Mol-LLaMA SFT
Collection
RCR_RP: Reagents Prediction; RCR_CP: Catalyst Prediction; RCR_SP: Solvent Prediction; HTE_RAS: Reagent Selection
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17 items
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Updated
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The IUPAC name of a certain molecule is 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine . Can you provide its SMILES representation? | CCN(CC)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC2=CC=C(OC)C=C12 |
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2-aminooxyacetic acid The above is the IUPAC name of a molecule. Write its SMILES notation. | NOCC(=O)O |
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1-methyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium is the IUPAC name of a molecule. Please give its SMILES representation. | CN1CCCC1C1=CC=C[N+](C)=C1 |
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Could you provide the SMILES for 3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-ol ? | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO |
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Could you provide the SMILES for [3-amino-2-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] 3-hydroxytetradecanoate ? | CCCCCCCCCCCC(O)CC(=O)OC1C(N)C(OP(=O)(O)OP(=O)(O)OCC2OC(N3C=CC(=O)NC3=O)C(O)C2O)OC(CO)C1O |
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What is the SMILES notation for 1-tert-butyl-3-[2-[4-(diethylamino)butylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea ? | CCN(CC)CCCCNC1=NC=C2C=C(C3=CC(OC)=CC(OC)=C3)C(NC(=O)NC(C)(C)C)=NC2=N1 |
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Convert the IUPAC name of a molecule 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one into SMILES representation. | CC1=CC=CC=C1N1C(CF)=NC2=CC=C(N)C=C2C1=O |
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What is the SMILES notation for 2-(3,7-dimethylnona-1,3,5,7-tetraenyl)-1,3,3-trimethylcyclohexene ? | CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C |
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methyl 5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate The above is the IUPAC name of a molecule. Write its SMILES notation. | COC(=O)C1CSC2(C3=CC=CC=C3)C3=CC=CC=C3C(=O)N12 |
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Can you tell me the SMILES representation for the molecule methyl 6-[3-butan-2-yl-6-(1-methoxyindol-3-yl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]hexanoate ? | CCC(C)C1NC(=O)C(C2=CN(OC)C3=CC=CC=C23)NC(=O)C(CCCCCC(=O)OC)NC(=O)C2CCCCN2C1=O |
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Please identify the SMILES representation of the molecule named [2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid . | O=C(NNCS(=O)(=O)O)C1=CC=NC=C1 |
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The IUPAC name of a certain molecule is [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite . Can you provide its SMILES representation? | C#CCOS(=O)OC1CCCCC1OC1=CC=C(C(C)(C)C)C=C1 |
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The IUPAC name of a certain molecule is 1,18-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone . Can you provide its SMILES representation? | COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C |
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Could you provide the SMILES for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine;hydrochloride ? | COC1=CC=C(CN(CCN(C)C)C2=NC=CC=N2)C=C1;Cl |
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What is the SMILES notation for 1-(benzenesulfonyl)-4-chlorobenzene ? | O=S(=O)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1 |
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What is the SMILES notation for 2,5-diphenyl-1,3-oxazole ? | C1=CC=C(C2=CN=C(C3=CC=CC=C3)O2)C=C1 |
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What is the SMILES representation for 2-methyl-1,3-benzothiazole ? | CC1=NC2=CC=CC=C2S1 |
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Please identify the SMILES representation of the molecule named calcium;3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate . | CC(C)(CO)C(O)C(=O)NCCC(=O)[O-];CC(C)(CO)C(O)C(=O)NCCC(=O)[O-];[Ca+2] |
