instruction stringlengths 45 2.5k | input stringclasses 1
value | output stringlengths 2 1.6k |
|---|---|---|
methyl 3-[3-(difluoromethoxy)phenyl]-2-oxopropanoate is the IUPAC name of a molecule. Please give its SMILES representation. | COC(=O)C(=O)CC1=CC=CC(OC(F)F)=C1 | |
Please write the SMILES representation of the molecule 5-(5-methyl-1H-indol-3-yl)-3H-1,3,4-oxadiazol-2-one . | CC1=CC=C2NC=C(C3=NNC(=O)O3)C2=C1 | |
Convert the IUPAC name of a molecule 4,6-dichloro-1-benzofuran-2,3-dione into SMILES representation. | O=C1OC2=CC(Cl)=CC(Cl)=C2C1=O | |
Convert the IUPAC name of a molecule 6-(trifluoromethyl)-1-benzofuran-2,3-dione into SMILES representation. | O=C1OC2=CC(C(F)(F)F)=CC=C2C1=O | |
Please identify the SMILES representation of the molecule named 2,6-bis(trifluoromethyl)benzenecarboximidamide . | N=C(N)C1=C(C(F)(F)F)C=CC=C1C(F)(F)F | |
The IUPAC name of a certain molecule is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole-5-carbaldehyde . Can you provide its SMILES representation? | O=CC1=CN=C(C2=CC=C(C(F)(F)F)C(F)=C2)N1 | |
For the molecule with 2-(5-fluoropyridin-2-yl)indene-1,3-dione as the IUPAC name, what is the corresponding SMILES representation? | O=C1C2=CC=CC=C2C(=O)C1C1=CC=C(F)C=N1 | |
1-(2,3-difluoro-6-methoxyphenyl)propane-1,3-diol is the IUPAC name of a molecule. Please give its SMILES representation. | COC1=CC=C(F)C(F)=C1C(O)CCO | |
Can you give the SMILES notation of the molecule 2-(4-chloro-2,6-difluorophenyl)-5-methyl-4,5-dihydro-1H-imidazole ? | CC1CN=C(C2=C(F)C=C(Cl)C=C2F)N1 | |
Could you provide the SMILES for tert-butyl N-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)carbamate ? | CC(C)(C)OC(=O)NC1COC2=CC=CC=C2C1O;CC(C)(C)OC(=O)NC1COC2=CC=CC=C2C1O | |
Please write the SMILES representation of the molecule N-[1,1-dicyclopropyl-3-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide . | CC1=NN(COCC[Si](C)(C)C)C(C)=C1C1=CC=C(NC(=O)C(NC(=O)C2=CC=NN2C(C)C)C(C2CC2)C2CC2)C=C1 | |
[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]methanol is the IUPAC name of a molecule. Please give its SMILES representation. | OCC1=NC(C2=CC=C3OCOC3=C2)=NN1 | |
[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]methanol The above is the IUPAC name of a molecule. Write its SMILES notation. | OCC1=NC(C2=CC=CC=C2Br)=NN1 | |
What is the SMILES representation for methyl 5-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate ? | COC(=O)C1=CC=C(OC)N2C(C)=NN=C12 | |
Convert the IUPAC name of a molecule 3-ethynyl-4-(3-phenylmethoxyphenyl)pyridine into SMILES representation. | C#CC1=CN=CC=C1C1=CC=CC(OCC2=CC=CC=C2)=C1 | |
What is the SMILES representation of the molecule with IUPAC name 5-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]phenyl]triazolidine-4-carbonitrile ? | N#CC1NNNC1C1=CC=CC=C1CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1 | |
Please write the SMILES representation of the molecule 5-[3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-5-chlorophenyl]triazolidine-4-carbonitrile . | N#CC1NNNC1C1=CC(Cl)=CC(CC2=CC(C(F)(F)F)=CC=C2C(F)(F)F)=C1 | |
For the molecule with [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]methyl acetate as the IUPAC name, what is the corresponding SMILES representation? | CC(=O)OCC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=N1 | |
Can you tell me the SMILES representation for the molecule 5-iodo-3-methoxy-1H-pyridin-2-one ? | COC1=CC(I)=CNC1=O | |
