id
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300k
molecules
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ground_truth
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400
{ "selfies": [], "smiles": [] }
CCP(CC)CC;CCP(CC)CC;Cl[Au]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the SMILES representation of the molecule chlorogold;triethylphosphane .", "role": "user" }, { "content": "CCP(CC)CC;CCP(CC)CC;Cl[Au]", "role": "assistant" } ]
401
{ "selfies": [], "smiles": [] }
CCCCCCCCCCCCCCCC1=C2C=C(N)C=CC2=C2C=CC(N)=CC2=[N+]1CC
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the SMILES representation of the molecule 5-ethyl-6-pentadecylphenanthridin-5-ium-3,8-diamine .", "role": "user" }, { "content": "CCCCCCCCCCCCCCCC1=C2C=C(N)C=CC2=C2C=CC(N)=CC2=[N+]1CC", "role": "assistant" } ]
402
{ "selfies": [], "smiles": [] }
CON=C(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the SMILES notation of the molecule (8S,9S,10R,13S,14S,17S)-17-(N-methoxy-C-methylcarbonimidoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one ?", "role": "user" }, { "content": "CON=C(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C", "role": "assistant" } ]
403
{ "selfies": [], "smiles": [] }
COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(=O)CO)CC3OC3CC(N(CC4=CC=CC=C4)CC4=CC=CC=C4)C(O)C(C)O3)C(O)=C1C2=O
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "7-[4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione is the IUPAC name of a molecule. Please give its SMILES representation.", "role": "user" }, { "content": "COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(=O)CO)CC3OC3CC(N(CC4=CC=CC=C4)CC4=CC=CC=C4)C(O)C(C)O3)C(O)=C1C2=O", "role": "assistant" } ]
404
{ "selfies": [], "smiles": [] }
O=C(O)C1=CC=CC=C1C1=C2C=C3CCC[N+]4=C3C(=C2OC2=C1C=C1CCCN3CCCC2=C13)CCC4
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid is the IUPAC name of a molecule. Please give its SMILES representation.", "role": "user" }, { "content": "O=C(O)C1=CC=CC=C1C1=C2C=C3CCC[N+]4=C3C(=C2OC2=C1C=C1CCCN3CCCC2=C13)CCC4", "role": "assistant" } ]
405
{ "selfies": [], "smiles": [] }
CCC(C)C(N)C(=O)NC1CC(OC2CC(O)(C(C)=O)CC3=C(O)C4=C(C(=O)C5=C(OC)C=CC=C5C4=O)C(O)=C32)OC(C)C1O;Cl
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Could you provide the SMILES for N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2-amino-3-methylpentanamide;hydrochloride ?", "role": "user" }, { "content": "CCC(C)C(N)C(=O)NC1CC(OC2CC(O)(C(C)=O)CC3=C(O)C4=C(C(=O)C5=C(OC)C=CC=C5C4=O)C(O)=C32)OC(C)C1O;Cl", "role": "assistant" } ]
406
{ "selfies": [], "smiles": [] }
O=[N+]([O-])C1=CC=C2C(=C1)N=C(C=NOCC1=CC=CC=C1[N+](=O)[O-])N2CC1=CC=CC=C1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the SMILES representation of the molecule 1-(1-benzyl-5-nitrobenzimidazol-2-yl)-N-[(2-nitrophenyl)methoxy]methanimine .", "role": "user" }, { "content": "O=[N+]([O-])C1=CC=C2C(=C1)N=C(C=NOCC1=CC=CC=C1[N+](=O)[O-])N2CC1=CC=CC=C1", "role": "assistant" } ]
407
{ "selfies": [], "smiles": [] }
CN(C)CCNS(=O)(=O)C1=CC=CC2=CC=CN=C12
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide The above is the IUPAC name of a molecule. Write its SMILES notation.", "role": "user" }, { "content": "CN(C)CCNS(=O)(=O)C1=CC=CC2=CC=CN=C12", "role": "assistant" } ]
408
{ "selfies": [], "smiles": [] }
FC1=CC=CC2=C1C=CC1=NC=CC=C12
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation of the molecule with IUPAC name 7-fluorobenzo[f]quinoline ?", "role": "user" }, { "content": "FC1=CC=CC2=C1C=CC1=NC=CC=C12", "role": "assistant" } ]
409
{ "selfies": [], "smiles": [] }
CC(C)CC1=C(O)C(=O)C=CO1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "The IUPAC name of a certain molecule is 3-hydroxy-2-(2-methylpropyl)pyran-4-one . Can you provide its SMILES representation?", "role": "user" }, { "content": "CC(C)CC1=C(O)C(=O)C=CO1", "role": "assistant" } ]
410
{ "selfies": [], "smiles": [] }
COC1=CC=C(OP(=O)(OC2=CC=C(OC)C=C2)C(C)(Cl)Cl)C=C1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the IUPAC name of a molecule 1-[1,1-dichloroethyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene into SMILES representation.", "role": "user" }, { "content": "COC1=CC=C(OP(=O)(OC2=CC=C(OC)C=C2)C(C)(Cl)Cl)C=C1", "role": "assistant" } ]
411
{ "selfies": [], "smiles": [] }
CCC(CC)(C(=O)NC(N)=O)C(=O)OCCN(C)C;Cl
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please identify the SMILES representation of the molecule named 2-(dimethylamino)ethyl 2-(carbamoylcarbamoyl)-2-ethylbutanoate;hydrochloride .", "role": "user" }, { "content": "CCC(CC)(C(=O)NC(N)=O)C(=O)OCCN(C)C;Cl", "role": "assistant" } ]
412
{ "selfies": [], "smiles": [] }