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Could you provide the SMILES for trimethoxy(sulfanylidene)-lambda5-phosphane ? | COP(=S)(OC)OC |
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For the molecule with 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine as the IUPAC name, what is the corresponding SMILES representation? | CC1(C)N=C(N)N=C(N)N1C1=CC=C(Cl)C=C1 |
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Can you give the SMILES notation of the molecule 1,1,1,2,2,3,3-heptafluoro-4-isocyanatobutane ? | O=C=NCC(F)(F)C(F)(F)C(F)(F)F |
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(N'-cyanocarbamimidoyl)azanide;methylmercury(1+) is the IUPAC name of a molecule. Please give its SMILES representation. | C[Hg+];N#CN=C([NH-])N |
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2-methylpropane-1-thiol The above is the IUPAC name of a molecule. Write its SMILES notation. | CC(C)CS |
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Convert the IUPAC name of a molecule dotriacontane into SMILES representation. | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
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Please write the SMILES representation of the molecule 9,10-dihydroanthracene . | C1=CC=C2CC3=CC=CC=C3CC2=C1 |
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Please write the SMILES representation of the molecule ethyl N-ethyl-N-nitrosocarbamate . | CCOC(=O)N(CC)N=O |
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Can you give the SMILES notation of the molecule 2,4-dibromophenol ? | OC1=CC=C(Br)C=C1Br |
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Please identify the SMILES representation of the molecule named 1H-pyridin-4-one . | O=C1C=CNC=C1 |
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Can you give the SMILES notation of the molecule 4-[4-(2-hydroxyethyl)-2,6-diiodophenoxy]-2,6-dimethylphenol ? | CC1=CC(OC2=C(I)C=C(CCO)C=C2I)=CC(C)=C1O |
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Please identify the SMILES representation of the molecule named 4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane . | CCC12COP(OC1)OC2 |
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Convert the IUPAC name of a molecule 3-chlorodecane into SMILES representation. | CCCCCCCC(Cl)CC |
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For the molecule with O-naphthalen-2-yl N-methyl-N-naphthalen-1-ylcarbamothioate as the IUPAC name, what is the corresponding SMILES representation? | CN(C(=S)OC1=CC=C2C=CC=CC2=C1)C1=CC=CC2=CC=CC=C12 |
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What is the SMILES representation for N'-benzyl-3-methyl-1,2-oxazole-5-carbohydrazide ? | CC1=NOC(C(=O)NNCC2=CC=CC=C2)=C1 |
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What is the SMILES notation for 4-[dichloro(methyl)silyl]butanenitrile ? | C[Si](Cl)(Cl)CCCC#N |
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Please identify the SMILES representation of the molecule named 4-tritylmorpholine . | C1=CC=C(C(C2=CC=CC=C2)(C2=CC=CC=C2)N2CCOCC2)C=C1 |
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Please write the SMILES representation of the molecule 3-methylideneheptane . | C=C(CC)CCCC |
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For the molecule with tert-butyl prop-2-enoate as the IUPAC name, what is the corresponding SMILES representation? | C=CC(=O)OC(C)(C)C |
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Can you give the SMILES notation of the molecule 2-[3,5-bis(2-amino-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetamide ? | NC(=O)CN1C(=O)N(CC(N)=O)C(=O)N(CC(N)=O)C1=O |
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Please write the SMILES representation of the molecule 2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile . | N#CC1=C(Cl)C(Cl)=C(Cl)C(C#N)=C1Cl |
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1-chloropropan-2-yl N-(3-chlorophenyl)carbamate is the IUPAC name of a molecule. Please give its SMILES representation. | CC(CCl)OC(=O)NC1=CC=CC(Cl)=C1 |