For the molecule with 9H-fluoren-9-ylmethyl N-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl]carbamate as the IUPAC name, what is the corresponding SMILES representation? | O=C(NCC1CC1CO)OCC1C2=CC=CC=C2C2=CC=CC=C21 | |
The IUPAC name of a certain molecule is 9H-fluoren-9-ylmethyl 4-(4-fluoropyrazol-1-yl)-4-(sulfanylmethyl)piperidine-1-carboxylate . Can you provide its SMILES representation? | O=C(OCC1C2=CC=CC=C2C2=CC=CC=C21)N1CCC(CS)(N2C=C(F)C=N2)CC1 | |
Can you give the SMILES notation of the molecule 3-[5-(trifluoromethoxy)pyridin-3-yl]-1,4-oxazepane ? | FC(F)(F)OC1=CN=CC(C2COCCCN2)=C1 | |
Please identify the SMILES representation of the molecule named 2-amino-3-(3-dimethylphosphorylphenyl)propanoic acid . | CP(C)(=O)C1=CC=CC(CC(N)C(=O)O)=C1 | |
Please write the SMILES representation of the molecule 2-(2,4-dioxopyrrolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid . | CC1=C(C(=O)O)SC(N2CC(=O)CC2=O)=N1 | |
What is the SMILES notation for 1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,4-dione ? | O=C1CC(=O)N(CC(=O)N2CCCC2)C1 | |
The IUPAC name of a certain molecule is 1-(5-amino-4,6-dichloropyrimidin-2-yl)pyrrolidine-2,4-dione . Can you provide its SMILES representation? | NC1=C(Cl)N=C(N2CC(=O)CC2=O)N=C1Cl | |
Could you provide the SMILES for 4-bromo-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one ? | COC1=CC=C(N2CC(Br)CC2=O)C=C1OC | |
What is the SMILES representation of the molecule with IUPAC name 1-(2-amino-5-bromo-4-methylphenyl)-4-bromopyrrolidin-2-one ? | CC1=CC(N)=C(N2CC(Br)CC2=O)C=C1Br | |
What is the SMILES representation for 4-bromo-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one ? | CC1=CC=C(N2CC(Br)CC2=O)C(F)=C1 | |
For the molecule with 2-(4-bromo-2-oxopyrrolidin-1-yl)-4-methylbenzonitrile as the IUPAC name, what is the corresponding SMILES representation? | CC1=CC=C(C#N)C(N2CC(Br)CC2=O)=C1 | |
Can you give the SMILES notation of the molecule 4-bromo-1-(4-chloro-3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one ? | CC1=NOC(N2CC(Br)CC2=O)=C1Cl | |
Please write the SMILES representation of the molecule 1-(3-amino-2,6-dichloropyridin-4-yl)-4-bromopyrrolidin-2-one . | NC1=C(N2CC(Br)CC2=O)C=C(Cl)N=C1Cl | |
Can you tell me the SMILES representation for the molecule difluoro-(6-fluoro-4-methyl-1H-benzimidazol-2-yl)methanesulfonyl fluoride ? | CC1=CC(F)=CC2=C1N=C(C(F)(F)S(=O)(=O)F)N2 | |
Can you tell me the SMILES representation for the molecule 4-phenylmethoxy-3-[3-(trifluoromethoxy)phenyl]benzaldehyde ? | O=CC1=CC=C(OCC2=CC=CC=C2)C(C2=CC=CC(OC(F)(F)F)=C2)=C1 | |
What is the SMILES representation for N-[[1-(4-nitroanilino)-1,4-dioxo-4-phenylbutan-2-ylidene]amino]furan-2-carboxamide ? | O=C(NC1=CC=C([N+](=O)[O-])C=C1)C(CC(=O)C1=CC=CC=C1)=NNC(=O)C1=CC=CO1 | |
Can you give the SMILES notation of the molecule 4-ethynyl-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidin-2-one ? | C#CC1CC(=O)N(C(CN2C=CC=N2)C2=CC=CC=C2)C1 | |
For the molecule with 4-ethynyl-1-[(2-propan-2-yloxypyridin-4-yl)methyl]pyrrolidin-2-one as the IUPAC name, what is the corresponding SMILES representation? | C#CC1CC(=O)N(CC2=CC=NC(OC(C)C)=C2)C1 | |
Convert the IUPAC name of a molecule 1-(2-acetyl-4-nitrophenyl)-4-ethynylpyrrolidin-2-one into SMILES representation. | C#CC1CC(=O)N(C2=CC=C([N+](=O)[O-])C=C2C(C)=O)C1 | |
Can you tell me the SMILES representation for the molecule N-[2-(4-ethynyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]propanamide ? | C#CC1CC(=O)N(C2=CC(OC)=CC=C2NC(=O)CC)C1 | |
