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[{"from": "human", "value": "Write a possible SMILES of given compound. -> Cyclooctane\n"}, {"from": "gpt", "value": " C1CCCCCCC1\n"}] |
[{"from": "human", "value": "Given compound, write its aqueous solubility expressed as a logarithm in mol/L in room temperature. -> Butyraldehyde\n"}, {"from": "gpt", "value": " -0.01\n"}] |
[{"from": "human", "value": "Write aqueous solubility expressed as a logarithm in mol/L of given SELFIES in room temperature. -> [C][C][C][C][C][C][C][C][C]\n"}, {"from": "gpt", "value": " -5.88\n"}] |
[{"from": "human", "value": "What is compound of given SELFIES? -> [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]\n"}, {"from": "gpt", "value": " Hexadecane\n"}] |
[{"from": "human", "value": "Write compound of given InChI. -> InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3\n"}, {"from": "gpt", "value": " Formothion\n"}] |
[{"from": "human", "value": "Given compound, write its InChI. -> Pyrolan\n"}, {"from": "gpt", "value": " InChI=1S/C13H15N3O2/c1-10-9-12(18-13(17)15(2)3)16(14-10)11-7-5-4-6-8-11/h4-9H,1-3H3\n"}] |
[{"from": "human", "value": "What will be SELFIES of given compound? -> DDT\n"}, {"from": "gpt", "value": " [Cl][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl]\n"}] |
[{"from": "human", "value": "What is aqueous solubility expressed as a logarithm in mol/L of given InChI in room temperature? -> InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2\n"}, {"from": "gpt", "value": " 0.39\n"}] |
[{"from": "human", "value": "Given InChI, write its compound. -> InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H\n"}, {"from": "gpt", "value": " Pentachlorophenol\n"}] |
[{"from": "human", "value": "Given SMILES, write its compound. -> CC=CC=O\n"}, {"from": "gpt", "value": " 2-butenal\n"}] |
[{"from": "human", "value": "What is InChI of given compound? -> Trichloroacetonitrile\n"}, {"from": "gpt", "value": " InChI=1S/C2Cl3N/c3-2(4,5)1-6\n"}] |
[{"from": "human", "value": "What is compound of given SELFIES? -> [Cl][C][=Branch1][C][=C][Cl]\n"}, {"from": "gpt", "value": " 1,1-Dichloroethylene\n"}] |
[{"from": "human", "value": "What is InChI of given compound? -> 5,5-Diallylbarbital\n"}, {"from": "gpt", "value": " InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)\n"}] |
[{"from": "human", "value": "Write a possible SELFIES of given compound. -> D-fenchone\n"}, {"from": "gpt", "value": " [C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][=O]\n"}] |
[{"from": "human", "value": "Given InChI, write its compound. -> InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3\n"}, {"from": "gpt", "value": " 1-Heptyne\n"}] |
[{"from": "human", "value": "Given SMILES, write its water solubility expressed as a logarithm in mol/L in room temperature. -> CCCCCCCC(C)O\n"}, {"from": "gpt", "value": " -2.74\n"}] |
[{"from": "human", "value": "Write aqueous solubility expressed as a logarithm in mol/L of given SMILES in room temperature. -> Cc1ccccc1O\n"}, {"from": "gpt", "value": " -0.62\n"}] |
[{"from": "human", "value": "Write aqueous solubility expressed as a logarithm in mol/L of given SELFIES in 25 \u00b0C. -> [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C]\n"}, {"from": "gpt", "value": " -3.28\n"}] |
[{"from": "human", "value": "What is aqueous solubility of given SMILES in room temperature? -> c1ccc2c(c1)ccc3c2ccc4c5ccccc5ccc43\n"}, {"from": "gpt", "value": " 1.3489628825916533e-08 mol/L\n"}] |
[{"from": "human", "value": "Write compound of given InChI. -> InChI=1S/C6H4BrCl/c7-5-1-3-6(8)4-2-5/h1-4H\n"}, {"from": "gpt", "value": " p-Chlorobromobenzene\n"}] |
[{"from": "human", "value": "Given SMILES, write its water solubility in room temperature. -> Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)N(=O)=O\n"}, {"from": "gpt", "value": " 1.9952623149688786e-05 mol/L\n"}] |
