id stringlengths 15 190 | task stringclasses 1
value | answer stringclasses 4
values | correct_molecule stringlengths 5 149 | options listlengths 4 4 | options_logka listlengths 4 4 | host_name stringclasses 131
values | version stringclasses 1
value | question stringlengths 433 1.5k | source stringclasses 2
values | prompt_strategy stringclasses 1
value |
|---|---|---|---|---|---|---|---|---|---|---|
t2_β-Cyclodextrin_60 | task2 | D | Oxazine 1 | [
"(1R,2S)-2-Amino-1,2-diphenylethanol",
"N-Acetyl-L-tyrosine",
"(R)-2-Cyclohexyl-2-hydroxyacetic acid",
"Oxazine 1"
] | [
1.7344,
2.1139,
2.8116,
3.0492
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_61 | task2 | A | trans-4-methylcyclohexanol | [
"trans-4-methylcyclohexanol",
"(S)-3-Bromo-2-methyl-propionic acid methyl ester",
"Neutral red hydrochloride",
"4-(dimethylamino)benzonitrile"
] | [
3.3284,
2.4352,
2.7289,
2.7482
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_62 | task2 | C | (1R2R,3S,5R)-(-)-Pinanediol | [
"D-Phenylalanine methyl ester HCl",
"Brilliant cresyl blue",
"(1R2R,3S,5R)-(-)-Pinanediol",
"O,O′-Di-p-toluoyl-D-tartaric acid"
] | [
1.0426,
2.7135,
3.8082,
2.0212
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_63 | task2 | D | (1S,2S,3R,5S)-(+)-Pinanediol | [
"Thionin",
"(R)-3-Bromo-8-camphorsulfonic acid",
"Dehydrocorydaline",
"(1S,2S,3R,5S)-(+)-Pinanediol"
] | [
3.2504,
3.5752,
2.7694,
3.8035
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_64 | task2 | D | Cycloheptanol | [
"N-Carboxybenzyl-Glycine",
"Cyclohexanol",
"trans-4-methylcyclohexanol",
"Cycloheptanol"
] | [
2.1959,
2.8457,
3.3284,
3.3418
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_65 | task2 | B | 2-Phenoxathiin-2-ylquinoxaline | [
"(2R)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid",
"2-Phenoxathiin-2-ylquinoxaline",
"Procaine hydrochloride",
"4-Phenylbutanoate"
] | [
1.6721,
3.3469,
2.4365,
2.6385
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_66 | task2 | A | 4-aminodiamantane | [
"4-aminodiamantane",
"(R)-2-Phenylpropanoic acid",
"(S)-Mandelic acid methyl ester",
"3-methylcyclohexanol"
] | [
5.0547,
1.5315,
1.8384,
2.9191
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_67 | task2 | C | Phenoxathiine-3-carbaldehyde | [
"6-(p-toluidino)-2-naphthalenesulfonic acid sodium salt",
"8-(phenylamino)naphthalene-1-sulfonic acid",
"Phenoxathiine-3-carbaldehyde",
"Cyclobutanol"
] | [
3.4741,
1.9558,
3.7097,
1.1461
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_68 | task2 | C | Rhodamine B | [
"Ethanol",
"Cis-2-methylcyclohexanol",
"Rhodamine B",
"1-acetamidonaphthalene"
] | [
1.93,
2.9917,
3.7298,
2.1206
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_69 | task2 | A | (S)-N,N-Dimethyl-1-ferrocenylethylamine | [
"(S)-N,N-Dimethyl-1-ferrocenylethylamine",
"((4S,5S)-2-phenyl-1,3-dioxolane-4,5-diyl)dimethanol",
"(R)-(+)-3-Bromoisobutyric acid methyl ester",
"(R)-[1,1′-binaphthalene]-2,2′-diols"
] | [
3.8261,
2.0607,
2.4176,
2.568
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_70 | task2 | D | 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol | [
"(1R,2R,5R)-2-Hydroxy-3-pinanone",
"3-Phenylpropanoic acid",
"Auramine O",
"4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol"
] | [
3.3811,
2.2095,
1.9,
4.247
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_71 | task2 | C | (1R2R,3S,5R)-(-)-Pinanediol | [
"(2R,3R)-(-)-2-Benzyloxy-1,3,4-butanetriol",
"(S)-(-)-Propranolol hydrochloride",
"(1R2R,3S,5R)-(-)-Pinanediol",
"(1R,2S)-2-Amino-1,2-diphenylethanol"
] | [
1.9191,