Please identify the SMILES representation of the molecule named ethyl 3-(4-ethynyl-2-oxopyrrolidin-1-yl)-4-(methylamino)benzoate . | C#CC1CC(=O)N(C2=CC(C(=O)OCC)=CC=C2NC)C1 | |
The IUPAC name of a certain molecule is 1-[(3,5-dimethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one . Can you provide its SMILES representation? | C#CC1CC(=O)N(CC2=CC(OC)=CC(OC)=C2)C1 | |
1-(2-amino-5-bromo-4-methylpyridin-3-yl)-4-ethynylpyrrolidin-2-one The above is the IUPAC name of a molecule. Write its SMILES notation. | C#CC1CC(=O)N(C2=C(N)N=CC(Br)=C2C)C1 | |
Convert the IUPAC name of a molecule 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carbonitrile into SMILES representation. | C#CC1CC(=O)N(C2=C(C#N)C(C)=C(C)S2)C1 | |
What is the SMILES notation for 4-ethynyl-1-(3-oxocyclohexen-1-yl)pyrrolidin-2-one ? | C#CC1CC(=O)N(C2=CC(=O)CCC2)C1 | |
What is the SMILES representation for 1-(2,2-diphenylethyl)-4-ethynylpyrrolidin-2-one ? | C#CC1CC(=O)N(CC(C2=CC=CC=C2)C2=CC=CC=C2)C1 | |
Can you give the SMILES notation of the molecule 4-ethynyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one ? | C#CC1CC(=O)N(CC2=CC=C(N3C=CC=N3)C=C2)C1 | |
Please identify the SMILES representation of the molecule named 1-(1,3-benzodioxol-4-ylmethyl)-4-ethynylpyrrolidin-2-one . | C#CC1CC(=O)N(CC2=CC=CC3=C2OCO3)C1 | |
What is the SMILES representation for 1-[[3-(difluoromethoxy)phenyl]methyl]-4-ethynylpyrrolidin-2-one ? | C#CC1CC(=O)N(CC2=CC=CC(OC(F)F)=C2)C1 | |
Convert the IUPAC name of a molecule 1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-ethynylpyrrolidin-2-one into SMILES representation. | C#CC1CC(=O)N(C2=CC(O)=C(Cl)C=C2F)C1 | |
Can you tell me the SMILES representation for the molecule 1-(5-chloro-2-sulfanylphenyl)-4-ethynylpyrrolidin-2-one ? | C#CC1CC(=O)N(C2=CC(Cl)=CC=C2S)C1 | |
4-ethynyl-1-(4-iodophenyl)pyrrolidin-2-one The above is the IUPAC name of a molecule. Write its SMILES notation. | C#CC1CC(=O)N(C2=CC=C(I)C=C2)C1 | |
Could you provide the SMILES for 1-(4-benzylphenyl)-4-ethynylpyrrolidin-2-one ? | C#CC1CC(=O)N(C2=CC=C(CC3=CC=CC=C3)C=C2)C1 | |
Please write the SMILES representation of the molecule 4-(bromomethyl)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-2-one . | O=C(C1CC1)N1CCC(N2CC(CBr)CC2=O)CC1 | |
What is the SMILES representation of the molecule with IUPAC name 4-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-one ? | O=C1CC(CBr)CN1CC1=CC(F)=CC=C1Cl | |
What is the SMILES representation of the molecule with IUPAC name 1-[(3-bromo-4-chlorophenyl)methyl]-4-(bromomethyl)pyrrolidin-2-one ? | O=C1CC(CBr)CN1CC1=CC=C(Cl)C(Br)=C1 | |
The IUPAC name of a certain molecule is 4-(bromomethyl)-1-(2,4,6-trifluorophenyl)pyrrolidin-2-one . Can you provide its SMILES representation? | O=C1CC(CBr)CN1C1=C(F)C=C(F)C=C1F | |
4-(bromomethyl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one The above is the IUPAC name of a molecule. Write its SMILES notation. | O=C1CC(CBr)CN1C1=CC=C(OCC(F)(F)F)C=C1 | |
Can you tell me the SMILES representation for the molecule 2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-5-(trifluoromethyl)benzonitrile ? | N#CC1=CC(C(F)(F)F)=CC=C1N1CC(CBr)CC1=O | |
4-(bromomethyl)-1-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-one The above is the IUPAC name of a molecule. Write its SMILES notation. | O=C1CC(CBr)CN1C1=NC=NC2=NNC(Br)=C12 | |
