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What is the SMILES representation for 2-benzyl-3-methyl-4-[methyl(2-phenylethyl)amino]-1-phenylbutan-2-ol;oxalic acid ? | CC(CN(C)CCC1=CC=CC=C1)C(O)(CC1=CC=CC=C1)CC1=CC=CC=C1;O=C(O)C(=O)O |
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What is the SMILES notation for (1-methyl-4-phenylpiperidin-4-yl)methanol ? | CN1CCC(CO)(C2=CC=CC=C2)CC1 |
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Can you tell me the SMILES representation for the molecule N,1-diphenyl-1,2,4-triazol-4-ium-4-amine ? | C1=CC=C(N[N+]2=CN(C3=CC=CC=C3)N=C2)C=C1 |
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N-[bis(diethylaminomethyl)phosphorylmethyl]-N-ethylethanamine is the IUPAC name of a molecule. Please give its SMILES representation. | CCN(CC)CP(=O)(CN(CC)CC)CN(CC)CC |
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What is the SMILES notation for 2-phenyl-4,5-dihydro-1,3-thiazole ? | C1=CC=C(C2=NCCS2)C=C1 |
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Could you provide the SMILES for N,2-dipropylpentanamide ? | CCCNC(=O)C(CCC)CCC |
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Can you give the SMILES notation of the molecule 4-propylpiperazine-1-carbodithioic acid ? | CCCN1CCN(C(=S)S)CC1 |
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3-morpholin-4-yl-2-phenylpropan-1-ol is the IUPAC name of a molecule. Please give its SMILES representation. | OCC(CN1CCOCC1)C1=CC=CC=C1 |
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What is the SMILES representation for azepan-2-yl(diphenyl)methanol;hydrochloride ? | Cl;OC(C1=CC=CC=C1)(C1=CC=CC=C1)C1CCCCCN1 |
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Could you provide the SMILES for [3-(diethylaminomethyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2,2-diphenylacetate ? | CCN(CC)CC1C2CCC(C)(C1OC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1)C2(C)C |
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Please write the SMILES representation of the molecule N,N-diethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanamine . | CCN(CC)CCOCC12CCC(C3=CC=CC=C31)C1=CC=CC=C12 |
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For the molecule with 3-(azepan-1-yl)-1-phenylpropan-1-one as the IUPAC name, what is the corresponding SMILES representation? | O=C(CCN1CCCCCC1)C1=CC=CC=C1 |
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The IUPAC name of a certain molecule is 1-N,4-N-bis(1-pentylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide;4-methylbenzenesulfonate . Can you provide its SMILES representation? | CC1=CC=C(S(=O)(=O)[O-])C=C1;CC1=CC=C(S(=O)(=O)[O-])C=C1;CCCCC[N+]1=CC=CC2=CC(NC(=O)C3=CC=C(C(=O)NC4=CC=C5C(=C4)C=CC=[N+]5CCCCC)C=C3)=CC=C21 |
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What is the SMILES representation for diethyl-[2-[4-[(2-heptoxybenzoyl)amino]benzoyl]oxyethyl]-methylazanium;bromide ? | CCCCCCCOC1=CC=CC=C1C(=O)NC1=CC=C(C(=O)OCC[N+](C)(CC)CC)C=C1;[Br-] |
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The IUPAC name of a certain molecule is 5,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium;perchlorate . Can you provide its SMILES representation? | CC1=CC(C)=[N+]2C=CSC2=N1;[O-][Cl+3]([O-])([O-])[O-] |
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The IUPAC name of a certain molecule is [5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate . Can you provide its SMILES representation? | CCC(=O)OC1(C2=CC=CC=C2)CC(C)N(C)CC1(C)CN(CC)CC |
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Can you tell me the SMILES representation for the molecule 5-(dimethylamino)-6-methyl-1-phenylpyrimidine-2,4-dione ? | CC1=C(N(C)C)C(=O)NC(=O)N1C1=CC=CC=C1 |
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Convert the IUPAC name of a molecule 4-methyl-2-(2-morpholin-4-ylethyl)-6-phenyl-4,5-dihydropyridazin-3-one into SMILES representation. | CC1CC(C2=CC=CC=C2)=NN(CCN2CCOCC2)C1=O |
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For the molecule with 1-(tert-butylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol as the IUPAC name, what is the corresponding SMILES representation? | CC(C)(C)NCC(O)COCC1COC2=CC=CC=C2O1 |