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(OC4CCC5(C)C6=CCC78C(=O)OC(C)(CCCC(C)C)C7CCC8(C)C6CCC5C4(C)C)C(OC4OC(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C(O)C4O)C3O)C2O)C1O
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation of the molecule with IUPAC name 16-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one ?", "role": "user" }, { "content": "COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(OC4CCC5(C)C6=CCC78C(=O)OC(C)(CCCC(C)C)C7CCC8(C)C6CCC5C4(C)C)C(OC4OC(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C(O)C4O)C3O)C2O)C1O", "role": "assistant" } ]
413
{ "selfies": [], "smiles": [] }
CSC1=NS(=O)(=O)N(C)C(Cl)=N1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "For the molecule with 3-chloro-2-methyl-5-methylsulfanyl-1,2,4,6-thiatriazine 1,1-dioxide as the IUPAC name, what is the corresponding SMILES representation?", "role": "user" }, { "content": "CSC1=NS(=O)(=O)N(C)C(Cl)=N1", "role": "assistant" } ]
414
{ "selfies": [], "smiles": [] }
CC[N+](CC)=C1C=CC2=NC3=C(C=C(SC4=CC=C(C)C=C4)C4=CC=CC=C43)OC2=C1;O=[N+]([O-])[O-]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please identify the SMILES representation of the molecule named diethyl-[5-(4-methylphenyl)sulfanylbenzo[a]phenoxazin-9-ylidene]azanium;nitrate .", "role": "user" }, { "content": "CC[N+](CC)=C1C=CC2=NC3=C(C=C(SC4=CC=C(C)C=C4)C4=CC=CC=C43)OC2=C1;O=[N+]([O-])[O-]", "role": "assistant" } ]
415
{ "selfies": [], "smiles": [] }
CCC1CCC2(CC(O)C(CO)CO2)OC1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "(3R,4S,6R,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol is the IUPAC name of a molecule. Please give its SMILES representation.", "role": "user" }, { "content": "CCC1CCC2(CC(O)C(CO)CO2)OC1", "role": "assistant" } ]
416
{ "selfies": [], "smiles": [] }
NC1=CC2=C(O)C(N=NC3=CC=C(N=NC4=CC=C(S(=O)(=O)[O-])C=C4)C4=CC=C(S(=O)(=O)[O-])C=C34)=C(S(=O)(=O)[O-])C=C2C=C1S(=O)(=O)[O-];[Li+];[Li+];[Li+];[Li+]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "tetralithium;6-amino-4-hydroxy-3-[[7-sulfonato-4-[(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2,7-disulfonate is the IUPAC name of a molecule. Please give its SMILES representation.", "role": "user" }, { "content": "NC1=CC2=C(O)C(N=NC3=CC=C(N=NC4=CC=C(S(=O)(=O)[O-])C=C4)C4=CC=C(S(=O)(=O)[O-])C=C34)=C(S(=O)(=O)[O-])C=C2C=C1S(=O)(=O)[O-];[Li+];[Li+];[Li+];[Li+]", "role": "assistant" } ]
417
{ "selfies": [], "smiles": [] }
[Ba+2];[O-2];[O-2];[O-2];[Ti+4]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the SMILES representation of the molecule barium(2+);oxygen(2-);titanium(4+) .", "role": "user" }, { "content": "[Ba+2];[O-2];[O-2];[O-2];[Ti+4]", "role": "assistant" } ]
418
{ "selfies": [], "smiles": [] }
COC1=CC2=C3C(O)=C1OCC1=CC=C(C=C1)CC1C4=C(C=C(OC)C(OC)=C4OC4=CC=C(C=C4)CC3N(C)CC2)CCN1C
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "9,10,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.027,31.016,35]heptatriaconta-3(37),4,6(36),8(35),9,11,18,20,24,26,31,33-dodecaen-32-ol The above is the IUPAC name of a molecule. Write its SMILES notation.", "role": "user" }, { "content": "COC1=CC2=C3C(O)=C1OCC1=CC=C(C=C1)CC1C4=C(C=C(OC)C(OC)=C4OC4=CC=C(C=C4)CC3N(C)CC2)CCN1C", "role": "assistant" } ]
419
{ "selfies": [], "smiles": [] }
CC1(C)SSC(C)(C)C(NC(=O)C(N)CC2=CC=C(O)C=C2)C(=O)NCC(=O)NC(CC2=CC=C(Cl)C=C2)C(=O)NC1C(=O)O
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation of the molecule with IUPAC name (4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid ?", "role": "user" }, { "content": "CC1(C)SSC(C)(C)C(NC(=O)C(N)CC2=CC=C(O)C=C2)C(=O)NCC(=O)NC(CC2=CC=C(Cl)C=C2)C(=O)NC1C(=O)O", "role": "assistant" } ]
420
{ "selfies": [], "smiles": [] }
O=C(O)C1=CC=C(C(=O)O)C=C1;OCCO;OCCOCCO;OCCOCCOCCO
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the SMILES notation of the molecule ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;terephthalic acid ?", "role": "user" }, { "content": "O=C(O)C1=CC=C(C(=O)O)C=C1;OCCO;OCCOCCO;OCCOCCOCCO", "role": "assistant" } ]
421
{ "selfies": [], "smiles": [] }
NCCCNCCCCN1CC1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "N'-[4-(aziridin-1-yl)butyl]propane-1,3-diamine The above is the IUPAC name of a molecule. Write its SMILES notation.", "role": "user" }, { "content": "NCCCNCCCCN1CC1", "role": "assistant" } ]
422
{ "selfies": [], "smiles": [] }
CCCCCCCC(=O)[O-];CCCCCCCC(=O)[O-];[Mn+2]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "The IUPAC name of a certain molecule is manganese(2+);octanoate . Can you provide its SMILES representation?", "role": "user" }, { "content": "CCCCCCCC(=O)[O-];CCCCCCCC(=O)[O-];[Mn+2]", "role": "assistant" } ]
423
{ "selfies": [], "smiles": [] }
