)C1=C(C(=O)OC)N(C2=CC(C3=NC4=CC=C(C)C=C4O3)=CC=C2C)C(N)=C(C#N)C1C1=CC=CC=C1 |
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For the molecule with dimethyl 6-amino-5-cyano-1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate as the IUPAC name, what is the corresponding SMILES representation? | COC(=O)C1=C(C(=O)OC)N(C2=CC=CC(C3=NC(C)=C(C)O3)=C2)C(N)=C(C#N)C1C1=CC=CC=C1 |
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Can you tell me the SMILES representation for the molecule dimethyl 6-amino-5-cyano-1-[5-[2-(diethylamino)ethoxycarbonyl]-2-propoxyphenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate ? | CCCOC1=CC=C(C(=O)OCCN(CC)CC)C=C1N1C(N)=C(C#N)C(C2=CC=CC=C2)C(C(=O)OC)=C1C(=O)OC |
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Can you tell me the SMILES representation for the molecule dimethyl 6-amino-5-cyano-1-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate ? | COC(=O)C1=C(C(=O)OC)N(C2=CC=C(NC(=O)C3=CC=CO3)C(OC)=C2)C(N)=C(C#N)C1C1=CC=CC=C1 |
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Can you tell me the SMILES representation for the molecule dimethyl 6-amino-5-cyano-1-[2-(3-hydroxyphenyl)-3H-benzimidazol-5-yl]-4-phenyl-4H-pyridine-2,3-dicarboxylate ? | COC(=O)C1=C(C(=O)OC)N(C2=CC=C3N=C(C4=CC=CC(O)=C4)NC3=C2)C(N)=C(C#N)C1C1=CC=CC=C1 |
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Please identify the SMILES representation of the molecule named dimethyl 6-amino-1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate . | COC(=O)C1=C(C(=O)OC)N(C2=CC=C3C(=O)N(C(C)(C)C)C(=O)C3=C2)C(N)=C(C#N)C1C1=CC=CC=C1 |
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Can you tell me the SMILES representation for the molecule dimethyl 6-amino-5-cyano-1-[2-(diethylcarbamoyl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate ? | CCN(CC)C(=O)C1=CC=CC=C1N1C(N)=C(C#N)C(C2=CC=CC=C2)C(C(=O)OC)=C1C(=O)OC |
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Please write the SMILES representation of the molecule dimethyl 6-amino-5-cyano-1-[2,6-di(propan-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate . | COC(=O)C1=C(C(=O)OC)N(C2=C(C(C)C)C=CC=C2C(C)C)C(N)=C(C#N)C1C1=CC=CC=C1 |
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Please identify the SMILES representation of the molecule named dimethyl 1-(2,4-dibromo-6-ethylphenyl)azepine-2,3-dicarboxylate . | CCC1=CC(Br)=CC(Br)=C1N1C=CC=CC(C(=O)OC)=C1C(=O)OC |
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dimethyl 1-(2,3-dihydro-1-benzofuran-4-yl)azepine-2,3-dicarboxylate is the IUPAC name of a molecule. Please give its SMILES representation. | COC(=O)C1=C(C(=O)OC)N(C2=CC=CC3=C2CCO3)C=CC=C1 |
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What is the SMILES representation for dimethyl 1-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azepine-2,3-dicarboxylate ? | COC(=O)C1=C(C(=O)OC)N(C2=CC=CC(C3=NN=CN3C)=C2C)C=CC=C1 |
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The IUPAC name of a certain molecule is dimethyl 1-(2-ethyl-1-methylbenzimidazol-5-yl)azepine-2,3-dicarboxylate . Can you provide its SMILES representation? | CCC1=NC2=CC(N3C=CC=CC(C(=O)OC)=C3C(=O)OC)=CC=C2N1C |
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Please identify the SMILES representation of the molecule named dimethyl 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]azepine-2,3-dicarboxylate . | CCN1CCN(CC2=CC=C(N3C=CC=CC(C(=O)OC)=C3C(=O)OC)C=C2C(F)(F)F)CC1 |
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dimethyl 1-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]azepine-2,3-dicarboxylate The above is the IUPAC name of a molecule. Write its SMILES notation. | COC(=O)C1=C(C(=O)OC)N(C2=CC=CC(Cl)=C2N2CCN(C(=O)C(C)C)CC2)C=CC=C1 |
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Could you provide the SMILES for dimethyl 1-[2-(4-methoxycarbonylphenoxy)phenyl]azepine-2,3-dicarboxylate ? | COC(=O)C1=C(C(=O)OC)N(C2=CC=CC=C2OC2=CC=C(C(=O)OC)C=C2)C=CC=C1 |
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What is the SMILES representation for [2-[2,3-bis(methoxycarbonyl)azepin-1-yl]-5-fluorophenyl]boronic acid ? | COC(=O)C1=C(C(=O)OC)N(C2=CC=C(F)C=C2B(O)O)C=CC=C1 |
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Can you tell me the SMILES representation for the molecule dimethyl 1-[2-(4-methoxybenzoyl)phenyl]azepine-2,3-dicarboxylate ? | COC(=O)C1=C(C(=O)OC)N(C2=CC=CC=C2C(=O)C2=CC=C(OC)C=C2)C=CC=C1 |