2.0682,
3.8082,
1.7344
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_72 | task2 | A | 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol | [
"4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol",
"2-((1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl)acetate",
"N-Carboxybenzyl-L-Serine",
"1-Adamantanamine"
] | [
4.247,
3.4642,
2.0374,
3.9867
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_73 | task2 | C | Ferroceneacroboxylate | [
"1-Methyl-3-phenylpropylamine",
"R(-)-Mandelic acid methyl ester",
"Ferroceneacroboxylate",
"O,O′-dibenzoyl-d-tartaric acid"
] | [
2.2742,
1.8022,
3.0867,
1.5051
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_74 | task2 | D | 6,7-diazabicyclo(3.2.2)non-6-ene | [
"7-Methoxycoumarin",
"(2R,3R)-(-)-2-Benzyloxy-1,3,4-butanetriol",
"3-methylphenylacetate",
"6,7-diazabicyclo(3.2.2)non-6-ene"
] | [
2.1072,
1.9191,
1.0755,
3.4281
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_75 | task2 | C | 1-(Phenoxathiin-3-yl)ethan-1-one | [
"Dibenzoyl-L-tartaric acid",
"3-phenylbutanoate",
"1-(Phenoxathiin-3-yl)ethan-1-one",
"ethyl 5-(6-ethyl-4-Hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)furan-2-carboxylate"
] | [
1.2964,
2.5786,
3.8881,
2.8451
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_76 | task2 | B | 1-Adamantylammonium chloride | [
"Cyclohexaneacetic acid",
"1-Adamantylammonium chloride",
"D-phenylalanine amide",
"(R)-(-)-1-Phenyl-1,2-ethanediol"
] | [
3.1038,
3.9367,
2.0043,
1.7924
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_77 | task2 | A | trans-4-methylcyclohexanol | [
"trans-4-methylcyclohexanol",
"Pentylamine (protonated form)",
"(S)-10-Camphorsulfonic acid",
"((4S,5S)-2-phenyl-1,3-dioxolane-4,5-diyl)dimethanol"
] | [
3.3284,
0.9031,
2.6893,
2.0607
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_78 | task2 | B | ethyl 5-(6-ethyl-4-Hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)furan-2-carboxylate | [
"N-Acetyl-D-Tryptophan",
"ethyl 5-(6-ethyl-4-Hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)furan-2-carboxylate",
"D-Phenylalanine methyl ester HCl",
"N-(tert-Butoxycarbonyl)-D-serine"
] | [
1.1038,
2.8451,
1.0426,
2.4857
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_79 | task2 | A | (1S,2S,3R,5S)-(+)-Pinanediol | [
"(1S,2S,3R,5S)-(+)-Pinanediol",
"Ethanol",
"2-(benzyloxy)acetaldehyde",
"(R)-10-Camphorsulfonic acid"
] | [
3.8035,
1.93,
2.3424,
2.7513
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_80 | task2 | D | 1-Adamantanecarboxylic acid | [
"3-phenylbutanoate",
"(S)-(+)-3-Bromo-2-methyl-1-propanol",
"N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine",
"1-Adamantanecarboxylic acid"
] | [
2.5786,
2.1461,
3.9294,
4.4409
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_81 | task2 | D | Rhodamine B | [
"(R)-2-Cyclohexyl-2-hydroxyacetic acid",
"1-Methyl-3-phenylpropylamine",
"(S)-(-)-Propranolol hydrochloride",
"Rhodamine B"
] | [
2.8116,
2.2742,
2.0682,
3.7298
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_82 | task2 | C | 4-(diethylamino)benzonitrile | [
"(R)-2-Cyclohexyl-2-hydroxyacetic acid",
"(R)-(-)-2-Phenylbutyric acid",
"4-(diethylamino)benzonitrile",
"N-Carboxybenzyl-Glycine"
] | [
2.8116,
1.9731,
3.4314,
2.1959
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_83 | task2 | B | Phenoxathiine-3-carboxylic acid | [
"4-(4-hydroxyphenyl)phenol",
"Phenoxathiine-3-carboxylic acid",
"(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid",
"1-Octylammonium"
] | [
3.5153,
3.5274,
2.243,
2.6232