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Please write the SMILES representation of the molecule (2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-2-phenylbutan-2-yl]pyrrolidine-2-carboxamide . | CCC(NC(=O)C1CCCN1)(C(=O)NCC(N)=O)C1=CC=CC=C1 |
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What is the SMILES representation of the molecule with IUPAC name 3-(16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-16-yl)-N,N-dimethylpropan-1-amine;dihydrochloride ? | CN(C)CCCN1CC2=CC=CC3=C2C(C1)C1=CC=CC=C1CC3;Cl;Cl |
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What is the SMILES representation for 2-chloro-4-dimethoxyphosphinothioyloxy-N,N-diethylbenzenesulfonamide ? | CCN(CC)S(=O)(=O)C1=CC=C(OP(=S)(OC)OC)C=C1Cl |
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Could you provide the SMILES for 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one ? | COC1=CC(C(=O)CCN2CCN(C3=CC=CC(C(F)(F)F)=C3)CC2)=CC(OC)=C1OC |
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Convert the IUPAC name of a molecule 2-methylpropyl 4-[2-[cyclohexyl(propyl)amino]ethyl]piperazine-1-carboxylate into SMILES representation. | CCCN(CCN1CCN(C(=O)OCC(C)C)CC1)C1CCCCC1 |
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Please write the SMILES representation of the molecule 1-(3-ethyl-4-hexoxyphenyl)-3-piperidin-1-ylpropan-1-one . | CCCCCCOC1=CC=C(C(=O)CCN2CCCCC2)C=C1CC |
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5-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride is the IUPAC name of a molecule. Please give its SMILES representation. | CN1CCN(CC2CN(C3=CC=CC=C3)C(=O)O2)CC1;Cl;Cl |
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Please write the SMILES representation of the molecule (3-benzoyl-1-methylpiperidin-3-yl) 4-hydroxybenzoate;hydrochloride . | CN1CCCC(OC(=O)C2=CC=C(O)C=C2)(C(=O)C2=CC=CC=C2)C1;Cl |
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What is the SMILES representation of the molecule with IUPAC name 6-nitro-4-oxochromene-2-carboxamide ? | NC(=O)C1=CC(=O)C2=CC([N+](=O)[O-])=CC=C2O1 |
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Please identify the SMILES representation of the molecule named 1-(4-chlorophenyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea . | CC1=C(C)OC(NC(=O)NC2=CC=C(Cl)C=C2)=N1 |
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Convert the IUPAC name of a molecule (2-methoxyphenyl) thiophene-2-carboxylate into SMILES representation. | COC1=CC=CC=C1OC(=O)C1=CC=CS1 |
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Can you give the SMILES notation of the molecule 4-amino-N-pyridin-3-ylbenzamide;hydrochloride ? | Cl;NC1=CC=C(C(=O)NC2=CC=CN=C2)C=C1 |
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Please identify the SMILES representation of the molecule named 2-piperidin-1-ylethyl 2,2-bis(4-chlorophenyl)cyclopropane-1-carboxylate . | O=C(OCCN1CCCCC1)C1CC1(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 |
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Please identify the SMILES representation of the molecule named 4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine . | CC1CC(C)(C)N=C(NC2=CC=CC=C2)O1 |
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3-[9-(3-oxopropylamino)nonylamino]propanal;dihydrochloride is the IUPAC name of a molecule. Please give its SMILES representation. | Cl;Cl;O=CCCNCCCCCCCCCNCCC=O |
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Can you give the SMILES notation of the molecule [1-[benzyl(methyl)amino]-3-(5,6,7-trimethoxy-1-oxophthalazin-2-yl)propan-2-yl] 3,4,5-trimethoxybenzoate;hydrochloride ? | COC1=CC(C(=O)OC(CN(C)CC2=CC=CC=C2)CN2N=CC3=C(OC)C(OC)=C(OC)C=C3C2=O)=CC(OC)=C1OC;Cl |
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Please identify the SMILES representation of the molecule named 3-[5-(5-iodopyridin-2-yl)oxypentyl]-1,3-thiazolidine . | IC1=CC=C(OCCCCCN2CCSC2)N=C1 |
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Can you give the SMILES notation of the molecule 2-[(2,4-dichlorophenoxy)methyl]oxirane ? | ClC1=CC=C(OCC2CO2)C(Cl)=C1 |
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Could you provide the SMILES for 4-methylpentan-1-amine ? | CC(C)CCCN |