NCCCCC(N)C(=O)O;O=C(O)CCCCC1CCSS1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you tell me the SMILES representation for the molecule (2S)-2,6-diaminohexanoic acid;5-(dithiolan-3-yl)pentanoic acid ?", "role": "user" }, { "content": "NCCCCC(N)C(=O)O;O=C(O)CCCCC1CCSS1", "role": "assistant" } ]
424
{ "selfies": [], "smiles": [] }
BrC(Br)=CC1=CC=CC=C1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Could you provide the SMILES for 2,2-dibromoethenylbenzene ?", "role": "user" }, { "content": "BrC(Br)=CC1=CC=CC=C1", "role": "assistant" } ]
425
{ "selfies": [], "smiles": [] }
COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)=O)CC3OC3CC(N)C(OC(CC(C)O)OC(C)C(=O)O)C(C)O3)C(O)=C1C2=O
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "2-[1-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-amino-2-methyloxan-3-yl]oxy-3-hydroxybutoxy]propanoic acid is the IUPAC name of a molecule. Please give its SMILES representation.", "role": "user" }, { "content": "COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)=O)CC3OC3CC(N)C(OC(CC(C)O)OC(C)C(=O)O)C(C)O3)C(O)=C1C2=O", "role": "assistant" } ]
426
{ "selfies": [], "smiles": [] }
CC1=CC=CC(C(=O)[O-])=C1;CC1=CC=CC(C(=O)[O-])=C1;[Cd+2]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the SMILES representation of the molecule cadmium(2+);3-methylbenzoate .", "role": "user" }, { "content": "CC1=CC=CC(C(=O)[O-])=C1;CC1=CC=CC(C(=O)[O-])=C1;[Cd+2]", "role": "assistant" } ]
427
{ "selfies": [], "smiles": [] }
CC1CC2=CC(=O)CCC2=C2C(C3=CC=C(N(C)C)C=C3)CC3(C)C(CCC34CCCO4)C21
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "The IUPAC name of a certain molecule is (7S,8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-7,13-dimethylspiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one . Can you provide its SMILES representation?", "role": "user" }, { "content": "CC1CC2=CC(=O)CCC2=C2C(C3=CC=C(N(C)C)C=C3)CC3(C)C(CCC34CCCO4)C21", "role": "assistant" } ]
428
{ "selfies": [], "smiles": [] }
O=C([O-])C1=CC=CC=C1;O=C([O-])C1=CC=CC=C1;[Mn+2]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the SMILES representation of the molecule manganese(2+);dibenzoate .", "role": "user" }, { "content": "O=C([O-])C1=CC=CC=C1;O=C([O-])C1=CC=CC=C1;[Mn+2]", "role": "assistant" } ]
429
{ "selfies": [], "smiles": [] }
CCCCCCCCCCCCCCCCCCCCCC(=O)[O-];[Ag+]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the IUPAC name of a molecule silver;docosanoate into SMILES representation.", "role": "user" }, { "content": "CCCCCCCCCCCCCCCCCCCCCC(=O)[O-];[Ag+]", "role": "assistant" } ]
430
{ "selfies": [], "smiles": [] }
C1=CN=CC(N=NC2=CC=CN=C2)=C1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation for dipyridin-3-yldiazene ?", "role": "user" }, { "content": "C1=CN=CC(N=NC2=CC=CN=C2)=C1", "role": "assistant" } ]
431
{ "selfies": [], "smiles": [] }
CCCC(C)NC(CS)C(=O)O
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the IUPAC name of a molecule (2R)-2-(pentan-2-ylamino)-3-sulfanylpropanoic acid into SMILES representation.", "role": "user" }, { "content": "CCCC(C)NC(CS)C(=O)O", "role": "assistant" } ]
432
{ "selfies": [], "smiles": [] }
CN(C)C1=CC=C(C(=C2C=CC(=[N+](C)C)C(S(=O)(=O)O)=C2)C2=CC=C(N(C)CC3=CC=CC(S(=O)(=O)O)=C3)C=C2)C=C1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation of the molecule with IUPAC name [4-[[4-(dimethylamino)phenyl]-[4-[methyl-[(3-sulfophenyl)methyl]amino]phenyl]methylidene]-2-sulfocyclohexa-2,5-dien-1-ylidene]-dimethylazanium ?", "role": "user" }, { "content": "CN(C)C1=CC=C(C(=C2C=CC(=[N+](C)C)C(S(=O)(=O)O)=C2)C2=CC=C(N(C)CC3=CC=CC(S(=O)(=O)O)=C3)C=C2)C=C1", "role": "assistant" } ]
433
{ "selfies": [], "smiles": [] }
O=[Si]([O-])[O-];[Fe+2]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you tell me the SMILES representation for the molecule dioxido(oxo)silane;iron(2+) ?", "role": "user" }, { "content": "O=[Si]([O-])[O-];[Fe+2]", "role": "assistant" } ]
434
{ "selfies": [], "smiles": [] }
[Nd+3];[Nd+3];[S-2];[S-2];[S-2]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "neodymium(3+);trisulfide The above is the IUPAC name of a molecule. Write its SMILES notation.", "role": "user" }, { "content": "[Nd+3];[Nd+3];[S-2];[S-2];[S-2]", "role": "assistant" } ]
435
{ "selfies": [], "smiles": [] }
C=CC(=O)NCC1=C(OC2=CC=C(NC3=CC=C(NC(C)C)C4=C3C(=O)C3=CC=CC=C3C4=O)C=C2)C=CC=C1S(=O)(=O)O
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the SMILES notation of the molecule 3-[4-[[9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]phenoxy]-2-[(prop-2-enoylamino)methyl]benzenesulfonic acid ?", "role": "user" }, { "content": "C=CC(=O)NCC1=C(OC2=CC=C(NC3=CC=C(NC(C)C)C4=C3C(=O)C3=CC=CC=C3C4=O)C=C2)C=CC=C1S(=O)(=O)O", "role": "assistant" } ]