[{"from": "human", "value": "Write a possible SMILES of given compound. -> glucose\n"}, {"from": "gpt", "value": " OCC1OC(O)C(O)C(O)C1O\n"}] |
[{"from": "human", "value": "Write compound of given InChI. -> InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3\n"}, {"from": "gpt", "value": " Eicosane\n"}] |
[{"from": "human", "value": "Write aqueous solubility of given compound in room temperature. -> Flurochloridone\n"}, {"from": "gpt", "value": " 8.974287945007491e-05 mol/L\n"}] |
[{"from": "human", "value": "Write water solubility expressed as a logarithm in mol/L of given InChI in room temperature. -> InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3\n"}, {"from": "gpt", "value": " -3.65\n"}] |
[{"from": "human", "value": "Given InChI, write its compound. -> InChI=1S/C8H10N2O3/c1-3-4-8(2)5(11)9-7(13)10-6(8)12/h3H,1,4H2,2H3,(H2,9,10,11,12,13)\n"}, {"from": "gpt", "value": " 5-Allyl-5-methylbarbital\n"}] |
[{"from": "human", "value": "What will be SELFIES of given compound? -> 1,2,4,5-Tetramethylbenzene\n"}, {"from": "gpt", "value": " [C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C]\n"}] |
[{"from": "human", "value": "Write compound of given InChI. -> InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2\n"}, {"from": "gpt", "value": " 2-Phenoxyethanol\n"}] |
[{"from": "human", "value": "Given InChI, write its aqueous solubility in 25 \u00b0C. -> InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)\n"}, {"from": "gpt", "value": " 10.471285480508996 mol/L\n"}] |
[{"from": "human", "value": "Write water solubility expressed as a logarithm in mol/L of given SELFIES in 25 \u00b0C. -> [C][C][C][C][C][C][C][C][C][C][O]\n"}, {"from": "gpt", "value": " -3.63\n"}] |
[{"from": "human", "value": "Write water solubility expressed as a logarithm in mol/L of given SELFIES in room temperature. -> [C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Ring1][=N]\n"}, {"from": "gpt", "value": " -2.15\n"}] |
[{"from": "human", "value": "Write water solubility expressed as a logarithm in mol/L of given compound in 25 \u00b0C. -> 4-Methyl-2-pentanone\n"}, {"from": "gpt", "value": " -0.74\n"}] |
[{"from": "human", "value": "Write compound of given SELFIES. -> [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N]\n"}, {"from": "gpt", "value": " p-Toluenesulfonamide \n"}] |
[{"from": "human", "value": "Given compound, write its water solubility in room temperature. -> Acetophenone\n"}, {"from": "gpt", "value": " 0.05248074602497726 mol/L\n"}] |
[{"from": "human", "value": "What is water solubility of given SELFIES in 25 \u00b0C? -> [C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]\n"}, {"from": "gpt", "value": " 7.585775750291836e-05 mol/L\n"}] |
[{"from": "human", "value": "Given SELFIES, write its water solubility in room temperature. -> [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][O][Ring1][P]\n"}, {"from": "gpt", "value": " 0.0052360043658575 mol/L\n"}] |
[{"from": "human", "value": "Write compound of given InChI. -> InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2\n"}, {"from": "gpt", "value": " Tetrahydrofurane \n"}] |
[{"from": "human", "value": "What will be SELFIES of given compound? -> Carvone\n"}, {"from": "gpt", "value": " [C][C][=Branch1][C][=C][C][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][Branch2]\n"}] |
[{"from": "human", "value": "What is aqueous solubility of given SMILES in 25 \u00b0C? -> CCCCCCC=C\n"}, {"from": "gpt", "value": " 3.63078054770101e-05 mol/L\n"}] |
[{"from": "human", "value": "Given SELFIES, write its compound. -> [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C]\n"}, {"from": "gpt", "value": " 2,3-Dimethylnaphthalene\n"}] |
[{"from": "human", "value": "Given SELFIES, write its compound. -> [O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1]\n"}, {"from": "gpt", "value": " Dibenzofurane\n"}] |