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_84 | task2 | C | pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diol | [
"Ferroceneacroboxylate",
"Neutral red hydrochloride",
"pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diol",
"(1S)-(-)-Camphanic acid"
] | [
3.0867,
2.7289,
5.0338,
2.316
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_85 | task2 | D | 1-diadamantylcarboxylic acid | [
"(R)-2-Phenylpropanoic acid",
"4-Hydroxy-7-methoxycoumarin",
"O-Benzyl-L-Serine",
"1-diadamantylcarboxylic acid"
] | [
1.5315,
1.9085,
1.8388,
5.6046
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_86 | task2 | B | 2-Adamantylamine hydrochloride | [
"Phenoxathiine-3-carboxylic acid",
"2-Adamantylamine hydrochloride",
"8-(phenylamino)naphthalene-1-sulfonic acid",
"(R)-(-)-alpha-Methoxyphenylacetic acid"
] | [
3.5274,
3.87,
1.9558,
1.0338
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_87 | task2 | B | D-3-Bromocamphor-8-sulfonic acid ammonium salt | [
"Pyrene",
"D-3-Bromocamphor-8-sulfonic acid ammonium salt",
"N-Carboxybenzyl-L-Serine",
"(R)-(-)-1-Phenyl-1,2-ethanediol"
] | [
3.3424,
3.5599,
2.0374,
1.7924
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_88 | task2 | C | 1-Aminodiamantane | [
"(R)-(-)-3-Bromo-2-methyl-1-propanol",
"Benzoate",
"1-Aminodiamantane",
"Pentylamine (protonated form)"
] | [
2.1523,
1.2014,
3.4563,
0.9031
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_89 | task2 | A | Sodium deoxycholate | [
"Sodium deoxycholate",
"(1S,E)-(-)-Camphorquinone 3-oxime",
"Ethanol",
"Pyronine b"
] | [
3.6852,
3.3783,
1.93,
3.3222
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_90 | task2 | C | 1-Adamantanol | [
"(R)-(+)-3-Bromoisobutyric acid methyl ester",
"(R)-(-)-2-Phenylbutyric acid",
"1-Adamantanol",
"N-Acetyl-D-Tryptophan"
] | [
2.4176,
1.9731,
4.6791,
1.1038
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_91 | task2 | C | 4-propan-2-ylphenol | [
"Cinchocaine hydrochloride",
"N-Carboxybenzyl-L-Serine",
"4-propan-2-ylphenol",
"(R)-(+)-3-Bromoisobutyric acid methyl ester"
] | [
2.7929,
2.0374,
3.1722,
2.4176
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_92 | task2 | A | Phenoxathiine-3-carbaldehyde | [
"Phenoxathiine-3-carbaldehyde",
"7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione",
"2-aminofluorene",
"Cholic acid, monosodium salt"
] | [
3.7097,
2.985,
3.1492,
3.6094
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_93 | task2 | A | 4-aminodiamantane | [
"4-aminodiamantane",
"4-(diethylamino)benzonitrile",
"(S)-Mandelic acid methyl ester",
"6-Propionyl-2-(dimethy-lamino)-napthalene"
] | [
5.0547,
3.4314,
1.8384,
2.9356
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_94 | task2 | D | 4-propan-2-ylphenol | [
"Auramine O",
"6-Propionyl-2-(dimethy-lamino)-napthalene",
"((4R,5R)-2-Phenyl-1,3-dioxolane-4,5-diyl)dimethanol",
"4-propan-2-ylphenol"
] | [
1.9,
2.9356,
2.0682,
3.1722
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_95 | task2 | C | 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate | [
"(1R2R,3S,5R)-(-)-Pinanediol",
"(2S,3S)-2-(Benzyloxy)butane-1,3,4-triol",
"2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate",
"(S)-(-)-3-Phenyllactic acid"
] | [
3.8082,
1.9294,
4.9777,
1.9191
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_96 | task2 | B | 1-(Phenoxathiin-3-yl)ethan-1-one | [
"Heptanoate",
"1-(Phenoxathiin-3-yl)ethan-1-one",
"Oxazine 1",
"Serotonin"
] | [
2.4786,
3.8881,
3.0492,
1.7259
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_97 | task2 | C | 1-Adamantane acetate potassium salt | [