436
{ "selfies": [], "smiles": [] }
CCCCCCCCCCOCCOCCOCCOCCOCCO
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES notation for 2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol ?", "role": "user" }, { "content": "CCCCCCCCCCOCCOCCOCCOCCOCCO", "role": "assistant" } ]
437
{ "selfies": [], "smiles": [] }
CC1(C=O)CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation for (1S,2R,4S,5R,8R,13R,14R,17S,18R,20S)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde ?", "role": "user" }, { "content": "CC1(C=O)CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1", "role": "assistant" } ]
438
{ "selfies": [], "smiles": [] }
CC(O)CO;O=C1C=CC(=O)O1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES notation for furan-2,5-dione;propane-1,2-diol ?", "role": "user" }, { "content": "CC(O)CO;O=C1C=CC(=O)O1", "role": "assistant" } ]
439
{ "selfies": [], "smiles": [] }
C=C(C)C(=O)OC;C=C(C)C(N)=O;C=CC(=O)OCCCC
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "butyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide The above is the IUPAC name of a molecule. Write its SMILES notation.", "role": "user" }, { "content": "C=C(C)C(=O)OC;C=C(C)C(N)=O;C=CC(=O)OCCCC", "role": "assistant" } ]
440
{ "selfies": [], "smiles": [] }
COCCNP(=O)(N(C)C)N(C)C
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation of the molecule with IUPAC name N-[bis(dimethylamino)phosphoryl]-2-methoxyethanamine ?", "role": "user" }, { "content": "COCCNP(=O)(N(C)C)N(C)C", "role": "assistant" } ]
441
{ "selfies": [], "smiles": [] }
[Pu]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "plutonium-234 is the IUPAC name of a molecule. Please give its SMILES representation.", "role": "user" }, { "content": "[Pu]", "role": "assistant" } ]
442
{ "selfies": [], "smiles": [] }
CC(C)(C1=CC=C(OC2=CC=C(C(=O)O)C(C(=O)O)=C2)C=C1)C1=CC=C(OC2=CC=C(C(=O)O)C(C(=O)O)=C2)C=C1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES notation for 4-[4-[2-[4-(3,4-dicarboxyphenoxy)phenyl]propan-2-yl]phenoxy]phthalic acid ?", "role": "user" }, { "content": "CC(C)(C1=CC=C(OC2=CC=C(C(=O)O)C(C(=O)O)=C2)C=C1)C1=CC=C(OC2=CC=C(C(=O)O)C(C(=O)O)=C2)C=C1", "role": "assistant" } ]
443
{ "selfies": [], "smiles": [] }
CCC(CO)(CO)CO;O=C(O)C1=CC=CC(C(=O)O)=C1;O=C(O)CCCCC(=O)O;OCCCCCCO
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "benzene-1,3-dicarboxylic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol The above is the IUPAC name of a molecule. Write its SMILES notation.", "role": "user" }, { "content": "CCC(CO)(CO)CO;O=C(O)C1=CC=CC(C(=O)O)=C1;O=C(O)CCCCC(=O)O;OCCCCCCO", "role": "assistant" } ]
444
{ "selfies": [], "smiles": [] }
C=O;CCCCCCCCCC1=CC=C(O)C=C1;NCCNCCN
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you tell me the SMILES representation for the molecule N'-(2-aminoethyl)ethane-1,2-diamine;formaldehyde;4-nonylphenol ?", "role": "user" }, { "content": "C=O;CCCCCCCCCC1=CC=C(O)C=C1;NCCNCCN", "role": "assistant" } ]
445
{ "selfies": [], "smiles": [] }
CNS(=O)(=O)C1=CC([O-])=C(N=NC2=C([O-])C=CC3=CC=CC=C23)C=C1Cl;CNS(=O)(=O)C1=CC([O-])=C(N=NC2=C([O-])C=CC3=CC=CC=C23)C=C1Cl;[Co];[Na+]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation for sodium;1-[[5-chloro-4-(methylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate;cobalt ?", "role": "user" }, { "content": "CNS(=O)(=O)C1=CC([O-])=C(N=NC2=C([O-])C=CC3=CC=CC=C23)C=C1Cl;CNS(=O)(=O)C1=CC([O-])=C(N=NC2=C([O-])C=CC3=CC=CC=C23)C=C1Cl;[Co];[Na+]", "role": "assistant" } ]
446
{ "selfies": [], "smiles": [] }
CCC(CO)(CO)CO;NC1CCCCC1;NCCCCCCN;O=C(O)C1=CC=CC(C(=O)O)=C1;O=C(O)CCCCC(=O)O
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "benzene-1,3-dicarboxylic acid;cyclohexanamine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexane-1,6-diamine;hexanedioic acid is the IUPAC name of a molecule. Please give its SMILES representation.", "role": "user" }, { "content": "CCC(CO)(CO)CO;NC1CCCCC1;NCCCCCCN;O=C(O)C1=CC=CC(C(=O)O)=C1;O=C(O)CCCCC(=O)O", "role": "assistant" } ]
447
{ "selfies": [], "smiles": [] }
COC1=CC2=C(C=C1OC)C(O)C1C3=C(C=C(OC)C(OC)=C23)CCN1C
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please identify the SMILES representation of the molecule named 1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-ol .", "role": "user" }, { "content": "COC1=CC2=C(C=C1OC)C(O)C1C3=C(C=C(OC)C(OC)=C23)CCN1C", "role": "assistant" } ]
448
{ "selfies": [], "smiles": [] }
[O-]C1=NC=C(CO)C([O-])=N1;[OH-];[Sb+3]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the SMILES notation of the molecule antimony(3+);5-(hydroxymethyl)pyrimidine-2,4-diolate;hydroxide ?", "role": "user" }, { "content": "[O-]C1=NC=C(CO)C([O-])=N1;[OH-];[Sb+3]", "role": "assistant" } ]
449