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Can you tell me the SMILES representation for the molecule [2-(benzenesulfonyl)-1-bromoethyl]benzene ? | O=S(=O)(CC(Br)C1=CC=CC=C1)C1=CC=CC=C1 |
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The IUPAC name of a certain molecule is (2-nitro-1-nitrosoethyl)benzene . Can you provide its SMILES representation? | O=NC(C[N+](=O)[O-])C1=CC=CC=C1 |
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For the molecule with 2-(4-methoxyphenyl)propanal as the IUPAC name, what is the corresponding SMILES representation? | COC1=CC=C(C(C)C=O)C=C1 |
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Please identify the SMILES representation of the molecule named bis(2-chloroethyl) sulfite . | O=S(OCCCl)OCCCl |
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Can you tell me the SMILES representation for the molecule 1-[2,4-di(propan-2-yl)phenyl]-2,3-dimorpholin-4-yl-3-phenylpropan-1-one ? | CC(C)C1=CC=C(C(=O)C(C(C2=CC=CC=C2)N2CCOCC2)N2CCOCC2)C(C(C)C)=C1 |
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(4-bromophenyl) 4-methoxybenzoate The above is the IUPAC name of a molecule. Write its SMILES notation. | COC1=CC=C(C(=O)OC2=CC=C(Br)C=C2)C=C1 |
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naphthalen-2-yl 4-nitrobenzoate The above is the IUPAC name of a molecule. Write its SMILES notation. | O=C(OC1=CC=C2C=CC=CC2=C1)C1=CC=C([N+](=O)[O-])C=C1 |
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Please identify the SMILES representation of the molecule named N-butyl-2-methylpropanamide . | CCCCNC(=O)C(C)C |
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Convert the IUPAC name of a molecule (4-tert-butyl-3-methylphenyl) 2-chloroacetate into SMILES representation. | CC1=CC(OC(=O)CCl)=CC=C1C(C)(C)C |
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What is the SMILES notation for [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-diethoxy-sulfanylidene-lambda5-phosphane ? | CCOP(=S)(OCC)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1 |
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Could you provide the SMILES for N-(4-ethoxyphenyl)-2-methyl-1H-imidazole-5-carboxamide ? | CCOC1=CC=C(NC(=O)C2=CN=C(C)N2)C=C1 |
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Can you tell me the SMILES representation for the molecule diethyl 2-(1,3-benzodioxol-5-ylmethyl)butanedioate ? | CCOC(=O)CC(CC1=CC=C2OCOC2=C1)C(=O)OCC |
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The IUPAC name of a certain molecule is 2,3,5-trifluoro-6-nitroaniline . Can you provide its SMILES representation? | NC1=C(F)C(F)=CC(F)=C1[N+](=O)[O-] |
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Please identify the SMILES representation of the molecule named 2-fluoro-1-methoxy-4-nitrobenzene . | COC1=CC=C([N+](=O)[O-])C=C1F |
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Can you tell me the SMILES representation for the molecule 4-amino-N-(5,5-dimethyl-4H-1,3-thiazol-2-yl)benzenesulfonamide ? | CC1(C)CN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1 |
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Convert the IUPAC name of a molecule decyl carbamate into SMILES representation. | CCCCCCCCCCOC(N)=O |
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What is the SMILES notation for [3,5-dimethyl-4-(methylcarbamoyloxy)phenyl] N-methylcarbamate ? | CNC(=O)OC1=CC(C)=C(OC(=O)NC)C(C)=C1 |
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What is the SMILES representation of the molecule with IUPAC name 1-(carbamoylamino)propan-2-ylurea ? | CC(CNC(N)=O)NC(N)=O |
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The IUPAC name of a certain molecule is 2-amino-3-[(2-amino-2-carboxyethyl)sulfanyl-(4-carbamoylphenyl)arsanyl]sulfanylpropanoic acid . Can you provide its SMILES representation? | NC(=O)C1=CC=C([As](SCC(N)C(=O)O)SCC(N)C(=O)O)C=C1 |
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What is the SMILES notation for 3-[5-(diethylamino)pentan-2-ylamino]propanenitrile ? | CCN(CC)CCCC(C)NCCC#N |
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The IUPAC name of a certain molecule is S-[2-(naphthalen-2-ylamino)-2-oxoethyl] carbamothioate . Can you provide its SMILES representation? | NC(=O)SCC(=O)NC1=CC=C2C=CC=CC2=C1 |