Please write the SMILES representation of the molecule 3-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]benzoic acid . | NC1=CC=CC(C(=O)O)=C1N1CC(CBr)CC1=O | |
4-(bromomethyl)-1-pyrazin-2-ylpyrrolidin-2-one is the IUPAC name of a molecule. Please give its SMILES representation. | O=C1CC(CBr)CN1C1=CN=CC=N1 | |
Convert the IUPAC name of a molecule 5-butyl-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-4-methyl-1H-pyrimidin-6-one into SMILES representation. | CCCCC1=C(C)N=C(N2CC(CCl)CC2=O)NC1=O | |
Could you provide the SMILES for 4-(chloromethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one ? | COC1=CC=CC=C1OCCCN1CC(CCl)CC1=O | |
4-(chloromethyl)-1-[5-(2-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one The above is the IUPAC name of a molecule. Write its SMILES notation. | CC1=CC=CC=C1C1=CC(N2CC(CCl)CC2=O)=NN1 | |
Convert the IUPAC name of a molecule 4-(chloromethyl)-1-(2,6-dichloropyridin-4-yl)pyrrolidin-2-one into SMILES representation. | O=C1CC(CCl)CN1C1=CC(Cl)=NC(Cl)=C1 | |
Can you give the SMILES notation of the molecule 4-(chloromethyl)-1-[3-(tetrazol-1-yl)phenyl]pyrrolidin-2-one ? | O=C1CC(CCl)CN1C1=CC=CC(N2C=NN=N2)=C1 | |
Could you provide the SMILES for 1-[(2-iodophenyl)methyl]-2-methylpiperazine ? | CC1CNCCN1CC1=CC=CC=C1I | |
Convert the IUPAC name of a molecule 4-[1-(2,5-dichlorophenyl)sulfanylpropyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine into SMILES representation. | CCC(SC1=CC(Cl)=CC=C1Cl)C1=NC(N)=NC(N2CCN(C)CC2)=N1 | |
Please write the SMILES representation of the molecule N-[[1-[(4-bromophenyl)methyl]triazol-4-yl]methyl]adamantan-1-amine . | BrC1=CC=C(CN2C=C(CNC34CC5CC(CC(C5)C3)C4)N=N2)C=C1 | |
For the molecule with N-[3-[[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]carbamoyl]phenyl]-N'-hydroxyoctanediamide as the IUPAC name, what is the corresponding SMILES representation? | CCN(CC)CC1=CC=CC=C1CNC(=O)C1=CC=CC(NC(=O)C2=CC=CC(NC(=O)CCCCCCC(=O)NO)=C2)=C1 | |
(4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-y... | CSCCC(NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)C(CC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(C)N)C(=O)O | |
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)isoindole-1,3-dione ? | O=C1C2=CC=CC=C2C(=O)N1C1=CC(Cl)=CC=C1F | |
Please write the SMILES representation of the molecule 1-[4-chloro-2-(trifluoromethyl)phenyl]pyrrolidine . | FC(F)(F)C1=CC(Cl)=CC=C1N1CCCC1 | |
Convert the IUPAC name of a molecule methyl 3-amino-1-(5-chloro-2-methylphenyl)-4-cyanopyrrole-2-carboxylate into SMILES representation. | COC(=O)C1=C(N)C(C#N)=CN1C1=CC(Cl)=CC=C1C | |
What is the SMILES representation for methyl 3-amino-1-(4-bromo-2,6-difluorophenyl)-4-cyanopyrrole-2-carboxylate ? | COC(=O)C1=C(N)C(C#N)=CN1C1=C(F)C=C(Br)C=C1F | |
1-[4-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine is the IUPAC name of a molecule. Please give its SMILES representation. | FC1=CC=C(N2CCCC2)C(OC(F)(F)F)=C1 | |
What is the SMILES notation for 7-bromo-5-pyrrolidin-1-yl-1H-indole ? | BrC1=CC(N2CCCC2)=CC2=C1NC=C2 | |
1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrrolidine The above is the IUPAC name of a molecule. Write its SMILES notation. | CC1(C)OC(C2=CC=C(N3CCCC3)C=C2)OC1(C)C | |
Can you give the SMILES notation of the molecule 2-acetamido-3-(4-pyrrolidin-1-ylphenyl)propanoic acid ? | CC(=O)NC(CC1=CC=C(N2CCCC2)C=C1)C(=O)O | |
Please identify the SMILES representation of the molecule named 2-(4-chloro-3-pyrrolidin-1-ylphenyl)-1,3-benzoxazole . | ClC1=CC=C(C2=NC3=CC=CC=C3O2)C=C1N1CCCC1 | |