{ "selfies": [], "smiles": [] }
CC(C)CCCCC(=O)[O-];CC(C)CCCCC(=O)[O-];[Ca+2]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "The IUPAC name of a certain molecule is calcium;6-methylheptanoate . Can you provide its SMILES representation?", "role": "user" }, { "content": "CC(C)CCCCC(=O)[O-];CC(C)CCCCC(=O)[O-];[Ca+2]", "role": "assistant" } ]
450
{ "selfies": [], "smiles": [] }
O=C(NC1=CC(S(=O)(=O)[O-])=CC2=CC(S(=O)(=O)[O-])=C(N=NC3=CC(S(=O)(=O)[O-])=CC=C3S(=O)(=O)[O-])C(O)=C12)C1=CC=CC(NC2=NC(F)=NC(F)=C2Cl)=C1;[Na+];[Na+];[Na+];[Na+]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the IUPAC name of a molecule tetrasodium;5-[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl]amino]-3-[(2,5-disulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate into SMILES representation.", "role": "user" }, { "content": "O=C(NC1=CC(S(=O)(=O)[O-])=CC2=CC(S(=O)(=O)[O-])=C(N=NC3=CC(S(=O)(=O)[O-])=CC=C3S(=O)(=O)[O-])C(O)=C12)C1=CC=CC(NC2=NC(F)=NC(F)=C2Cl)=C1;[Na+];[Na+];[Na+];[Na+]", "role": "assistant" } ]
451
{ "selfies": [], "smiles": [] }
CC(C)(C)C12COC(C3=CC=C(F)C=C3)(OC1)OC2
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation of the molecule with IUPAC name 4-tert-butyl-1-(4-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane ?", "role": "user" }, { "content": "CC(C)(C)C12COC(C3=CC=C(F)C=C3)(OC1)OC2", "role": "assistant" } ]
452
{ "selfies": [], "smiles": [] }
CCCC12COC(C3CC4CCC3C4)(OC1)OC2
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "1-(2-bicyclo[2.2.1]heptanyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane The above is the IUPAC name of a molecule. Write its SMILES notation.", "role": "user" }, { "content": "CCCC12COC(C3CC4CCC3C4)(OC1)OC2", "role": "assistant" } ]
453
{ "selfies": [], "smiles": [] }
C1CO1;C=O;CCCCCCCCCC1=CC=C(O)C=C1;O=C(O)CC(C(=O)[O-])S(=O)(=O)O;O=C([O-])C1=CC=CC=C1;[Na+];[Na+]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the IUPAC name of a molecule disodium;formaldehyde;4-hydroxy-4-oxo-2-sulfobutanoate;4-nonylphenol;oxirane;benzoate into SMILES representation.", "role": "user" }, { "content": "C1CO1;C=O;CCCCCCCCCC1=CC=C(O)C=C1;O=C(O)CC(C(=O)[O-])S(=O)(=O)O;O=C([O-])C1=CC=CC=C1;[Na+];[Na+]", "role": "assistant" } ]
454
{ "selfies": [], "smiles": [] }
CC1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1S(=O)(=O)[O-];[Na+]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please identify the SMILES representation of the molecule named sodium;2-methyl-4,6-dinitrobenzenesulfonate .", "role": "user" }, { "content": "CC1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1S(=O)(=O)[O-];[Na+]", "role": "assistant" } ]
455
{ "selfies": [], "smiles": [] }
CCC=C[N+](=O)[O-]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation for 1-nitrobut-1-ene ?", "role": "user" }, { "content": "CCC=C[N+](=O)[O-]", "role": "assistant" } ]
456
{ "selfies": [], "smiles": [] }
CC(C)CC1C(=O)OC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)OC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)OC(C(C)C)C(=O)N1C
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the IUPAC name of a molecule 4,10,16-trimethyl-3,9,15-tris(2-methylpropyl)-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone into SMILES representation.", "role": "user" }, { "content": "CC(C)CC1C(=O)OC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)OC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)OC(C(C)C)C(=O)N1C", "role": "assistant" } ]
457
{ "selfies": [], "smiles": [] }
CC(C)C1=CC(=O)C2=CC=CC=C2C1=O
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "For the molecule with 2-propan-2-ylnaphthalene-1,4-dione as the IUPAC name, what is the corresponding SMILES representation?", "role": "user" }, { "content": "CC(C)C1=CC(=O)C2=CC=CC=C2C1=O", "role": "assistant" } ]
458
{ "selfies": [], "smiles": [] }
CC1=C(CCC2C(C)CCC3OC(C)(C)C(=O)CCC32C)C2(C)CCC(O)C(C)(C)C2CC1=O
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "For the molecule with (5aS,6R,7R,9aS)-6-[2-[(4aR,6R,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-2,2,5a,7-tetramethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[b]oxepin-3-one as the IUPAC name, what is the corresponding SMILES representation?", "role": "user" }, { "content": "CC1=C(CCC2C(C)CCC3OC(C)(C)C(=O)CCC32C)C2(C)CCC(O)C(C)(C)C2CC1=O", "role": "assistant" } ]
459
{ "selfies": [], "smiles": [] }
CCCCCCCCCCCCCCCC(=O)OC(CNC(C)(C)C)COC1=NSN=C1N1CCOCC1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you tell me the SMILES representation for the molecule [(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] hexadecanoate ?", "role": "user" }, { "content": "CCCCCCCCCCCCCCCC(=O)OC(CNC(C)(C)C)COC1=NSN=C1N1CCOCC1", "role": "assistant" } ]
