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Could you provide the SMILES for 2-(3,4,4-trifluorobut-3-enylsulfanyl)pyrimidine ? | FC(F)=C(F)CCSC1=NC=CC=N1 |
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Please write the SMILES representation of the molecule 3-bromo-1,1,1-trifluoropropan-2-one . | O=C(CBr)C(F)(F)F |
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What is the SMILES notation for 2-chloroethanethioic S-acid ? | O=C(S)CCl |
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Could you provide the SMILES for dodecyl N,N'-dimethylcarbamimidothioate ? | CCCCCCCCCCCCSC(=NC)NC |
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Can you give the SMILES notation of the molecule N',N'-diethyl-N-methylpropane-1,3-diamine ? | CCN(CC)CCCNC |
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What is the SMILES representation for 6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione ? | CC1(C)OC(=O)C2(CC2)C(=O)O1 |
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Can you tell me the SMILES representation for the molecule azonane ? | C1CCCCNCCC1 |
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Convert the IUPAC name of a molecule 2-(4-methylphenyl)sulfonylacetonitrile into SMILES representation. | CC1=CC=C(S(=O)(=O)CC#N)C=C1 |
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What is the SMILES representation for (2-hydroxyphenyl) benzoate ? | O=C(OC1=CC=CC=C1O)C1=CC=CC=C1 |
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Convert the IUPAC name of a molecule 8-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione into SMILES representation. | O=C1OC(=O)C2=C3C1=CC=CC3=C([N+](=O)[O-])C=C2 |
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Can you give the SMILES notation of the molecule disodium;4-[2-oxo-5-(4-sulfonatophenyl)-1,3-dihydroimidazol-4-yl]benzenesulfonate ? | O=C1NC(C2=CC=C(S(=O)(=O)[O-])C=C2)=C(C2=CC=C(S(=O)(=O)[O-])C=C2)N1;[Na+];[Na+] |
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For the molecule with 2,2-bis(hydroxymethyl)butyl prop-2-enoate as the IUPAC name, what is the corresponding SMILES representation? | C=CC(=O)OCC(CC)(CO)CO |
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What is the SMILES notation for 1-hydroxy-3-phenylurea ? | O=C(NO)NC1=CC=CC=C1 |
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What is the SMILES notation for oxo(dipropyl)tin ? | CCC[Sn](=O)CCC |
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Please write the SMILES representation of the molecule 4-(2-methoxyethyl)morpholine . | COCCN1CCOCC1 |
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For the molecule with 2-methoxy-5-nitrobenzonitrile as the IUPAC name, what is the corresponding SMILES representation? | COC1=CC=C([N+](=O)[O-])C=C1C#N |
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What is the SMILES representation of the molecule with IUPAC name potassium;dioxoalumanuide ? | O=[Al-]=O;[K+] |
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Could you provide the SMILES for 1-[ethoxy(methyl)phosphoryl]sulfanylpropane ? | CCCSP(C)(=O)OCC |
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For the molecule with methyl (1R,2S,3R,5S)-8-methyl-3-phenacyl-8-azabicyclo[3.2.1]octane-2-carboxylate;nitric acid as the IUPAC name, what is the corresponding SMILES representation? | COC(=O)C1C(CC(=O)C2=CC=CC=C2)CC2CCC1N2C;O=[N+]([O-])O |
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methyl (1R,2S,3R,5S)-8-methyl-3-phenacyl-8-azabicyclo[3.2.1]octane-2-carboxylate The above is the IUPAC name of a molecule. Write its SMILES notation. | COC(=O)C1C(CC(=O)C2=CC=CC=C2)CC2CCC1N2C |
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Please identify the SMILES representation of the molecule named 5-[(3aS,4S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-(125I)iodanylphenyl)propanoylamino]ethyl]pentanamide . | O=C(CCCCC1C2NC(=O)NC2CS1=O)NCCNC(=O)CCC1=CC=C(O)C(I)=C1 |
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What is the SMILES representation for methyl 4-amino-3,5,6-trichloropyridine-2-carboxylate ? | COC(=O)C1=NC(Cl)=C(Cl)C(N)=C1Cl |