"Butyl Rhodamine B",
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"1-Adamantane acetate potassium salt",
"Toluidine Blue O"
] | [
3.6086,
2.382,
5.0294,
2.6454
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_98 | task2 | B | D-3-Bromocamphor-8-sulfonic acid ammonium salt | [
"O,O′-Di-p-toluoyl-D-tartaric acid",
"D-3-Bromocamphor-8-sulfonic acid ammonium salt",
"1-Aminodiamantane",
"Neutral red hydrochloride"
] | [
2.0212,
3.5599,
3.4563,
2.7289
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_99 | task2 | D | 2-aminofluorene | [
"(S)-(+)-2-Phenylpropionic acid",
"Dehydrocorydaline",
"1-methylcyclohexanol",
"2-aminofluorene"
] | [
1.5563,
2.7694,
3.0607,
3.1492
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_100 | task2 | C | (1S,2R)-(+)-2-Amino-1,2-diphenylethanol | [
"O,O′-dibenzoyl-d-tartaric acid",
"(S)-(+)-alpha-Methoxyphenylacetic acid",
"(1S,2R)-(+)-2-Amino-1,2-diphenylethanol",
"Benzoate"
] | [
1.5051,
0.9986,
1.6628,
1.2014
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_101 | task2 | C | Cholic acid, monosodium salt | [
"(R)-2-Cyclohexyl-2-hydroxyacetic acid",
"(S)-(+)-alpha-Methoxyphenylacetic acid",
"Cholic acid, monosodium salt",
"(R)-(-)-alpha-Methoxyphenylacetic acid"
] | [
2.8116,
0.9986,
3.6094,
1.0338
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_102 | task2 | A | Acridine Orange hydrochloride | [
"Acridine Orange hydrochloride",
"N-Acetyl-L-Phenylalanine",
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"(1S)-(-)-Camphanic acid"
] | [
3.0792,
1.8293,
2.382,
2.316
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_103 | task2 | B | (1R,2R,5R)-2-Hydroxy-3-pinanone | [
"1-adamantyltrimethylammonium",
"(1R,2R,5R)-2-Hydroxy-3-pinanone",
"Cinchocaine hydrochloride",
"O-Benzyl-L-Serine"
] | [
3.3255,
3.3811,
2.7929,
1.8388
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_104 | task2 | D | (2R)-2-(phenylmethoxycarbonylamino)propanoic acid | [
"L-phenylalanine amide",
"3-methylphenylacetate",
"(S)-(-)-Propranolol hydrochloride",
"(2R)-2-(phenylmethoxycarbonylamino)propanoic acid"
] | [
2.0374,
1.0755,
2.0682,
2.1732
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_105 | task2 | A | D-3-Bromocamphor-8-sulfonic acid ammonium salt | [
"D-3-Bromocamphor-8-sulfonic acid ammonium salt",
"(1R,3S)-(+)-Camphoric acid",
"New Methylene blue",
"(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid"
] | [
3.5599,
1.2788,
3.2041,
2.243
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_106 | task2 | D | cis-4-methylcyclohexanol | [
"N-Acetyl-L-Tryptophan",
"N-(tert-Butoxycarbonyl)-D-serine",
"Ethanol",
"cis-4-methylcyclohexanol"
] | [
1.233,
2.4857,
1.93,
3.1649
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_107 | task2 | A | Cholic acid, monosodium salt | [
"Cholic acid, monosodium salt",
"4-Phenylbutanoate",
"4-Phenylbutylamine",
"(S)-(+)-1-Cyclohexylethylamine"
] | [
3.6094,
2.6385,
2.6075,
2.5159
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_108 | task2 | D | 9-Hydroxyphenylfluoron | [
"(1R,2S)-2-Amino-1,2-diphenylethanol",
"Procaine hydrochloride",
"(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid",
"9-Hydroxyphenylfluoron"
] | [
1.7344,
2.4365,
2.243,
3.0386
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_109 | task2 | B | 1-Adamantanol | [
"(2R)-2-(phenylmethoxycarbonylamino)propanoic acid",
"1-Adamantanol",
"(2R,3R)-(-)-2-Benzyloxy-1,3,4-butanetriol",
"1-acetamidonaphthalene"
] | [
2.1732,
4.6791,
1.9191,
2.1206