460
{ "selfies": [], "smiles": [] }
CC1=CN=C2C(=N1)C(C)=CC1=C2N=C(NCC2=CC=CC=C2)N1C
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please identify the SMILES representation of the molecule named N-benzyl-3,5,7-trimethylimidazo[4,5-f]quinoxalin-2-amine .", "role": "user" }, { "content": "CC1=CN=C2C(=N1)C(C)=CC1=C2N=C(NCC2=CC=CC=C2)N1C", "role": "assistant" } ]
461
{ "selfies": [], "smiles": [] }
COP(=S)(N1CCOCC1)N1CCOCC1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES notation for methoxy-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane ?", "role": "user" }, { "content": "COP(=S)(N1CCOCC1)N1CCOCC1", "role": "assistant" } ]
462
{ "selfies": [], "smiles": [] }
O=C1C2CCCCC2NN1C1=CC(O)=C(Cl)C=C1Cl
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please identify the SMILES representation of the molecule named 2-(2,4-dichloro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one .", "role": "user" }, { "content": "O=C1C2CCCCC2NN1C1=CC(O)=C(Cl)C=C1Cl", "role": "assistant" } ]
463
{ "selfies": [], "smiles": [] }
CCNC1=NC(Cl)=NC(NCCCC(=O)O)=N1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]butanoic acid The above is the IUPAC name of a molecule. Write its SMILES notation.", "role": "user" }, { "content": "CCNC1=NC(Cl)=NC(NCCCC(=O)O)=N1", "role": "assistant" } ]
464
{ "selfies": [], "smiles": [] }
C=CCC1=CC=C(OS(=O)(=O)O)C(OC)=C1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the IUPAC name of a molecule (2-methoxy-4-prop-2-enylphenyl) hydrogen sulfate into SMILES representation.", "role": "user" }, { "content": "C=CCC1=CC=C(OS(=O)(=O)O)C(OC)=C1", "role": "assistant" } ]
465
{ "selfies": [], "smiles": [] }
FC(F)(F)C1=CC=CC(C(F)(F)F)=C1C(F)(F)F
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the SMILES notation of the molecule 1,2,3-tris(trifluoromethyl)benzene ?", "role": "user" }, { "content": "FC(F)(F)C1=CC=CC(C(F)(F)F)=C1C(F)(F)F", "role": "assistant" } ]
466
{ "selfies": [], "smiles": [] }
CCOC(=O)C1(C2=CC=CC=C2)CCN(C=O)CC1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "For the molecule with ethyl 1-formyl-4-phenylpiperidine-4-carboxylate as the IUPAC name, what is the corresponding SMILES representation?", "role": "user" }, { "content": "CCOC(=O)C1(C2=CC=CC=C2)CCN(C=O)CC1", "role": "assistant" } ]
467
{ "selfies": [], "smiles": [] }
CCOC(=O)C(C)OC1=CC=C(OC2=NC3=CC=C(Cl)C=C3O2)C=C1;O=C(O)C1=NN(C2=CC=C(Cl)C=C2Cl)C(C(Cl)(Cl)Cl)=N1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the SMILES representation of the molecule 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid;ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate .", "role": "user" }, { "content": "CCOC(=O)C(C)OC1=CC=C(OC2=NC3=CC=C(Cl)C=C3O2)C=C1;O=C(O)C1=NN(C2=CC=C(Cl)C=C2Cl)C(C(Cl)(Cl)Cl)=N1", "role": "assistant" } ]
468
{ "selfies": [], "smiles": [] }
CCN(CC)C(=O)C1=CC=C(NC2=CC=NC3=CC4=CC=CC=C4C=C23)C=C1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "For the molecule with 4-(benzo[g]quinolin-4-ylamino)-N,N-diethylbenzamide as the IUPAC name, what is the corresponding SMILES representation?", "role": "user" }, { "content": "CCN(CC)C(=O)C1=CC=C(NC2=CC=NC3=CC4=CC=CC=C4C=C23)C=C1", "role": "assistant" } ]
469
{ "selfies": [], "smiles": [] }
CCCCCCCC(C)SCC(=O)C(F)(F)F
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation of the molecule with IUPAC name 1,1,1-trifluoro-3-nonan-2-ylsulfanylpropan-2-one ?", "role": "user" }, { "content": "CCCCCCCC(C)SCC(=O)C(F)(F)F", "role": "assistant" } ]
470
{ "selfies": [], "smiles": [] }
COC1=CC(C(C)(C)CCl)=C(Cl)N=N1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "For the molecule with 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-6-methoxypyridazine as the IUPAC name, what is the corresponding SMILES representation?", "role": "user" }, { "content": "COC1=CC(C(C)(C)CCl)=C(Cl)N=N1", "role": "assistant" } ]
471
{ "selfies": [], "smiles": [] }
COC1=CC2=C(C=CC(C)(C)O2)C=C1C(C)O
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Could you provide the SMILES for 1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanol ?", "role": "user" }, { "content": "COC1=CC2=C(C=CC(C)(C)O2)C=C1C(C)O", "role": "assistant" } ]
472
{ "selfies": [], "smiles": [] }
CCOC1=CC=C(C2(COCC3=CC=C(F)C(OC4=CC=CC=C4)=C3)CC2)C=C1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "4-[[1-(4-ethoxyphenyl)cyclopropyl]methoxymethyl]-1-fluoro-2-phenoxybenzene is the IUPAC name of a molecule. Please give its SMILES representation.", "role": "user" }, { "content": "CCOC1=CC=C(C2(COCC3=CC=C(F)C(OC4=CC=CC=C4)=C3)CC2)C=C1", "role": "assistant" } ]
473
{ "selfies": [], "smiles": [] }
C=C1C(=O)OC2CC(C)C3C=CC(=O)C3(C)C(OC(=O)C(C)CC)C12