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What is the SMILES notation for 2-benzyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide ? | CC1(C)COP(=O)(CC2=CC=CC=C2)OC1 |
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Could you provide the SMILES for 2-ethoxy-3,4-dimethyl-2-phenylmorpholine ? | CCOC1(C2=CC=CC=C2)OCCN(C)C1C |
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What is the SMILES representation of the molecule with IUPAC name propan-2-yl 1-(4-nitrophenyl)sulfonylcyclobutane-1-carboxylate ? | CC(C)OC(=O)C1(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)CCC1 |
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What is the SMILES representation of the molecule with IUPAC name 3,4-dibromo-1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-ene ? | ClC1=C(Cl)C2(Cl)C3C(Br)C(Br)CC3C1(Cl)C2(Cl)Cl |
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The IUPAC name of a certain molecule is 5-(3-methylbutyl)-5-propyl-1,3-diazinane-2,4,6-trione . Can you provide its SMILES representation? | CCCC1(CCC(C)C)C(=O)NC(=O)NC1=O |
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Could you provide the SMILES for bis(trimethylsilyl) propanedioate ? | C[Si](C)(C)OC(=O)CC(=O)O[Si](C)(C)C |
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The IUPAC name of a certain molecule is 2-butoxyethyl nonanoate . Can you provide its SMILES representation? | CCCCCCCCC(=O)OCCOCCCC |
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Can you tell me the SMILES representation for the molecule 4-(diethylamino)-2-hydroxybenzoic acid ? | CCN(CC)C1=CC=C(C(=O)O)C(O)=C1 |
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Please identify the SMILES representation of the molecule named 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid . | CC1=C(C(=O)O)C(C2=CC=CC=C2Cl)=NO1 |
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What is the SMILES representation of the molecule with IUPAC name 1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione ? | O=C1CCC(=O)N1C1=CC(Cl)=CC(Cl)=C1 |
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Please write the SMILES representation of the molecule 3-diazo-N-(2-ethylphenyl)-6-(4-methylphenyl)sulfonyliminocyclohexa-1,4-diene-1-sulfonamide . | CCC1=CC=CC=C1NS(=O)(=O)C1=CC(=[N+]=[N-])C=CC1=NS(=O)(=O)C1=CC=C(C)C=C1 |
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The IUPAC name of a certain molecule is butan-2-yl 2-methylpropanoate . Can you provide its SMILES representation? | CCC(C)OC(=O)C(C)C |
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What is the SMILES representation for (2S)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile ? | N#CC(OC1OC(CO)C(O)C(O)C1O)C1=CC=CC=C1 |
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What is the SMILES representation of the molecule with IUPAC name 1,5-dimethyl-9-oxabicyclo[6.1.0]non-4-ene ? | CC1=CCCC2(C)OC2CC1 |
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For the molecule with (3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol as the IUPAC name, what is the corresponding SMILES representation? | CC1(C)CCC2(C)CC=C3C(C)(CCC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1 |
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Can you give the SMILES notation of the molecule 1-[hexyl(octyl)phosphoryl]octane ? | CCCCCCCCP(=O)(CCCCCC)CCCCCCCC |
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Could you provide the SMILES for 3,7-dimethyloct-2-enal ? | CC(=CC=O)CCCC(C)C |
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Convert the IUPAC name of a molecule diethoxy(1,2,4-triazol-1-yl)phosphane into SMILES representation. | CCOP(OCC)N1C=NC=N1 |
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Convert the IUPAC name of a molecule 3-methylbut-2-enenitrile into SMILES representation. | CC(C)=CC#N |
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Can you give the SMILES notation of the molecule 5-ethyl-5-[[(5-ethyl-2-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methoxy-methylphosphoryl]oxymethyl]-2-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide ? | CCC1(COP(C)(=O)OCC2(CC)COP(C)(=O)OC2)COP(C)(=O)OC1 |