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_110 | task2 | A | N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine | [
"N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine",
"Cinchocaine hydrochloride",
"1-acetamidonaphthalene",
"(2S,3S)-2-(Benzyloxy)butane-1,3,4-triol"
] | [
3.9294,
2.7929,
2.1206,
1.9294
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_111 | task2 | C | (S)-N,N-Dimethyl-1-ferrocenylethylamine | [
"1-Hexylammonium",
"4-methoxyphenylacetate",
"(S)-N,N-Dimethyl-1-ferrocenylethylamine",
"O,O′-dibenzoyl-d-tartaric acid"
] | [
1.822,
1.8407,
3.8261,
1.5051
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_112 | task2 | B | 4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)benzenesulfonate | [
"1-Butanol",
"4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)benzenesulfonate",
"Pyronin Y",
"4-(4-hydroxyphenyl)phenol"
] | [
2,
3.7394,
2.6021,
3.5153
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_113 | task2 | C | Cholic acid, monosodium salt | [
"(S)-Mandelic acid methyl ester",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Cholic acid, monosodium salt",
"(S)-(+)-3-Bromo-2-methyl-1-propanol"
] | [
1.8384,
2.992,
3.6094,
2.1461
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_114 | task2 | A | (1S,2S,3R,5S)-(+)-Pinanediol | [
"(1S,2S,3R,5S)-(+)-Pinanediol",
"(S)-3-Bromo-2-methyl-propionic acid methyl ester",
"(2R)-2-(phenylmethoxycarbonylamino)propanoic acid",
"Pyronin Y"
] | [
3.8035,
2.4352,
2.1732,
2.6021
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_115 | task2 | B | 1-Adamantanol | [
"Cyclohexaneacetic acid",
"1-Adamantanol",
"6-Propionyl-2-(dimethy-lamino)-napthalene",
"Dibenzoyl-L-tartaric acid"
] | [
3.1038,
4.6791,
2.9356,
1.2964
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_116 | task2 | B | 4-aminodiamantane | [
"D-3-Bromocamphor-8-sulfonic acid ammonium salt",
"4-aminodiamantane",
"(1R)-(+)-Camphanic acid",
"1-Hexylammonium"
] | [
3.5599,
5.0547,
2.2504,
1.822
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_117 | task2 | C | trans-4-methylcyclohexanol | [
"Cyclopentanol",
"2-(benzyloxy)acetaldehyde",
"trans-4-methylcyclohexanol",
"6-Phenylamino-naphthalene-2-sulfonic acid anion"
] | [
2.2355,
2.3424,
3.3284,
3.1303
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_118 | task2 | A | Chlorpromazine hydrochloride | [
"Chlorpromazine hydrochloride",
"Pyronine b",
"3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-4-hydroxy-7-methoxy-2H-chromen-2-one",
"4-hydroxyazobenzene"
] | [
4.0006,
3.3222,
2.5315,
2.5302
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_119 | task2 | B | 4-aminodiamantane | [
"N-Carboxybenzyl-Glycine",
"4-aminodiamantane",
"(S)-(+)-1-Cyclohexylethylamine",
"N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine"
] | [
2.1959,
5.0547,
2.5159,
3.9294
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_120 | task2 | C | 2-Phenoxathiin-2-ylquinoxaline | [
"3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-4-hydroxy-7-methoxy-2H-chromen-2-one",
"N-Boc-D-Alanine",
"2-Phenoxathiin-2-ylquinoxaline",
"(2S)-2-(phenylmethoxycarbonylamino)propanoic acid"
] | [
2.5315,
2.5933,
3.3469,
2.1673
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_121 | task2 | C | Sodium taurocholate | [
"(R)-(-)-1-Cyclohexylethylamine",
"(R)-(-)-2-Phenylbutyric acid",
"Sodium taurocholate",
"4-(dimethylamino)benzonitrile"
] | [
2.5172,
1.9731,
3.3604,
2.7482
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_122 | task2 | D | Sodium deoxycholate | [
"Cyclohexaneacetic acid",
"4-ami-noazobenzene",
