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_160 | task2 | A | Cycloheptanol | [
"Cycloheptanol",
"4-Phenylbutanoate",
"4-(dimethylamino)benzonitrile",
"(1S)-(-)-Camphanic acid"
] | [
3.3418,
2.6385,
2.7482,
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_161 | task2 | C | Phenoxathiine-3-carboxylic acid | [
"(S)-10-Camphorsulfonic acid",
"N-Carboxybenzyl-L-Serine",
"Phenoxathiine-3-carboxylic acid",
"Neutral red hydrochloride"
] | [
2.6893,
2.0374,
3.5274,
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_162 | task2 | D | 1-Adamantanol | [
"N-Carboxybenzyl-Glycine",
"Chlorpromazine hydrochloride",
"N-Carboxybenzyl-L-Serine",
"1-Adamantanol"
] | [
2.1959,
4.0006,
2.0374,
4.6791
] | 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_163 | task2 | D | Pyronin Y | [
"(R)-(-)-Benzyl glycidyl ether",
"Ethanol",
"4-methylphenylacetate",
"Pyronin Y"
] | [
2.3692,
1.93,
1.6064,
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_164 | task2 | B | Acridine red | [
"Sodium taurocholate",
"Acridine red",
"2-aminofluorene",
"(1R,2S)-2-Amino-1,2-diphenylethanol"
] | [
3.3604,
3.42,
3.1492,
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_165 | task2 | C | Butyl Rhodamine B | [
"(R)-(-)-Benzyl glycidyl ether",
"4-methoxyphenylacetate",
"Butyl Rhodamine B",
"(S)-(-)-Propranolol hydrochloride"
] | [
2.3692,
1.8407,
3.6086,
2.0682
] | 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_166 | task2 | D | Acridine red | [
"3-methylphenylacetate",
"(R)-(-)-3-Bromo-2-methyl-1-propanol",
"Safranine T",
"Acridine red"
] | [
1.0755,
2.1523,
2.2041,
3.42
] | 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_167 | task2 | A | 4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)benzenesulfonate | [
"4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)benzenesulfonate",
"(R)-3-Bromo-8-camphorsulfonic acid",
"4-hydroxyazobenzene",
"Cyclohexanol"
] | [
3.7394,
3.5752,
2.5302,
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_168 | task2 | C | 1-Adamantylammonium chloride | [
"(S)-(+)-1-Cyclohexylethylamine",
"Phenoxathiine-3-carbaldehyde",
"1-Adamantylammonium chloride",
"2-((1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl)acetate"
] | [
2.5159,
3.7097,
3.9367,
3.4642
] | 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_169 | 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",
"N-Acetyl-L-tyrosine",
"Sodium taurocholate",
"D-phenylalanine amide"
] | [
3.9294,
2.1139,
3.3604,
2.0043
] | 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_170 | task2 | B | Chlorpromazine hydrochloride | [
"4-(diethylamino)benzonitrile",
"Chlorpromazine hydrochloride",
"1-(hydroxymethyl)-ferrocene",
"Phenoxathiine-3-carbaldehyde"
] | [
3.4314,
4.0006,
3.9874,
3.7097
] | 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_171 | task2 | D | Rhodamine B | [
"4-(4-hydroxyphenyl)phenol",
"1-acetamidonaphthalene",
"Ethanol",
"Rhodamine B"
] | [
3.5153,
2.1206,
1.93,
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_172 | task2 | A | 1-Adamantylammonium chloride | [
"1-Adamantylammonium chloride",
"Procaine hydrochloride",
"(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid",
"Sodium glycocholate"
] | [
3.9367,
2.4365,
2.243,
3.3791
] | 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_173 | task2 | B | 9-Hydroxyphenylfluoron | [
"D-phenylalanine amide",
"9-Hydroxyphenylfluoron",
"N-Acetyl-L-Phenylalanine",
"N-Carboxybenzyl-Glycine"
] | [
2.0043,
3.0386,
1.8293,
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_174 | task2 | B | Cinchocaine hydrochloride | [
"(1R,2S)-2-Amino-1,2-diphenylethanol",
"Cinchocaine hydrochloride",
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"4-Phenylbutylamine"
] | [
1.7344,
2.7929,
2.382,
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_175 | task2 | B | Phenolphthalein | [
"(r)-3-phenylbutyric acid",
"Phenolphthalein",
"1-Adamantylammonium chloride",
"glycyl-L-phenylalanine"
] | [
2.6034,
4.6767,
3.9367,
1.7324
] | 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_176 | task2 | C | Cyclooctanol | [