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Can you give the SMILES notation of the molecule dimethyl 1-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]azepine-2,3-dicarboxylate ? | COC(=O)C1=C(C(=O)OC)N(C2=CC=CC=C2C2=NC3=CC=CC=C3C(=O)O2)C=CC=C1 |
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Can you tell me the SMILES representation for the molecule 5-[2,3-bis(methoxycarbonyl)azepin-1-yl]-2-methylbenzoic acid ? | COC(=O)C1=C(C(=O)OC)N(C2=CC=C(C)C(C(=O)O)=C2)C=CC=C1 |
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Please write the SMILES representation of the molecule dimethyl 1-[4-(acetylsulfamoyl)phenyl]azepine-2,3-dicarboxylate . | COC(=O)C1=C(C(=O)OC)N(C2=CC=C(S(=O)(=O)NC(C)=O)C=C2)C=CC=C1 |
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3-[2,3-bis(methoxycarbonyl)azepin-1-yl]-2-methylbenzoic acid is the IUPAC name of a molecule. Please give its SMILES representation. | COC(=O)C1=C(C(=O)OC)N(C2=CC=CC(C(=O)O)=C2C)C=CC=C1 |
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Can you give the SMILES notation of the molecule N-(2-bromo-4-tert-butyl-6-nitrophenyl)formamide ? | CC(C)(C)C1=CC(Br)=C(NC=O)C([N+](=O)[O-])=C1 |
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N-[3-methyl-4-(6-methylpyridin-3-yl)oxyphenyl]formamide The above is the IUPAC name of a molecule. Write its SMILES notation. | CC1=CC=C(OC2=CC=C(NC=O)C=C2C)C=N1 |
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methyl N-(4-formamido-2-methoxyphenyl)carbamate is the IUPAC name of a molecule. Please give its SMILES representation. | COC(=O)NC1=CC=C(NC=O)C=C1OC |
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N-[2-(2-pyrazol-1-ylethoxy)phenyl]formamide is the IUPAC name of a molecule. Please give its SMILES representation. | O=CNC1=CC=CC=C1OCCN1C=CC=N1 |
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What is the SMILES representation of the molecule with IUPAC name N-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]formamide ? | CN1N=CC=C1COC1=CC=C(NC=O)C=C1 |
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benzyl 4-(4-formamidoanilino)piperidine-1-carboxylate is the IUPAC name of a molecule. Please give its SMILES representation. | O=CNC1=CC=C(NC2CCN(C(=O)OCC3=CC=CC=C3)CC2)C=C1 |
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Please identify the SMILES representation of the molecule named 2,3-difluoro-4-formamido-5-nitrobenzoic acid . | O=CNC1=C([N+](=O)[O-])C=C(C(=O)O)C(F)=C1F |
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Convert the IUPAC name of a molecule N-(4-pentan-3-ylphenyl)formamide into SMILES representation. | CCC(CC)C1=CC=C(NC=O)C=C1 |
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Can you tell me the SMILES representation for the molecule methyl 4-(1,3-benzodioxol-5-yloxy)-3-formamidobenzoate ? | COC(=O)C1=CC=C(OC2=CC=C3OCOC3=C2)C(NC=O)=C1 |
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Can you tell me the SMILES representation for the molecule N-(2-bromo-5-fluoro-4-iodophenyl)formamide ? | O=CNC1=CC(F)=C(I)C=C1Br |
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Can you give the SMILES notation of the molecule N-(5-acetyl-2-morpholin-4-ylphenyl)formamide ? | CC(=O)C1=CC=C(N2CCOCC2)C(NC=O)=C1 |
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Convert the IUPAC name of a molecule N-(6-bromo-2-hydroxy-3-iodophenyl)formamide into SMILES representation. | O=CNC1=C(Br)C=CC(I)=C1O |
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What is the SMILES representation for N-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]formamide ? | CC1=NN(C2=CC=C3C=CC=C(NC=O)C3=N2)C(C)=C1 |
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What is the SMILES notation for 1-imidazo[1,2-a]pyridin-2-ylindolizine-2-carbonitrile ? | N#CC1=CN2C=CC=CC2=C1C1=CN2C=CC=CC2=N1 |
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4-(azidomethyl)-1-(2-hydroxycyclohexyl)pyrrolidin-2-one is the IUPAC name of a molecule. Please give its SMILES representation. | [N-]=[N+]=NCC1CC(=O)N(C2CCCCC2O)C1 |
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Can you tell me the SMILES representation for the molecule 4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one ? | CCC1=CC=C(C(C)N2CC(CN=[N+]=[N-])CC2=O)C=C1 |