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Can you tell me the SMILES representation for the molecule (carbamoylamino)-phenylmercury ? | NC(=O)N[Hg]C1=CC=CC=C1 |
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Can you give the SMILES notation of the molecule 2-butanoyloxyethyl(trimethyl)azanium;iodide ? | CCCC(=O)OCC[N+](C)(C)C;[I-] |
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For the molecule with 1,2,6-trimethylpyridin-1-ium;iodide as the IUPAC name, what is the corresponding SMILES representation? | CC1=CC=CC(C)=[N+]1C;[I-] |
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Can you tell me the SMILES representation for the molecule N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride ? | CCN(CC)CCC1=CNC2=CC(F)=CC=C12;Cl |
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For the molecule with (1-ethylpyrrolidin-1-ium-3-yl) 2-ethoxy-2,2-diphenylacetate;chloride as the IUPAC name, what is the corresponding SMILES representation? | CCOC(C(=O)OC1CC[NH+](CC)C1)(C1=CC=CC=C1)C1=CC=CC=C1;[Cl-] |
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Please identify the SMILES representation of the molecule named 2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine . | ClC1=CC=C(C2=NC(C3=CC=CC=C3)=NC(C3=CC=CC=C3)=N2)C=C1 |
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For the molecule with 3-(azepan-1-yl)-N'-hydroxypropanimidamide as the IUPAC name, what is the corresponding SMILES representation? | NC(CCN1CCCCCC1)=NO |
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What is the SMILES representation of the molecule with IUPAC name 2-[2-(4-ethoxyphenoxy)benzimidazol-1-yl]-N,N-diethylethanamine ? | CCOC1=CC=C(OC2=NC3=CC=CC=C3N2CCN(CC)CC)C=C1 |
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disodium;[(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate is the IUPAC name of a molecule. Please give its SMILES representation. | O=C1C=CN(C2OC(COP(=O)([O-])[O-])C(O)C2O)C(=O)N1;[Na+];[Na+] |
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Please write the SMILES representation of the molecule (2-chlorophenyl) acetate . | CC(=O)OC1=CC=CC=C1Cl |
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1-(5-benzylsulfanyl-1H-indol-3-yl)-N,N-dimethylpropan-2-amine is the IUPAC name of a molecule. Please give its SMILES representation. | CC(CC1=CNC2=CC=C(SCC3=CC=CC=C3)C=C12)N(C)C |
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N,N-diethyl-N'-phenyl-N'-propan-2-ylethane-1,2-diamine is the IUPAC name of a molecule. Please give its SMILES representation. | CCN(CC)CCN(C1=CC=CC=C1)C(C)C |
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What is the SMILES representation of the molecule with IUPAC name ethyl N-(2-chloroethyl)-N-nitrosocarbamate ? | CCOC(=O)N(CCCl)N=O |
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What is the SMILES notation for dichloroiron ? | Cl[Fe]Cl |
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Please identify the SMILES representation of the molecule named [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate . | COC(=O)NC1=CC=CC(OC(=O)NC2=CC=CC(C)=C2)=C1 |
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Can you tell me the SMILES representation for the molecule dimethyl-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)-[2-(trimethylazaniumyl)ethyl]azanium;diiodide ? | C[N+](C)(C)CC[N+](C)(C)C1CC2C3=CC=CC=C3C1C1=CC=CC=C12;[I-];[I-] |
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Please write the SMILES representation of the molecule 6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-ol . | OC1=CC=C2C(C3=CC=C(OCCN4CCCCC4)C=C3)=C(C3=CC=CC=C3)CCC2=C1 |
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1-[4-[[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]ethanone The above is the IUPAC name of a molecule. Write its SMILES notation. | CC(=O)C1=CC=C(NC2OC(CO)C(O)C(O)C2O)C=C1 |
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What is the SMILES representation of the molecule with IUPAC name 2-(3-phenylprop-2-ynylidene)propanedinitrile ? | N#CC(C#N)=CC#CC1=CC=CC=C1 |
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For the molecule with benzyl-dimethyl-(2-phenoxyethyl)azanium;chloride as the IUPAC name, what is the corresponding SMILES representation? | C[N+](C)(CCOC1=CC=CC=C1)CC1=CC=CC=C1;[Cl-] |