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Please identify the SMILES representation of the molecule named iodo(triphenyl)stannane . | I[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
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Can you give the SMILES notation of the molecule N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2lambda5-oxazaphosphinan-2-amine ? | S=P1(N(CCCl)CCCl)NCCCO1 |
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3,5-dimethyl-4-nitro-1-oxidopyridin-1-ium The above is the IUPAC name of a molecule. Write its SMILES notation. | CC1=C[N+]([O-])=CC(C)=C1[N+](=O)[O-] |
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Can you tell me the SMILES representation for the molecule 2-(2-fluorophenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole ? | FC1=CC=CC=C1C1=NN=C(C2=CC=CC3=CC=CC=C23)O1 |
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The IUPAC name of a certain molecule is triphenylstibane;dihydrate . Can you provide its SMILES representation? | C1=CC=C([Sb](C2=CC=CC=C2)C2=CC=CC=C2)C=C1;O;O |
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Convert the IUPAC name of a molecule 1-chloro-4-[2-(4-chlorophenyl)ethynyl]benzene into SMILES representation. | ClC1=CC=C(C#CC2=CC=C(Cl)C=C2)C=C1 |
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Can you tell me the SMILES representation for the molecule 2-heptadec-8-enyl-4,5-dihydro-1,3-oxazole ? | CCCCCCCCC=CCCCCCCCC1=NCCO1 |
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Could you provide the SMILES for 3,3,4,4-tetrafluorobutan-2-yl carbamate ? | CC(OC(N)=O)C(F)(F)C(F)F |
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What is the SMILES notation for 1-chloro-4-[2-chloro-1-(4-chlorophenyl)ethenyl]benzene ? | ClC=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 |
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2-[(3-hydroxypropylamino)methyl]-6-methoxy-4-prop-2-enylphenol is the IUPAC name of a molecule. Please give its SMILES representation. | C=CCC1=CC(CNCCCO)=C(O)C(OC)=C1 |
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N-dimethoxyphosphoryl-N-ethylethanamine The above is the IUPAC name of a molecule. Write its SMILES notation. | CCN(CC)P(=O)(OC)OC |
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What is the SMILES notation for 2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-ol ? | O=P1(N(CCCl)CCCl)NC(O)CCO1 |
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What is the SMILES notation for diethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate ? | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C1=CC=CN=C1 |
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Please identify the SMILES representation of the molecule named 1-(hydroxyamino)cyclohexane-1-carboxylic acid . | O=C(O)C1(NO)CCCCC1 |
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What is the SMILES notation for 3-chloro-2-nitroaniline ? | NC1=CC=CC(Cl)=C1[N+](=O)[O-] |
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What is the SMILES representation of the molecule with IUPAC name 6-bromo-1H-pyrimidine-2,4-dione ? | O=C1C=C(Br)NC(=O)N1 |
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phenylmethanamine;trifluoroborane is the IUPAC name of a molecule. Please give its SMILES representation. | FB(F)F;NCC1=CC=CC=C1 |
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Can you tell me the SMILES representation for the molecule [(1R,2S,5R,6R,9S,10S,12R,13R,15S)-13-bromo-5-methyl-6-[(2R)-6-methylheptan-2-yl]-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadecan-15-yl] acetate ? | CC(=O)OC1CCC23COC(CC4C5CCC(C(C)CCCC(C)C)C5(C)CCC42)C3(Br)C1 |
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Could you provide the SMILES for 2-[(4-propan-2-ylphenoxy)methyl]oxirane ? | CC(C)C1=CC=C(OCC2CO2)C=C1 |
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What is the SMILES representation for ethyl 8-ethyl-2-methylsulfanyl-5-oxo-6,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate ? | CCOC(=O)C1CN(CC)C2=NC(SC)=NC=C2C1=O |