Please identify the SMILES representation of the molecule named 3-methyl-1-(4-propan-2-ylsulfonyl-3-pyrrolidin-1-ylphenyl)piperidine . | CC1CCCN(C2=CC=C(S(=O)(=O)C(C)C)C(N3CCCC3)=C2)C1 | |
Convert the IUPAC name of a molecule 1-[4-chloro-3,5-bis(trifluoromethyl)phenyl]pyrrolidine into SMILES representation. | FC(F)(F)C1=CC(N2CCCC2)=CC(C(F)(F)F)=C1Cl | |
What is the SMILES representation for 1-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]pyrrolidine ? | ClC1=CC=C(CSC2=CC=C(N3CCCC3)C=C2)C=C1Cl | |
Please identify the SMILES representation of the molecule named [1-(4-chlorophenyl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylbenzoate . | CC(OC(=O)C1=CC=C(N2CCCC2)C=C1)C(=O)C1=CC=C(Cl)C=C1 | |
What is the SMILES representation of the molecule with IUPAC name 1-[4-chloro-3-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyrrolidine ? | FC(Cl)C(F)(F)OC1=CC(N2CCCC2)=CC=C1Cl | |
What is the SMILES representation for 1-(3-hydroperoxy-5-pyrrolidin-1-ylphenyl)tetrazole ? | OOC1=CC(N2CCCC2)=CC(N2C=NN=N2)=C1 | |
Please identify the SMILES representation of the molecule named methyl 2-acetamido-3-(2-chloro-5-pyrrolidin-1-ylphenyl)propanoate . | COC(=O)C(CC1=CC(N2CCCC2)=CC=C1Cl)NC(C)=O | |
Can you tell me the SMILES representation for the molecule 2-chloro-5-pyrrolidin-1-ylbenzenesulfonic acid ? | O=S(=O)(O)C1=CC(N2CCCC2)=CC=C1Cl | |
What is the SMILES notation for 2-[2-(1H-benzimidazol-2-yl)phenyl]isoindole-1,3-dione ? | O=C1C2=CC=CC=C2C(=O)N1C1=CC=CC=C1C1=NC2=CC=CC=C2N1 | |
The IUPAC name of a certain molecule is 2-[5-bromo-2-(methoxymethyl)phenyl]isoindole-1,3-dione . Can you provide its SMILES representation? | COCC1=CC=C(Br)C=C1N1C(=O)C2=CC=CC=C2C1=O | |
The IUPAC name of a certain molecule is 2-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]isoindole-1,3-dione . Can you provide its SMILES representation? | CC1=CC=C(OC2=CC=C(N3C(=O)C4=CC=CC=C4C3=O)C=C2Cl)C=C1C | |
What is the SMILES representation of the molecule with IUPAC name tert-butyl 3-[4-(1,3-dioxoisoindol-2-yl)-2-fluorophenoxy]pyrrolidine-1-carboxylate ? | CC(C)(C)OC(=O)N1CCC(OC2=CC=C(N3C(=O)C4=CC=CC=C4C3=O)C=C2F)C1 | |
Convert the IUPAC name of a molecule 3-[4-(1,3-dioxoisoindol-2-yl)phenoxy]-N-methylbenzamide into SMILES representation. | CNC(=O)C1=CC=CC(OC2=CC=C(N3C(=O)C4=CC=CC=C4C3=O)C=C2)=C1 | |
What is the SMILES notation for ethyl 3-[(2-cyanoacetyl)amino]-4-fluorobenzoate ? | CCOC(=O)C1=CC=C(F)C(NC(=O)CC#N)=C1 | |
Can you tell me the SMILES representation for the molecule 2-cyano-N-(4-pentylphenyl)acetamide ? | CCCCCC1=CC=C(NC(=O)CC#N)C=C1 | |
Can you tell me the SMILES representation for the molecule 2-cyano-N-(2,3,4-trichlorophenyl)acetamide ? | N#CCC(=O)NC1=CC=C(Cl)C(Cl)=C1Cl | |
4-[(2-cyanoacetyl)amino]-3-iodobenzoic acid is the IUPAC name of a molecule. Please give its SMILES representation. | N#CCC(=O)NC1=CC=C(C(=O)O)C=C1I | |
Can you give the SMILES notation of the molecule 3-bromo-4-[(2-cyanoacetyl)amino]-5-nitrobenzoic acid ? | N#CCC(=O)NC1=C(Br)C=C(C(=O)O)C=C1[N+](=O)[O-] | |
Can you give the SMILES notation of the molecule N-(6-bromo-2-hydroxy-3-iodophenyl)-2-cyanoacetamide ? | N#CCC(=O)NC1=C(Br)C=CC(I)=C1O | |
For the molecule with 2-cyano-N-[2-(furan-2-ylmethoxy)phenyl]acetamide as the IUPAC name, what is the corresponding SMILES representation? | N#CCC(=O)NC1=CC=CC=C1OCC1=CC=CO1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.