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What is the SMILES representation of the molecule with IUPAC name (3-aminopyrazin-2-yl) 4-acetamidobenzenesulfonate ? | CC(=O)NC1=CC=C(S(=O)(=O)OC2=NC=CN=C2N)C=C1 |
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Can you tell me the SMILES representation for the molecule 3,5-bis(2,2,2-trichloro-1-hydroxyethyl)-1,3,5-thiadiazinane-2-thione ? | OC(N1CSC(=S)N(C(O)C(Cl)(Cl)Cl)C1)C(Cl)(Cl)Cl |
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What is the SMILES representation of the molecule with IUPAC name 1-(diethylamino)but-3-en-2-ol ? | C=CC(O)CN(CC)CC |
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Please write the SMILES representation of the molecule N-(1,1-dinitroethyl)-1-nitroethanimine oxide . | CC([N+](=O)[O-])=[N+]([O-])C(C)([N+](=O)[O-])[N+](=O)[O-] |
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Please write the SMILES representation of the molecule 2-(5,5-dimethyl-2-undecyl-4H-imidazol-3-yl)ethanol . | CCCCCCCCCCCC1=NC(C)(C)CN1CCO |
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What is the SMILES representation for 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one ? | CC(C)=CCC1=C2OC(C)(C)CCC2=C2OC=C(C3=CC=C(O)C(O)=C3)C(=O)C2=C1O |
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Please identify the SMILES representation of the molecule named 1,3-benzodioxol-5-yl diethyl phosphate . | CCOP(=O)(OCC)OC1=CC=C2OCOC2=C1 |
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Please write the SMILES representation of the molecule 4-morpholin-4-yl-4-oxobut-2-enoic acid . | O=C(O)C=CC(=O)N1CCOCC1 |
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What is the SMILES representation for 2-(4,6-dimethyl-1H-indol-3-yl)acetic acid ? | CC1=CC(C)=C2C(CC(=O)O)=CNC2=C1 |
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Could you provide the SMILES for 2-(5-ethoxy-2-methyl-1H-indol-3-yl)acetic acid ? | CCOC1=CC=C2NC(C)=C(CC(=O)O)C2=C1 |
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What is the SMILES representation for 4-octan-2-ylsulfonyloxybutyl octane-2-sulfonate ? | CCCCCCC(C)S(=O)(=O)OCCCCOS(=O)(=O)C(C)CCCCCC |
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Can you give the SMILES notation of the molecule N-(2-chloro-6,7-diphenylpteridin-4-yl)-N',N'-dimethylpropane-1,3-diamine ? | CN(C)CCCNC1=NC(Cl)=NC2=NC(C3=CC=CC=C3)=C(C3=CC=CC=C3)N=C12 |
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Could you provide the SMILES for (1R,2S)-2-(6-chloropurin-9-yl)cyclohexan-1-ol ? | OC1CCCCC1N1C=NC2=C(Cl)N=CN=C21 |
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What is the SMILES representation for 3-(4-hydroxyphenyl)butanoic acid ? | CC(CC(=O)O)C1=CC=C(O)C=C1 |
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Could you provide the SMILES for 6-[(2-cyanoacetyl)hydrazinylidene]-2,3,4,5-tetrahydroxyhexanoic acid ? | N#CCC(=O)NN=CC(O)C(O)C(O)C(O)C(=O)O |
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Please identify the SMILES representation of the molecule named 2-[4-(diethoxyphosphorylmethyl)-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate . | CCOP(=O)(CC1=CC=C(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)C=C1)OCC |
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What is the SMILES representation of the molecule with IUPAC name methyl 4-(6-methoxynaphthalen-2-yl)-4-oxobutanoate ? | COC(=O)CCC(=O)C1=CC=C2C=C(OC)C=CC2=C1 |
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What is the SMILES notation for bis(1-phenylethyl) benzene-1,2-dicarboxylate ? | CC(OC(=O)C1=CC=CC=C1C(=O)OC(C)C1=CC=CC=C1)C1=CC=CC=C1 |
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What is the SMILES representation for N-(3-methyl-4-sulfamoylphenyl)benzamide ? | CC1=CC(NC(=O)C2=CC=CC=C2)=CC=C1S(N)(=O)=O |
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Please write the SMILES representation of the molecule (3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol . | CC1CCC(C(C)C2C(O)CC3C4CCC5CC(O)CCC5(C)C4CCC32C)NC1 |