[{"from": "human", "value": "Write aqueous solubility of given SELFIES in room temperature. -> [O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]\n"}, {"from": "gpt", "value": " 4.168693834703355e-05 mol/L\n"}] |
[{"from": "human", "value": "Given compound, write its potential SELFIES. -> Simetryn\n"}, {"from": "gpt", "value": " [C][S][C][=N][C][=Branch1][=N][=N][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]\n"}] |
[{"from": "human", "value": "Given SELFIES, write its compound. -> [C][C][S][S][C][C]\n"}, {"from": "gpt", "value": " Diethyldisulfide\n"}] |
[{"from": "human", "value": "Write a possible SELFIES of given compound. -> 1,4-Dinitrobenzene\n"}, {"from": "gpt", "value": " [O][=N][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][=Branch1][C][=O][=O]\n"}] |
[{"from": "human", "value": "What is aqueous solubility expressed as a logarithm in mol/L of given SMILES in room temperature? -> ClCCl\n"}, {"from": "gpt", "value": " -0.63\n"}] |
[{"from": "human", "value": "What is aqueous solubility of given InChI in 25 \u00b0C? -> InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H\n"}, {"from": "gpt", "value": " 0.0001174897554939529 mol/L\n"}] |
[{"from": "human", "value": "Write a possible SELFIES of given compound. -> p-t-Butylphenol\n"}, {"from": "gpt", "value": " [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]\n"}] |
[{"from": "human", "value": "Given compound, write its potential SELFIES. -> Niclosamide\n"}, {"from": "gpt", "value": " [O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][N][=Branch1][C][=O][=O]\n"}] |
[{"from": "human", "value": "Write compound of given SMILES. -> c1ccc2cc3cc4ccccc4cc3cc2c1\n"}, {"from": "gpt", "value": " Napthacene\n"}] |
[{"from": "human", "value": "Write compound of given SMILES. -> CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2\n"}, {"from": "gpt", "value": " Deltamethrin\n"}] |
[{"from": "human", "value": "Write water solubility of given SMILES in 25 \u00b0C. -> Cc1cccc(C)c1C\n"}, {"from": "gpt", "value": " 0.000630957344480193 mol/L\n"}] |
[{"from": "human", "value": "What is compound of given InChI? -> InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3\n"}, {"from": "gpt", "value": " Ethanethiol\n"}] |
[{"from": "human", "value": "Write water solubility of given compound in 25 \u00b0C. -> Dinitramine\n"}, {"from": "gpt", "value": " 3.3884415613920275e-06 mol/L\n"}] |
[{"from": "human", "value": "Write compound of given SMILES. -> NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23\n"}, {"from": "gpt", "value": " Chlorthalidone\n"}] |
[{"from": "human", "value": "Write water solubility expressed as a logarithm in mol/L of given SELFIES in room temperature. -> [O][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]\n"}, {"from": "gpt", "value": " -2.85\n"}] |
[{"from": "human", "value": "Given SELFIES, write its compound. -> [C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][Branch1][C][C][C][Branch1][C][O][C][Ring1][Branch2]\n"}, {"from": "gpt", "value": " borneol\n"}] |
[{"from": "human", "value": "What will be SELFIES of given compound? -> 2-Pentanone\n"}, {"from": "gpt", "value": " [C][C][C][C][=Branch1][C][=O][C]\n"}] |
[{"from": "human", "value": "Write aqueous solubility of given SMILES in 25 \u00b0C. -> C/C1CCC(\\C)CC1\n"}, {"from": "gpt", "value": " 3.3884415613920276e-05 mol/L\n"}] |
[{"from": "human", "value": "What will be SELFIES of given compound? -> 1-Methylphenanthrene\n"}, {"from": "gpt", "value": " [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]\n"}] |
[{"from": "human", "value": "What will be SMILES of given compound? -> Vinclozolin\n"}, {"from": "gpt", "value": " CC1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C=C\n"}] |