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Could you provide the SMILES for (2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate ? | C=CCC1=CC=C(OC(=O)NC)C(OC)=C1 |
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Can you give the SMILES notation of the molecule 3-methoxy-4-(5-phenylpentoxy)aniline ? | COC1=CC(N)=CC=C1OCCCCCC1=CC=CC=C1 |
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1-O-benzyl 2-O-[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzene-1,2-dicarboxylate is the IUPAC name of a molecule. Please give its SMILES representation. | CC(C)C(=O)OCC(C)(C)C(OC(=O)C1=CC=CC=C1C(=O)OCC1=CC=CC=C1)C(C)C |
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What is the SMILES representation of the molecule with IUPAC name 2-[4-[(2,6-dimethylphenyl)carbamoyl]quinolin-2-yl]oxyethyl-diethylazanium;chloride ? | CC[NH+](CC)CCOC1=CC(C(=O)NC2=C(C)C=CC=C2C)=C2C=CC=CC2=N1;[Cl-] |
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Please identify the SMILES representation of the molecule named 2-(ethoxymethyl)-1,3-dihydroxyanthracene-9,10-dione . | CCOCC1=C(O)C=C2C(=O)C3=CC=CC=C3C(=O)C2=C1O |
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7-methoxy-2,2-dimethylchromene is the IUPAC name of a molecule. Please give its SMILES representation. | COC1=CC=C2C=CC(C)(C)OC2=C1 |
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ethyl icosanoate The above is the IUPAC name of a molecule. Write its SMILES notation. | CCCCCCCCCCCCCCCCCCCC(=O)OCC |
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Please identify the SMILES representation of the molecule named 2-[bis(4-methylphenyl)methoxy]ethyl-dimethylazanium;chloride . | CC1=CC=C(C(OCC[NH+](C)C)C2=CC=C(C)C=C2)C=C1;[Cl-] |
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What is the SMILES notation for 2-propan-2-yl-5-propyl-1,3-dioxane ? | CCCC1COC(C(C)C)OC1 |
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2-hydroxyethyl methanesulfonate The above is the IUPAC name of a molecule. Write its SMILES notation. | CS(=O)(=O)OCCO |
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What is the SMILES representation for diethyl 2-(2-methoxyethyl)-2-methylpropanedioate ? | CCOC(=O)C(C)(CCOC)C(=O)OCC |
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Can you tell me the SMILES representation for the molecule (5-amino-5-oxopentyl)-trimethylazanium;bromide ? | C[N+](C)(C)CCCCC(N)=O;[Br-] |
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What is the SMILES notation for 2-amino-3-ethylsulfanylpropanoic acid ? | CCSCC(N)C(=O)O |
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For the molecule with nonanal as the IUPAC name, what is the corresponding SMILES representation? | CCCCCCCCC=O |
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Please identify the SMILES representation of the molecule named 2-methoxyethylmercury(1+);trihydroxy(oxido)silane . | COCC[Hg+];[O-][Si](O)(O)O |
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(5-hydroxy-4,4-diphenylheptan-2-yl)-dimethylazanium;chloride is the IUPAC name of a molecule. Please give its SMILES representation. | CCC(O)C(CC(C)[NH+](C)C)(C1=CC=CC=C1)C1=CC=CC=C1;[Cl-] |
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What is the SMILES representation of the molecule with IUPAC name 3-benzhydrylidene-1-ethylpyrrolidine;hydrochloride ? | CCN1CCC(=C(C2=CC=CC=C2)C2=CC=CC=C2)C1;Cl |
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What is the SMILES notation for zinc;dipermanganate ? | O=[Mn](=O)(=O)[O-];O=[Mn](=O)(=O)[O-];[Zn+2] |
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Please write the SMILES representation of the molecule 3-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one . | COC1=CC=CC=C1N1CCN(C(=O)CC(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)CC1 |
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Please identify the SMILES representation of the molecule named 5,6-dimethoxy-N-methylnaphthalen-1-amine . | CNC1=CC=CC2=C(OC)C(OC)=CC=C12 |
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butyl-phenyl-phenylsulfanylarsane The above is the IUPAC name of a molecule. Write its SMILES notation. | CCCC[As](SC1=CC=CC=C1)C1=CC=CC=C1 |