"6-Propionyl-2-(dimethy-lamino)-napthalene",
"Sodium deoxycholate"
] | [
3.1038,
2.6637,
2.9356,
3.6852
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_123 | task2 | C | (R)-2-Cyclohexyl-2-hydroxyacetic acid | [
"((4R,5R)-2-Phenyl-1,3-dioxolane-4,5-diyl)dimethanol",
"(S)-(-)-3-Phenyllactic acid",
"(R)-2-Cyclohexyl-2-hydroxyacetic acid",
"(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid"
] | [
2.0682,
1.9191,
2.8116,
2.243
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_124 | task2 | B | Rhodamine B | [
"(S)-Mandelic acid methyl ester",
"Rhodamine B",
"Oxazine 1",
"D-3-Bromocamphor-8-sulfonic acid ammonium salt"
] | [
1.8384,
3.7298,
3.0492,
3.5599
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_125 | task2 | A | 4-diadamantylcarboxylic acid | [
"4-diadamantylcarboxylic acid",
"(1R,2R)-trans-1,2-Cyclohexanediol",
"(R)-10-Camphorsulfonic acid",
"(1R,3S)-(+)-Camphoric acid"
] | [
4.7007,
1.9294,
2.7513,
1.2788
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_126 | task2 | D | 1-Adamantane acetate potassium salt | [
"Cyclopentanol",
"(R)-(-)-Mandelic acid",
"2-Phenoxathiin-2-ylquinoxaline",
"1-Adamantane acetate potassium salt"
] | [
2.2355,
1.0338,
3.3469,
5.0294
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_127 | task2 | A | 1-Adamantanol | [
"1-Adamantanol",
"Acridine Orange hydrochloride",
"4-propan-2-ylphenol",
"(r)-3-phenylbutyric acid"
] | [
4.6791,
3.0792,
3.1722,
2.6034
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_128 | task2 | B | N-methyl-N0-adamantane carbomethyl-4,40-bipyridinium | [
"(S)-(-)-Propranolol hydrochloride",
"N-methyl-N0-adamantane carbomethyl-4,40-bipyridinium",
"D-phenylalanine amide",
"(S)-10-Camphorsulfonic acid"
] | [
2.0682,
4.5105,
2.0043,
2.6893
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_129 | task2 | B | (1S,E)-(-)-Camphorquinone 3-oxime | [
"(R)-(-)-2-Phenylbutyric acid",
"(1S,E)-(-)-Camphorquinone 3-oxime",
"(S)-Hexahydromandelic acid",
"(1S,2D,5S)-(-)-2-Hydroxy-3-pinanone"
] | [
1.9731,
3.3783,
2.7803,
3.3636
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_130 | task2 | A | Chlorpromazine hydrochloride | [
"Chlorpromazine hydrochloride",
"D-Phenylalanine methyl ester HCl",
"ethyl 5-(6-ethyl-4-Hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)furan-2-carboxylate",
"6-Phenylamino-naphthalene-2-sulfonic acid anion"
] | [
4.0006,
1.0426,
2.8451,
3.1303
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_131 | task2 | A | N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine | [
"N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine",
"4-(4-hydroxyphenyl)phenol",
"(S)-2-Phenylbutanoic acid",
"Trans-2-methylcyclohexanol"
] | [
3.9138,
3.5153,
1.9777,
2.8698
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_132 | task2 | A | Phenoxathiine-3-carbaldehyde | [
"Phenoxathiine-3-carbaldehyde",
"(1S,3R)-(-)-Camphoric acid",
"Berberine chloride",
"Acridine Orange hydrochloride"
] | [
3.7097,
1.3802,
2.0715,
3.0792
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_133 | task2 | C | (1R2R,3S,5R)-(-)-Pinanediol | [
"cis-4-methylcyclohexanol",
"N-Acetyl-L-Tryptophan",
"(1R2R,3S,5R)-(-)-Pinanediol",
"4-(4-hydroxyphenyl)phenol"
] | [
3.1649,
1.233,
3.8082,
3.5153
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_134 | task2 | A | Acridine red | [
"Acridine red",
"Pyronine b",
"Neutral red hydrochloride",
"(1R,E)-(+)-Camphorquinone 3-oxime"
] | [
3.42,
3.3222,
2.7289,
3.4029
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_135 | task2 | C | Pyrene | [