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Convert the IUPAC name of a molecule 2-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol into SMILES representation. | COC1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1 |
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disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate is the IUPAC name of a molecule. Please give its SMILES representation. | [Na+];[Na+];[O-]C1=CC=C(N=NC2=CC=CC=N2)C([O-])=C1 |
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For the molecule with (sulfanylcarbonyltetrasulfanyl)methanethioic S-acid as the IUPAC name, what is the corresponding SMILES representation? | O=C(S)SSSSC(=O)S |
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What is the SMILES representation for (4-amino-3-nitrophenyl) thiocyanate ? | N#CSC1=CC=C(N)C([N+](=O)[O-])=C1 |
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Can you give the SMILES notation of the molecule (2S)-pyrrolidine-2-carbodithioic acid ? | S=C(S)C1CCCN1 |
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Convert the IUPAC name of a molecule europium(3+) into SMILES representation. | [Eu+3] |
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What is the SMILES representation of the molecule with IUPAC name N-tert-butyl-3-(2,5-dimethylphenoxy)benzamide ? | CC1=CC=C(C)C(OC2=CC=CC(C(=O)NC(C)(C)C)=C2)=C1 |
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Convert the IUPAC name of a molecule N-[3-(dimethylamino)propyl]octadec-9-enamide;propanoic acid into SMILES representation. | CCC(=O)O;CCCCCCCCC=CCCCCCCCC(=O)NCCCN(C)C |
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(3,5-dimethylcyclohex-3-en-1-yl)methanol The above is the IUPAC name of a molecule. Write its SMILES notation. | CC1=CC(C)CC(CO)C1 |
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Can you tell me the SMILES representation for the molecule ethyl 3-methyl-4-oxoheptanoate ? | CCCC(=O)C(C)CC(=O)OCC |
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Convert the IUPAC name of a molecule 3-[2-cyanoethyl(2,3-dihydroxypropyl)amino]propanenitrile into SMILES representation. | N#CCCN(CCC#N)CC(O)CO |
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7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3,4-dimethyl-4a,8a-dihydrochromen-2-one;dihydrochloride The above is the IUPAC name of a molecule. Write its SMILES notation. | CC1=C(C)C2C=CC(OCCCN3CCN(CC4=CC=C(Cl)C=C4)CC3)=CC2OC1=O;Cl;Cl |
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For the molecule with tris[2-(2-methoxypropoxy)propyl] borate as the IUPAC name, what is the corresponding SMILES representation? | COC(C)COC(C)COB(OCC(C)OCC(C)OC)OCC(C)OCC(C)OC |
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Can you tell me the SMILES representation for the molecule 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydrochloride ? | CCN(CC)C1=CC=C(N)C(C)=C1;Cl |
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Convert the IUPAC name of a molecule dodecyl-diethoxy-methylsilane into SMILES representation. | CCCCCCCCCCCC[Si](C)(OCC)OCC |
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1,1-dimethoxy-3,7-dimethyloctane The above is the IUPAC name of a molecule. Write its SMILES notation. | COC(CC(C)CCCC(C)C)OC |
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Can you give the SMILES notation of the molecule 2,4,9-tribromo-1,5-dichlorodecane ? | CC(Br)CCCC(Cl)C(Br)CC(Br)CCl |
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Convert the IUPAC name of a molecule 4-[(2-hydroxynaphthalen-1-yl)diazenyl]-N-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzamide into SMILES representation. | O=C(NC1=CC=C(N=NC2=C(O)C=CC3=CC=CC=C23)C=C1)C1=CC=C(N=NC2=C(O)C=CC3=CC=CC=C23)C=C1 |
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Could you provide the SMILES for (2-methyl-5-oxocyclopenten-1-yl) butanoate ? | CCCC(=O)OC1=C(C)CCC1=O |
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2-[N-(2-cyanoethyl)anilino]ethyl propanoate The above is the IUPAC name of a molecule. Write its SMILES notation. | CCC(=O)OCCN(CCC#N)C1=CC=CC=C1 |