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Please identify the SMILES representation of the molecule named N,N-dipropyl-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine . | CCCN(CCC)C1=NC(C(Cl)(Cl)Cl)=NC(C(Cl)(Cl)Cl)=N1 |
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Please identify the SMILES representation of the molecule named 2-methoxyoct-2-en-4-one . | CCCCC(=O)C=C(C)OC |
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What is the SMILES representation for 4,4,4-trichloro-N,N-diethyl-3-hydroxybutanamide ? | CCN(CC)C(=O)CC(O)C(Cl)(Cl)Cl |
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Please write the SMILES representation of the molecule [(1S)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium;chloride . | C[NH2+]C1CCCC2=C(OC)C=CC(Cl)=C21;[Cl-] |
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Could you provide the SMILES for 6-(diazomethyl)-1,3,5-triazine-2,4-diamine ? | [N-]=[N+]=CC1=NC(N)=NC(N)=N1 |
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2-[bis(methylsulfanyl)methyl]-4-(dichloromethyl)-6-methyl-1,3,5-triazine The above is the IUPAC name of a molecule. Write its SMILES notation. | CSC(SC)C1=NC(C)=NC(C(Cl)Cl)=N1 |
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N-(2-chloroethyl)-3-phenylprop-2-enamide is the IUPAC name of a molecule. Please give its SMILES representation. | O=C(C=CC1=CC=CC=C1)NCCCl |
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Convert the IUPAC name of a molecule 2-butoxy-4-methyl-6-(trichloromethyl)-1,3,5-triazine into SMILES representation. | CCCCOC1=NC(C)=NC(C(Cl)(Cl)Cl)=N1 |
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Can you tell me the SMILES representation for the molecule 2-morpholin-4-ium-2-ylethyl 2-(2-methoxyphenoxy)acetate;chloride ? | COC1=CC=CC=C1OCC(=O)OCCC1C[NH2+]CCO1;[Cl-] |
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For the molecule with (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium;chloride as the IUPAC name, what is the corresponding SMILES representation? | [Cl-];[NH3+]C1CCCOC2=CC(Cl)=CC=C21 |
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What is the SMILES representation for N-[2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-methylprop-2-en-1-amine ? | C=C(C)CNCCC1=C(C)NC2=CC=C(OC)C(C)=C12 |
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What is the SMILES notation for [(1S,2S)-2-piperidin-1-ium-1-ylcyclohexyl] N-(4-hexoxyphenyl)carbamate;chloride ? | CCCCCCOC1=CC=C(NC(=O)OC2CCCCC2[NH+]2CCCCC2)C=C1;[Cl-] |
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Can you give the SMILES notation of the molecule 1-(1,2-oxazolidin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one ? | COC1=CC(C=CC(=O)N2CCCO2)=CC(OC)=C1OC |
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What is the SMILES notation for 9-N,9-N,5,7-tetramethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaene-4,9-diamine ? | CC1=CC(N(C)C)=C2N=CN=C2C2=C1N(C)C(N)=N2 |
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Convert the IUPAC name of a molecule 2-hydroxy-2-oxoacetate;2-[[5-(1-hydroxy-3-phenylpropyl)-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium into SMILES representation. | COC1=C(C(O)CCC2=CC=CC=C2)C(OCC[NH+](C)C)=C(OC)C2=C1C=CO2;O=C([O-])C(=O)O |
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What is the SMILES notation for N-hydroxy-N-(morpholin-4-ylmethyl)benzamide ? | O=C(C1=CC=CC=C1)N(O)CN1CCOCC1 |
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(3S,4R)-2,3,8-trimethyl-4-phenyl-3,4-dihydroisoquinolin-1-one is the IUPAC name of a molecule. Please give its SMILES representation. | CC1=CC=CC2=C1C(=O)N(C)C(C)C2C1=CC=CC=C1 |
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Can you give the SMILES notation of the molecule 4-ethyl-4-methyloxolan-2-one ? | CCC1(C)COC(=O)C1 |
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For the molecule with triethyl-(6-hydroxy-6-phenylhex-4-ynyl)azanium;iodide as the IUPAC name, what is the corresponding SMILES representation? | CC[N+](CC)(CC)CCCC#CC(O)C1=CC=CC=C1;[I-] |
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