[{"from": "human", "value": "What is water solubility of given InChI in 25 \u00b0C? -> InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H\n"}, {"from": "gpt", "value": " 0.004168693834703355 mol/L\n"}] |
[{"from": "human", "value": "Given InChI, write its water solubility in 25 \u00b0C. -> InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3\n"}, {"from": "gpt", "value": " 0.08317637711026708 mol/L\n"}] |
[{"from": "human", "value": "Given SMILES, write its aqueous solubility expressed as a logarithm in mol/L in room temperature. -> COc1ccc(C=O)cc1\n"}, {"from": "gpt", "value": " -1.49\n"}] |
[{"from": "human", "value": "Given compound, write its InChI. -> Isobutylbenzene\n"}, {"from": "gpt", "value": " InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3\n"}] |
[{"from": "human", "value": "Given SMILES, write its aqueous solubility in room temperature. -> CNC(=O)Oc1ccc(N(C)C)c(C)c1\n"}, {"from": "gpt", "value": " 0.004365158322401661 mol/L\n"}] |
[{"from": "human", "value": "Given compound, write its potential SELFIES. -> o-Nitrotoluene\n"}, {"from": "gpt", "value": " [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Branch1][C][=O][=O]\n"}] |
[{"from": "human", "value": "Write InChI of given compound. -> Chlorzoxazone\n"}, {"from": "gpt", "value": " InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)\n"}] |
[{"from": "human", "value": "What is aqueous solubility of given InChI in 25 \u00b0C? -> InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3\n"}, {"from": "gpt", "value": " 0.0008128305161640995 mol/L\n"}] |
[{"from": "human", "value": "Given compound, write its potential SMILES. -> 2-Phenoxyethanol\n"}, {"from": "gpt", "value": " OCCOc1ccccc1\n"}] |
[{"from": "human", "value": "Write a possible SELFIES of given compound. -> Flucytosine\n"}, {"from": "gpt", "value": " [N][C][=N][C][=Branch1][C][=O][NH1][C][=C][Ring1][#Branch1][F]\n"}] |
[{"from": "human", "value": "Given SELFIES, write its water solubility expressed as a logarithm in mol/L in 25 \u00b0C. -> [C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][=Branch1][C][=O][=O]\n"}, {"from": "gpt", "value": " -2.41\n"}] |
[{"from": "human", "value": "What is water solubility of given SELFIES in 25 \u00b0C? -> [Cl][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][#Branch1][Cl][Cl][C][Branch1][C][Cl][C][=Branch1][=N][=C][Branch1][C][Cl][C][=Branch1][Branch1][=C][Ring1][#Branch1][Cl][Cl][Cl]\n"}, {"from": "gpt", "value": " 5.272298614228232e-08 mol/L\n"}] |
[{"from": "human", "value": "Given SMILES, write its aqueous solubility in 25 \u00b0C. -> CCC(C)C(=O)C\n"}, {"from": "gpt", "value": " 0.2137962089502232 mol/L\n"}] |
[{"from": "human", "value": "What is compound of given SMILES? -> CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1\n"}, {"from": "gpt", "value": " Oxycarboxin\n"}] |
[{"from": "human", "value": "Write compound of given InChI. -> InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H\n"}, {"from": "gpt", "value": " Lindane\n"}] |
[{"from": "human", "value": "Given InChI, write its water solubility in room temperature. -> InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)\n"}, {"from": "gpt", "value": " 6.397348354826482e-05 mol/L\n"}] |
[{"from": "human", "value": "What is compound of given SELFIES? -> [C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][=Branch1][C][=O][=O]\n"}, {"from": "gpt", "value": " p-Nitroanisole\n"}] |
[{"from": "human", "value": "Given SELFIES, write its compound. -> [C][C][O][C][=Branch1][C][=O][C][C][N][Branch2][Ring1][=C][S][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][=Ring1][#Branch1][Ring1][O][C][Branch1][C][C][C]\n"}, {"from": "gpt", "value": " Benfuracarb\n"}] |
[{"from": "human", "value": "Given InChI, write its compound. -> InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)\n"}, {"from": "gpt", "value": " Riboflavin\n"}] |