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Can you tell me the SMILES representation for the molecule calcium;2-[(2-aminoethylamino)methyl]-4-dodecylphenolate ? | CCCCCCCCCCCCC1=CC=C([O-])C(CNCCN)=C1;CCCCCCCCCCCCC1=CC=C([O-])C(CNCCN)=C1;[Ca+2] |
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Can you tell me the SMILES representation for the molecule 2,2-bis(hydroxymethyl)butyl 16-methylheptadecanoate ? | CCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCC(C)C |
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For the molecule with 1,3-diphenylpropan-1-amine as the IUPAC name, what is the corresponding SMILES representation? | NC(CCC1=CC=CC=C1)C1=CC=CC=C1 |
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What is the SMILES representation for 3-methyl-1-[(3-methylpiperidin-1-yl)methyl]piperidine ? | CC1CCCN(CN2CCCC(C)C2)C1 |
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The IUPAC name of a certain molecule is sodium;2-[3-(2-hydroxyethyl)-2-octyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide . Can you provide its SMILES representation? | CCCCCCCCC1=[N+](CC(=O)[O-])CCN1CCO;[Na+];[OH-] |
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Could you provide the SMILES for methyl 2-[formyl(methyl)amino]acetate ? | COC(=O)CN(C)C=O |
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Convert the IUPAC name of a molecule disodium;3-[1-[2-(2-carboxylatoethoxy)ethyl]-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]propanoate;hydroxide into SMILES representation. | CCCCCCCCCCCC1=NCC[N+]1(CCOCCC(=O)[O-])CCC(=O)[O-];[Na+];[Na+];[OH-] |
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Could you provide the SMILES for 3-[(6-amino-3,5,5-trimethylhexyl)amino]propanenitrile ? | CC(CCNCCC#N)CC(C)(C)CN |
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4-[2-[2-[[5,6-dimethoxy-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-2-sulfonic acid is the IUPAC name of a molecule. Please give its SMILES representation. | CCC(=CC1=[N+](CCCS(=O)(=O)O)C2=CC(OC)=C(OC)C=C2S1)C=C1OC2=CC=C(C3=CC=CC=C3)C=C2N1CCC(C)S(=O)(=O)O |
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Could you provide the SMILES for 4-tert-butyl-2-[(4-tert-butyl-2-hydroxyphenyl)disulfanyl]phenol ? | CC(C)(C)C1=CC=C(SSC2=CC(C(C)(C)C)=CC=C2O)C(O)=C1 |
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Please identify the SMILES representation of the molecule named (6aR,9S,10R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-10-ol . | CC1CN(C)C2CC3=CNC4=CC=CC(=C34)C2C1O |
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The IUPAC name of a certain molecule is 1-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)propan-1-one . Can you provide its SMILES representation? | CCC(=O)N1CC2CCC(C1)N2C(=O)CC |
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What is the SMILES representation for 1-methylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2,5-dione ? | CN1C(=O)CC2(C1=O)C1=CC=CC=C1CCC1=CC=CC=C12 |
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Could you provide the SMILES for 2-(pentylideneamino)ethyl 2,3-dimethoxybenzoate ? | CCCCC=NCCOC(=O)C1=CC=CC(OC)=C1OC |
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Convert the IUPAC name of a molecule N'-(cycloheptylmethyl)-2-sulfanylethanimidamide;hydrate;dihydrochloride into SMILES representation. | Cl;Cl;NC(CS)=NCC1CCCCCC1;NC(CS)=NCC1CCCCCC1;O |
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2-[(4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile is the IUPAC name of a molecule. Please give its SMILES representation. | CC1=CC=C(NN=C(C#N)C#N)C([N+](=O)[O-])=C1 |
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2-[3-oxo-1,3-bis(4-pentoxyphenyl)propyl]cyclohexan-1-one is the IUPAC name of a molecule. Please give its SMILES representation. | CCCCCOC1=CC=C(C(=O)CC(C2=CC=C(OCCCCC)C=C2)C2CCCCC2=O)C=C1 |
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For the molecule with [2-(carbamoyloxymethyl)-2-methylpentyl] N-ethylcarbamate as the IUPAC name, what is the corresponding SMILES representation? | CCCC(C)(COC(N)=O)COC(=O)NCC |
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