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation for [(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 2-methylbutanoate ?", "role": "user" }, { "content": "C=C1C(=O)OC2CC(C)C3C=CC(=O)C3(C)C(OC(=O)C(C)CC)C12", "role": "assistant" } ]
474
{ "selfies": [], "smiles": [] }
BrC1=CC=C(C2=CC=CC=C2)C(Br)=C1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you tell me the SMILES representation for the molecule 2,4-dibromo-1-phenylbenzene ?", "role": "user" }, { "content": "BrC1=CC=C(C2=CC=CC=C2)C(Br)=C1", "role": "assistant" } ]
475
{ "selfies": [], "smiles": [] }
CC(S)C(=O)O;CC(S)C(=O)O;CCCCCCCC[Sn]CCCCCCCC
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the IUPAC name of a molecule dioctyltin;2-sulfanylpropanoic acid into SMILES representation.", "role": "user" }, { "content": "CC(S)C(=O)O;CC(S)C(=O)O;CCCCCCCC[Sn]CCCCCCCC", "role": "assistant" } ]
476
{ "selfies": [], "smiles": [] }
FC1=CC=C2OC3=C(Cl)C=C(F)C=C3SC2=C1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "4-chloro-2,8-difluorophenoxathiine is the IUPAC name of a molecule. Please give its SMILES representation.", "role": "user" }, { "content": "FC1=CC=C2OC3=C(Cl)C=C(F)C=C3SC2=C1", "role": "assistant" } ]
477
{ "selfies": [], "smiles": [] }
CCCCCCCCCCCCCC(=O)OC1=CC=CC2=C1C(=O)C1=C(C=CC=C1OC(=O)CCCCCCCCCCCCC)C2
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "(9-oxo-8-tetradecanoyloxy-10H-anthracen-1-yl) tetradecanoate The above is the IUPAC name of a molecule. Write its SMILES notation.", "role": "user" }, { "content": "CCCCCCCCCCCCCC(=O)OC1=CC=CC2=C1C(=O)C1=C(C=CC=C1OC(=O)CCCCCCCCCCCCC)C2", "role": "assistant" } ]
478
{ "selfies": [], "smiles": [] }
C1=CC=C2C(=C1)C1=CC3=CC=CC=C3C=C1C1OC21
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "The IUPAC name of a certain molecule is (4R)-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene . Can you provide its SMILES representation?", "role": "user" }, { "content": "C1=CC=C2C(=C1)C1=CC3=CC=CC=C3C=C1C1OC21", "role": "assistant" } ]
479
{ "selfies": [], "smiles": [] }
CCCCCCNC(=O)OC1=CC=CC2=CC=CC=C12
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation of the molecule with IUPAC name naphthalen-1-yl N-hexylcarbamate ?", "role": "user" }, { "content": "CCCCCCNC(=O)OC1=CC=CC2=CC=CC=C12", "role": "assistant" } ]
480
{ "selfies": [], "smiles": [] }
CCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)OCC
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the SMILES representation of the molecule ethyl (2S)-5-(diaminomethylideneamino)-2-(dodecanoylamino)pentanoate .", "role": "user" }, { "content": "CCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)OCC", "role": "assistant" } ]
481
{ "selfies": [], "smiles": [] }
OCC1OC(OC2OC=CC3CC4OC4(CO)C32)C(O)C(O)C1O
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Could you provide the SMILES for 2-(hydroxymethyl)-6-[[2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxane-3,4,5-triol ?", "role": "user" }, { "content": "OCC1OC(OC2OC=CC3CC4OC4(CO)C32)C(O)C(O)C1O", "role": "assistant" } ]
482
{ "selfies": [], "smiles": [] }
CC(C)(C)C1=CC=C(C(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please identify the SMILES representation of the molecule named (4-tert-butylphenyl)-(3-nitrophenyl)methanone .", "role": "user" }, { "content": "CC(C)(C)C1=CC=C(C(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1", "role": "assistant" } ]
483
{ "selfies": [], "smiles": [] }
O=[N+]([O-])C1=CC=C2N=C3C=CC=CC3=CC2=C1[N+](=O)[O-]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the SMILES notation of the molecule 1,2-dinitroacridine ?", "role": "user" }, { "content": "O=[N+]([O-])C1=CC=C2N=C3C=CC=CC3=CC2=C1[N+](=O)[O-]", "role": "assistant" } ]
484
{ "selfies": [], "smiles": [] }
CCC1=CC=C(C)C2=C1NC1=CC=CC=C12
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the SMILES representation of the molecule 1-ethyl-4-methyl-9H-carbazole .", "role": "user" }, { "content": "CCC1=CC=C(C)C2=C1NC1=CC=CC=C12", "role": "assistant" } ]
485
{ "selfies": [], "smiles": [] }
CCCSP(=O)(O)OC1=CC=C(Br)C=C1Cl
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please identify the SMILES representation of the molecule named (4-bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid .", "role": "user" }, { "content": "CCCSP(=O)(O)OC1=CC=C(Br)C=C1Cl", "role": "assistant" } ]
486
{ "selfies": [], "smiles": [] }
CS(=O)(=O)CCCCNCCCCS(C)(=O)=O
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Could you provide the SMILES for 4-methylsulfonyl-N-(4-methylsulfonylbutyl)butan-1-amine ?", "role": "user" }, { "content": "CS(=O)(=O)CCCCNCCCCS(C)(=O)=O", "role": "assistant" } ]
487
{ "selfies": [], "smiles": [] }