[{"from": "human", "value": "Write aqueous solubility of given InChI in 25 \u00b0C. -> InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2\n"}, {"from": "gpt", "value": " 0.013489628825916533 mol/L\n"}] |
[{"from": "human", "value": "What is water solubility expressed as a logarithm in mol/L of given SMILES in room temperature? -> Cc1cccc2ccccc12\n"}, {"from": "gpt", "value": " -3.7\n"}] |
[{"from": "human", "value": "What will be SELFIES of given compound? -> Cycloheptene\n"}, {"from": "gpt", "value": " [C][C][C][C][=C][C][C][Ring1][#Branch1]\n"}] |
[{"from": "human", "value": "What is InChI of given compound? -> 2-Heptanone\n"}, {"from": "gpt", "value": " InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3\n"}] |
[{"from": "human", "value": "Given SMILES, write its water solubility in 25 \u00b0C. -> CCCCCCCCCCCC(=O)OC\n"}, {"from": "gpt", "value": " 2.0417379446695274e-05 mol/L\n"}] |
[{"from": "human", "value": "What will be SELFIES of given compound? -> N,N-Dimethylaniline\n"}, {"from": "gpt", "value": " [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]\n"}] |
[{"from": "human", "value": "Given compound, write its water solubility expressed as a logarithm in mol/L in room temperature. -> Carbromal\n"}, {"from": "gpt", "value": " -2.68\n"}] |
[{"from": "human", "value": "What is water solubility expressed as a logarithm in mol/L of given InChI in room temperature? -> InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3\n"}, {"from": "gpt", "value": " -3.7539999999999996\n"}] |
[{"from": "human", "value": "Given compound, write its potential SMILES. -> Diallate\n"}, {"from": "gpt", "value": " CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl\n"}] |
[{"from": "human", "value": "Given compound, write its solubility in 25 \u00b0C. -> 3-Chlorobiphenyl\n"}, {"from": "gpt", "value": " Unable to answer the question due to lack of conditions\n"}] |
[{"from": "human", "value": "What is compound of given SMILES? -> Clc1ccccc1\n"}, {"from": "gpt", "value": " Chlorobenzene\n"}] |
[{"from": "human", "value": "Write compound of given InChI. -> InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)\n"}, {"from": "gpt", "value": " Chlorotoluron\n"}] |
[{"from": "human", "value": "What will be SELFIES of given compound? -> Propazine\n"}, {"from": "gpt", "value": " [C][C][Branch1][C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][O]\n"}] |
[{"from": "human", "value": "Given InChI, write its aqueous solubility expressed as a logarithm in mol/L in 25 \u00b0C. -> InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-6-8-14(18)9-7-12)13-4-3-5-15(19)10-13/h3-11,21H,1-2H3\n"}, {"from": "gpt", "value": " -4.53\n"}] |
[{"from": "human", "value": "What is aqueous solubility expressed as a logarithm in mol/L of given SMILES in room temperature? -> CN(C)C(=O)Nc1ccc(c(Cl)c1)n2nc(oc2=O)C(C)(C)C\n"}, {"from": "gpt", "value": " -4.328\n"}] |
[{"from": "human", "value": "Write compound of given SELFIES. -> [O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]\n"}, {"from": "gpt", "value": " Diphenyl ether \n"}] |
[{"from": "human", "value": "Write a possible SELFIES of given compound. -> 4-Heptanone\n"}, {"from": "gpt", "value": " [C][C][C][C][=Branch1][C][=O][C][C][C]\n"}] |
[{"from": "human", "value": "What is oil solubility expressed as a logarithm in mol/L of given InChI in room temperature? -> InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+\n"}, {"from": "gpt", "value": " Unable to answer the question due to lack of conditions\n"}] |
[{"from": "human", "value": "What is compound of given SELFIES? -> [Br][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]\n"}, {"from": "gpt", "value": " 2-Bromonapthalene\n"}] |
[{"from": "human", "value": "Given SMILES, write its water solubility expressed as a logarithm in mol/L in 25 \u00b0C. -> Cc1c(C)c(C)c(C)c(C)c1C\n"}, {"from": "gpt", "value": " -5.23\n"}] |