"(S)-(+)-3-Bromo-2-methyl-1-propanol",
"(R)-(-)-1-Cyclohexylethylamine",
"Pyrene",
"(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid"
] | [
2.1461,
2.5172,
3.3424,
2.0969
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_136 | task2 | C | 1-adamantyltrimethylammonium | [
"O-Benzyl-L-Serine",
"4-propan-2-ylphenol",
"1-adamantyltrimethylammonium",
"D-Phenylalanine methyl ester HCl"
] | [
1.8388,
3.1722,
3.3255,
1.0426
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_137 | task2 | B | 1-Adamantane acetate potassium salt | [
"Oxazine 1",
"1-Adamantane acetate potassium salt",
"O,O′-Di-p-toluoyl-D-tartaric acid",
"Pyronine b"
] | [
3.0492,
5.0294,
2.0212,
3.3222
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_138 | task2 | B | ethyl 5-(6-ethyl-4-Hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)furan-2-carboxylate | [
"3-Bromo-1-propanol",
"ethyl 5-(6-ethyl-4-Hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)furan-2-carboxylate",
"Pentylamine (protonated form)",
"(R)-10-Camphorsulfonic acid"
] | [
1.3489,
2.8451,
0.9031,
2.7513
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_139 | task2 | B | N-methyl-N0-adamantane carbomethyl-4,40-bipyridinium | [
"N-Boc-L-serine",
"N-methyl-N0-adamantane carbomethyl-4,40-bipyridinium",
"Cyclobutanol",
"N-retinylidine-N-ethanolamine"
] | [
2.4548,
4.5105,
1.1461,
2.3979
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_140 | task2 | D | Dehydrocorydaline | [
"4-methoxyphenylacetate",
"(1R)-(+)-Camphanic acid",
"2-(benzyloxy)acetaldehyde",
"Dehydrocorydaline"
] | [
1.8407,
2.2504,
2.3424,
2.7694
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_141 | task2 | B | Cyclooctanol | [
"4-ami-noazobenzene",
"Cyclooctanol",
"(R)-(+)-Propranolol hydrochloride",
"8-(phenylamino)naphthalene-1-sulfonic acid"
] | [
2.6637,
3.6439,
2.0607,
1.9558
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_142 | task2 | A | Trans-2-methylcyclohexanol | [
"Trans-2-methylcyclohexanol",
"(S)-(+)-Benzyl glycidyl ether",
"O,O′-Di-p-toluoyl-L-tartaric acid",
"1-Methyl-3-phenylpropylamine"
] | [
2.8698,
2.3579,
1.9797,
2.2742
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_143 | task2 | D | 2-Adamantylamine hydrochloride | [
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"(1S,2R)-(+)-2-Amino-1,2-diphenylethanol",
"(1R,E)-(+)-Camphorquinone 3-oxime",
"2-Adamantylamine hydrochloride"
] | [
2.382,
1.6628,
3.4029,
3.87
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_144 | task2 | B | 4-(4-hydroxyphenyl)phenol | [
"(S)-3-Bromo-2-methyl-propionic acid methyl ester",
"4-(4-hydroxyphenyl)phenol",
"1-methylcyclohexanol",
"4-Phenylbutanoate"
] | [
2.4352,
3.5153,
3.0607,
2.6385
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_145 | task2 | C | 1-Adamantane acetate potassium salt | [
"N-Boc-l-Alanine",
"7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione",
"1-Adamantane acetate potassium salt",
"Acridine Orange hydrochloride"
] | [
2.5647,
2.985,
5.0294,
3.0792
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_146 | task2 | D | 4-Phenylbutanoate | [
"(S)-(+)-2-Phenylpropionic acid",
"3-Bromo-1-propanol",
"7-Methoxy-8-(3-methylbut-2-enyl)chromen-2-one",
"4-Phenylbutanoate"
] | [
1.5563,
1.3489,
2.0896,
2.6385
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_147 | task2 | D | 2-Adamantylamine hydrochloride | [
"(2S,3S)-2-(Benzyloxy)butane-1,3,4-triol",
"(2R)-2-(phenylmethoxycarbonylamino)propanoic acid",
"(R)-10-Camphorsulfonic acid",
"2-Adamantylamine hydrochloride"
] | [
1.9294,