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For the molecule with bis(2,5-dimethoxyphenyl)diazene as the IUPAC name, what is the corresponding SMILES representation? | COC1=CC=C(OC)C(N=NC2=CC(OC)=CC=C2OC)=C1 |
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For the molecule with 1-(butylsulfanylmethyl)-4-(2-methoxyphenyl)piperazine as the IUPAC name, what is the corresponding SMILES representation? | CCCCSCN1CCN(C2=CC=CC=C2OC)CC1 |
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Can you tell me the SMILES representation for the molecule 1-(butylsulfanylmethyl)-4-phenylpiperazine ? | CCCCSCN1CCN(C2=CC=CC=C2)CC1 |
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What is the SMILES representation for 5-[5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole ? | CC1C(C2=CC=C3OCOC3=C2)OC(C2=CC=C3OCOC3=C2)C1C |
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Could you provide the SMILES for 1-[(4-chlorophenyl)sulfanylmethyl]naphthalene ? | ClC1=CC=C(SCC2=CC=CC3=CC=CC=C23)C=C1 |
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What is the SMILES representation for 4-[[(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]oxy]-4-oxobutanoic acid;propan-2-amine ? | CC(C)N;COC1=CC(C2C3=CC4=C(C=C3C(OC(=O)CCC(=O)O)C3COC(=O)C23)OCO4)=CC(OC)=C1OC |
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What is the SMILES notation for ethyl N-(5-chloropentyl)carbamate ? | CCOC(=O)NCCCCCCl |
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What is the SMILES representation for 1-(3-hydroxy-10,13-dimethyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone ? | CC(=O)C1C(S)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C |
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Can you give the SMILES notation of the molecule 1-amino-6-iodoanthracene-9,10-dione ? | NC1=CC=CC2=C1C(=O)C1=CC=C(I)C=C1C2=O |
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Convert the IUPAC name of a molecule 2,3,4,5,6-pentahydroxyhexanoic acid;tetradecan-1-amine into SMILES representation. | CCCCCCCCCCCCCCN;O=C(O)C(O)C(O)C(O)C(O)CO |
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Could you provide the SMILES for 2-[2-hydroxyethyl-(9-methylpurin-6-yl)amino]ethanol ? | CN1C=NC2=C(N(CCO)CCO)N=CN=C21 |
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For the molecule with 2-[2-(4-methoxyphenyl)ethenyl]-2,4-dimethyl-1,3-dioxolane as the IUPAC name, what is the corresponding SMILES representation? | COC1=CC=C(C=CC2(C)OCC(C)O2)C=C1 |
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Could you provide the SMILES for 2-hexyl-4,5,5-trimethyl-1,3-dioxane ? | CCCCCCC1OCC(C)(C)C(C)O1 |
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Please write the SMILES representation of the molecule methyl 6-chloro-2-methylsulfanylpyrimidine-4-carboxylate . | COC(=O)C1=CC(Cl)=NC(SC)=N1 |
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What is the SMILES representation of the molecule with IUPAC name 1-N',2-N'-bis[(2-nitrophenyl)methylideneamino]ethanediimidamide ? | NC(=NN=CC1=CC=CC=C1[N+](=O)[O-])C(N)=NN=CC1=CC=CC=C1[N+](=O)[O-] |
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Please write the SMILES representation of the molecule (4-methoxyphenyl) 3-bromopropanoate . | COC1=CC=C(OC(=O)CCBr)C=C1 |
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The IUPAC name of a certain molecule is 2-[(1-methylindol-3-yl)methyl]benzoic acid . Can you provide its SMILES representation? | CN1C=C(CC2=CC=CC=C2C(=O)O)C2=CC=CC=C21 |
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What is the SMILES notation for 6-(2-phenylethylsulfanyl)-9-propylpurin-2-amine ? | CCCN1C=NC2=C(SCCC3=CC=CC=C3)N=C(N)N=C21 |
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What is the SMILES notation for 2,5-diphenyl-[1,3]thiazolo[5,4-d][1,3]thiazole ? | C1=CC=C(C2=NC3=C(N=C(C4=CC=CC=C4)S3)S2)C=C1 |
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Please identify the SMILES representation of the molecule named 2,4,6-tris[(benzylamino)methyl]benzene-1,3,5-triol . | OC1=C(CNCC2=CC=CC=C2)C(O)=C(CNCC2=CC=CC=C2)C(O)=C1CNCC1=CC=CC=C1 |
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Could you provide the SMILES for 2,3-dihydro-1H-imidazo[1,2-b]pyrazole ? | C1=NN2CCNC2=C1 |
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