O=C(NC1=CC=C(Cl)C=C1)OCCOC1=CC=C(CO)C=C1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "For the molecule with 2-[4-(hydroxymethyl)phenoxy]ethyl N-(4-chlorophenyl)carbamate as the IUPAC name, what is the corresponding SMILES representation?", "role": "user" }, { "content": "O=C(NC1=CC=C(Cl)C=C1)OCCOC1=CC=C(CO)C=C1", "role": "assistant" } ]
488
{ "selfies": [], "smiles": [] }
CC12CCC3C4=CC(N=NC5=CC=C(C(=O)O)C=C5)=C(O)C=C4CCC3C1CC(O)C2O
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you tell me the SMILES representation for the molecule 4-[[(13S,16R,17R)-3,16,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]diazenyl]benzoic acid ?", "role": "user" }, { "content": "CC12CCC3C4=CC(N=NC5=CC=C(C(=O)O)C=C5)=C(O)C=C4CCC3C1CC(O)C2O", "role": "assistant" } ]
489
{ "selfies": [], "smiles": [] }
CC1NC(C2CC2)CC1C1=CC=C(Cl)C=C1;CC1NC(C2CC2)CC1C1=CC=C(Cl)C=C1;O=C(O)CCC(=O)O
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation for butanedioic acid;3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidine ?", "role": "user" }, { "content": "CC1NC(C2CC2)CC1C1=CC=C(Cl)C=C1;CC1NC(C2CC2)CC1C1=CC=C(Cl)C=C1;O=C(O)CCC(=O)O", "role": "assistant" } ]
490
{ "selfies": [], "smiles": [] }
OCC(O)C(O)C(O)C=NO
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation for (2R,3S,4R)-5-hydroxyiminopentane-1,2,3,4-tetrol ?", "role": "user" }, { "content": "OCC(O)C(O)C(O)C=NO", "role": "assistant" } ]
491
{ "selfies": [], "smiles": [] }
CNC1=NC2C(O)C(OC3OC(CO)C(OC4OC(COC)C(O)C(O)C4NC(C)=O)C(O)C3NC(C)=O)C(CO)C2O1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation for N-[2-[5-acetamido-4-hydroxy-6-[[4-hydroxy-6-(hydroxymethyl)-2-(methylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl]oxy]-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(methoxymethyl)oxan-3-yl]acetamide ?", "role": "user" }, { "content": "CNC1=NC2C(O)C(OC3OC(CO)C(OC4OC(COC)C(O)C(O)C4NC(C)=O)C(O)C3NC(C)=O)C(CO)C2O1", "role": "assistant" } ]
492
{ "selfies": [], "smiles": [] }
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "For the molecule with (2S,3S,4R,5R,6S)-6-[[(6aR,6bS,8aS,12aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid as the IUPAC name, what is the corresponding SMILES representation?", "role": "user" }, { "content": "CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1", "role": "assistant" } ]
493
{ "selfies": [], "smiles": [] }
C#CC1(O)CCC2C3CCC4CC(=O)CCC4(C)C3CCC21C
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation of the molecule with IUPAC name (5S,8R,9S,10S,13S,14S)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one ?", "role": "user" }, { "content": "C#CC1(O)CCC2C3CCC4CC(=O)CCC4(C)C3CCC21C", "role": "assistant" } ]
494
{ "selfies": [], "smiles": [] }
C1=CC=CC=C1;C1=CC=CC=C1;[Cr];[I-]
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation for benzene;chromium;iodide ?", "role": "user" }, { "content": "C1=CC=CC=C1;C1=CC=CC=C1;[Cr];[I-]", "role": "assistant" } ]
495
{ "selfies": [], "smiles": [] }
COC12CCC3(CC1C(C)(C)O)C1CC4=CC=C(O)C5=C4C3(CCN1CC1CC1)C2O5
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "The IUPAC name of a certain molecule is (2S,6R,14R,16R)-5-(cyclopropylmethyl)-16-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol . Can you provide its SMILES representation?", "role": "user" }, { "content": "COC12CCC3(CC1C(C)(C)O)C1CC4=CC=C(O)C5=C4C3(CCN1CC1CC1)C2O5", "role": "assistant" } ]
496
{ "selfies": [], "smiles": [] }
CCCCCCCCN(N=O)C(N)=O
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Could you provide the SMILES for 1-nitroso-1-octylurea ?", "role": "user" }, { "content": "CCCCCCCCN(N=O)C(N)=O", "role": "assistant" } ]
497
{ "selfies": [], "smiles": [] }
C1CCC(NC2CCCCC2)CC1;O=C(O)C1=CC=CC([N+](=O)[O-])=C1
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "N-cyclohexylcyclohexanamine;3-nitrobenzoic acid The above is the IUPAC name of a molecule. Write its SMILES notation.", "role": "user" }, { "content": "C1CCC(NC2CCCCC2)CC1;O=C(O)C1=CC=CC([N+](=O)[O-])=C1", "role": "assistant" } ]
498
{ "selfies": [], "smiles": [] }
CC(C)CC(N)C(=O)NCC(O)CC(N)CC(=O)NN(C)CC(=O)O
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Could you provide the SMILES for 2-[[[(3R,5R)-3-amino-6-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-hydroxyhexanoyl]amino]-methylamino]acetic acid ?", "role": "user" }, { "content": "CC(C)CC(N)C(=O)NCC(O)CC(N)CC(=O)NN(C)CC(=O)O", "role": "assistant" } ]
499
{ "selfies": [], "smiles": [] }
CN(N)CC1=CC=CC=C1;O=P(O)(O)O
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the SMILES representation of the molecule with IUPAC name 1-benzyl-1-methylhydrazine;phosphoric acid ?", "role": "user" }, { "content": "CN(N)CC1=CC=CC=C1;O=P(O)(O)O", "role": "assistant" } ]