2.1732,
2.7513,
3.87
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_148 | task2 | C | [Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium | [
"Serotonin",
"(2R,3R)-(-)-2-Benzyloxy-1,3,4-butanetriol",
"[Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium",
"(S)-(+)-2-Phenylpropionic acid"
] | [
1.7259,
1.9191,
2.1139,
1.5563
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_149 | task2 | C | Cholic acid, monosodium salt | [
"3-methylcyclohexanol",
"4-(dimethylamino)benzonitrile",
"Cholic acid, monosodium salt",
"(2S)-2-(phenylmethoxycarbonylamino)propanoic acid"
] | [
2.9191,
2.7482,
3.6094,
2.1673
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_150 | task2 | B | Phenolphthalein | [
"N-Acetyl-D-phenylalanine",
"Phenolphthalein",
"Meldola’s blue",
"Procaine hydrochloride"
] | [
1.7832,
4.6767,
3.0095,
2.4365
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_151 | task2 | D | 4-(4-hydroxyphenyl)phenol | [
"6-Phenylamino-naphthalene-2-sulfonic acid anion",
"(1S,E)-(-)-Camphorquinone 3-oxime",
"2-(benzyloxy)acetaldehyde",
"4-(4-hydroxyphenyl)phenol"
] | [
3.1303,
3.3783,
2.3424,
3.5153
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_152 | task2 | C | 4-(diethylamino)benzonitrile | [
"3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-4-hydroxy-7-methoxy-2H-chromen-2-one",
"1-Methyl-3-phenylpropylamine",
"4-(diethylamino)benzonitrile",
"Boc-D-alanine methyl ester"
] | [
2.5315,
2.2742,
3.4314,
2.8189
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_153 | task2 | A | Sodium deoxycholate | [
"Sodium deoxycholate",
"Pyronine b",
"4-(diethylamino)benzonitrile",
"4-Phenylbutylamine"
] | [
3.6852,
3.3222,
3.4314,
2.6075
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_154 | task2 | D | (1S,2S,3R,5S)-(+)-Pinanediol | [
"8-(phenylamino)naphthalene-1-sulfonic acid",
"(2R,3R)-(-)-2-Benzyloxy-1,3,4-butanetriol",
"(R)-(-)-Benzyl glycidyl ether",
"(1S,2S,3R,5S)-(+)-Pinanediol"
] | [
1.9558,
1.9191,
2.3692,
3.8035
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_155 | task2 | A | 9-Hydroxyphenylfluoron | [
"9-Hydroxyphenylfluoron",
"(1S,2R)-(+)-2-Amino-1,2-diphenylethanol",
"3-Phenylpropanoic acid",
"Cyclohexanol"
] | [
3.0386,
1.6628,
2.2095,
2.8457
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_156 | task2 | B | Toluidine Blue O | [
"(S)-(-)-Propranolol hydrochloride",
"Toluidine Blue O",
"4-Phenylbutylamine",
"(1S,3R)-(-)-Camphoric acid"
] | [
2.0682,
2.6454,
2.6075,
1.3802
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_157 | task2 | C | (S)-2-Phenylbutanoic acid | [
"phenylacetate",
"3-methylphenylacetate",
"(S)-2-Phenylbutanoic acid",
"(2R)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid"
] | [
1.2405,
1.0755,
1.9777,
1.6721
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_158 | task2 | D | cis-4-methylcyclohexanol | [
"Berberine chloride",
"Serotonin",
"D-Phenylalanine methyl ester HCl",
"cis-4-methylcyclohexanol"
] | [
2.0715,
1.7259,
1.0426,
3.1649
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_β-Cyclodextrin_159 | task2 | A | D-3-Bromocamphor-8-sulfonic acid ammonium salt | [
"D-3-Bromocamphor-8-sulfonic acid ammonium salt",
"(S)-(+)-1-Phenyl-1,2-ethanediol",
"(S)-(+)-1-Cyclohexylethylamine",
"3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-4-hydroxy-7-methoxy-2H-chromen-2-one"
] | [
3.5599,
1.7973,
2.5159,
2.5315
] | β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule β-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
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