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Please identify the SMILES representation of the molecule named 4-(azidomethyl)-1-(3-hydroxy-5-methylphenyl)pyrrolidin-2-one . | CC1=CC(O)=CC(N2CC(CN=[N+]=[N-])CC2=O)=C1 |
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What is the SMILES representation of the molecule with IUPAC name 4-(azidomethyl)-1-(2-chloro-6-nitrophenyl)pyrrolidin-2-one ? | [N-]=[N+]=NCC1CC(=O)N(C2=C(Cl)C=CC=C2[N+](=O)[O-])C1 |
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Can you tell me the SMILES representation for the molecule 4-(aminomethyl)-1-[(1R,2R)-2-(dimethylamino)cyclohexyl]pyrrolidin-2-one ? | CN(C)C1CCCCC1N1CC(CN)CC1=O |
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4-(aminomethyl)-1-(1-aminopentan-3-yl)pyrrolidin-2-one is the IUPAC name of a molecule. Please give its SMILES representation. | CCC(CCN)N1CC(CN)CC1=O |
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Please write the SMILES representation of the molecule (2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-methoxy-5-oxopentanoic acid . | COC(=O)CCC(C(=O)O)N1CC(CN)CC1=O |
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methyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-fluorobenzoate is the IUPAC name of a molecule. Please give its SMILES representation. | COC(=O)C1=CC(F)=CC=C1N1CC(CN)CC1=O |
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What is the SMILES notation for 4-(aminomethyl)-1-(2-bromo-5-methylpyridin-3-yl)pyrrolidin-2-one ? | CC1=CN=C(Br)C(N2CC(CN)CC2=O)=C1 |
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Could you provide the SMILES for 1-[2-(2-aminoethylamino)ethyl]-4-(aminomethyl)pyrrolidin-2-one ? | NCCNCCN1CC(CN)CC1=O |
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What is the SMILES notation for tert-butyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]azepane-1-carboxylate ? | CC(C)(C)OC(=O)N1CCCC(N2CC(CO)CC2=O)CC1 |
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Can you give the SMILES notation of the molecule methyl 5-ethyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate ? | CCC1=CC(C(=O)OC)=C(N2CC(CO)CC2=O)S1 |
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Can you give the SMILES notation of the molecule 4-(hydroxymethyl)-1-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidin-2-one ? | COC1=CC=C(N2CC(CO)CC2=O)C=C1C(F)(F)F |
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Please write the SMILES representation of the molecule 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-5-methoxybenzonitrile . | COC1=CC=C(N2CC(CO)CC2=O)C(C#N)=C1 |
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What is the SMILES representation for 1-(4-bromo-5-chloro-2-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one ? | CC1=CC(Br)=C(Cl)C=C1N1CC(CO)CC1=O |
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Convert the IUPAC name of a molecule [4-chloro-3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]boronic acid into SMILES representation. | O=C1CC(CO)CN1C1=CC(B(O)O)=CC=C1Cl |
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1-[2-bromo-4-(trifluoromethoxy)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one The above is the IUPAC name of a molecule. Write its SMILES notation. | O=C1CC(CO)CN1C1=CC=C(OC(F)(F)F)C=C1Br |
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1-(6-chloropyrazin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one The above is the IUPAC name of a molecule. Write its SMILES notation. | O=C1CC(CO)CN1C1=CN=CC(Cl)=N1 |
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The IUPAC name of a certain molecule is 4-(hydroxymethyl)-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one . Can you provide its SMILES representation? | O=C1CC(CO)CN1C1=NC=NN1 |
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For the molecule with copper;3-[(1Z,4Z,10Z,14Z)-7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethylporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid as the IUPAC name, what is the corresponding SMILES representation? | CC1=C2C=C3[N-]C(=CC4=C(CCC(=O)O)C(C)=C(C=C5[N-]C(=CC(=C1CCC(=O)O)[N-]2)C(C)=C5CCC(=O)O)[N-]4)C(C)=C3CCC(=O)O;[Cu+2] |
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