"(1S,2D,5S)-(-)-2-Hydroxy-3-pinanone",
"4-propan-2-ylphenol",
"Cyclooctanol",
"(1S,2S)-trans-1,2-Cyclohexanediol"
] | [
3.3636,
3.1722,
3.6439,
1.9345
] | 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_177 | task2 | A | 1-diadamantylcarboxylic acid | [
"1-diadamantylcarboxylic acid",
"(Trimethylamino)methyl)ferrocene",
"N-Acetyl-L-Tryptophan",
"(S)-(+)-2-Phenylpropionic acid"
] | [
5.6046,
3.1583,
1.233,
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_178 | task2 | A | 4-propan-2-ylphenol | [
"4-propan-2-ylphenol",
"1-methylcyclohexanol",
"(R)-(-)-3-Bromo-2-methyl-1-propanol",
"Cyclohexaneacetic acid"
] | [
3.1722,
3.0607,
2.1523,
3.1038
] | 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_179 | task2 | A | Sodium deoxycholate | [
"Sodium deoxycholate",
"(R)-(-)-Mandelic acid",
"O-Benzyl-L-Serine",
"Heptanoate"
] | [
3.6852,
1.0338,
1.8388,
2.4786
] | 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_180 | task2 | A | Bisphenol A | [
"Bisphenol A",
"Boc-D-alanine methyl ester",
"(R)-[1,1′-binaphthalene]-2,2′-diols",
"(S)-(+)-3-Bromo-2-methyl-1-propanol"
] | [
4.901,
2.8189,
2.568,
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_181 | task2 | B | 1-Adamantanecarboxylic acid | [
"Cyclobutanol",
"1-Adamantanecarboxylic acid",
"(R)-(-)-alpha-Methoxyphenylacetic acid",
"Chlorpromazine hydrochloride"
] | [
1.1461,
4.4409,
1.0338,
4.0006
] | 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_182 | task2 | B | (R)-N,N-Dimethyl-1-ferrocenylethylamine | [
"Phenoxathiine-3-carbaldehyde",
"(R)-N,N-Dimethyl-1-ferrocenylethylamine",
"Procaine hydrochloride",
"3-Methoxyphenylacetate"
] | [
3.7097,
3.7491,
2.4365,
1.5798
] | 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_183 | task2 | A | 4-propan-2-ylphenol | [
"4-propan-2-ylphenol",
"N-retinylidine-N-ethanolamine",
"(2R)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid",
"(S)-(+)-1-Cyclohexylethylamine"
] | [
3.1722,
2.3979,
1.6721,
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_184 | task2 | B | Cyclooctanol | [
"Methylene Blue",
"Cyclooctanol",
"Cinchocaine hydrochloride",
"(1S)-(-)-Camphanic acid"
] | [
2.6128,
3.6439,
2.7929,
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_185 | task2 | B | (1R,2R,5R)-2-Hydroxy-3-pinanone | [
"Dibenzoyl-L-tartaric acid",
"(1R,2R,5R)-2-Hydroxy-3-pinanone",
"1-Methyl-3-phenylpropylamine",
"[Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium"
] | [
1.2964,
3.3811,
2.2742,
2.1139
] | 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_186 | task2 | A | (1S,2S,3R,5S)-(+)-Pinanediol | [
"(1S,2S,3R,5S)-(+)-Pinanediol",
"trans-4-methylcyclohexanol",
"(S)-(+)-Benzyl glycidyl ether",
"(R)-(-)-Benzyl glycidyl ether"
] | [
3.8035,
3.3284,
2.3579,
2.3692
] | 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_187 | task2 | B | 3-methylcyclohexanol | [
"3-Phenylpropanoic acid",
"3-methylcyclohexanol",
"Cyclobutanol",
"1-Hexylammonium"
] | [
2.2095,
2.9191,
1.1461,
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_188 | task2 | C | 1-Adamantanol | [
"D-phenylalanine amide",
"(2S,3S)-2-(Benzyloxy)butane-1,3,4-triol",
"1-Adamantanol",
"3-Methoxyphenylacetate"
] | [
2.0043,
1.9294,
4.6791,
1.5798
] | 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_189 | task2 | C | (1S,2D,5S)-(-)-2-Hydroxy-3-pinanone | [
"4-(dimethylamino)benzonitrile",
"Safranine T",
"(1S,2D,5S)-(-)-2-Hydroxy-3-pinanone",
"Brilliant cresyl blue"
] | [
2.7482,
2.2041,
3.3636,
2.7135
] | 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_190 | task2 | B | Cholic acid, monosodium salt | [
"(1S,2R)-(+)-2-Amino-1,2-diphenylethanol",
"Cholic acid, monosodium salt",
"Brilliant cresyl blue",
"(R)-2-Cyclohexyl-2-hydroxyacetic acid"
] | [
1.6628,
3.6094,
2.7135,
2.8116
] | 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_191 | task2 | A | (R)-N,N-Dimethyl-1-ferrocenylethylamine | [
"(R)-N,N-Dimethyl-1-ferrocenylethylamine",
"Boc-D-alanine methyl ester",
"D-3-Bromocamphor-8-sulfonic acid ammonium salt",
"Berberine chloride"
] | [
3.7491,
2.8189,
3.5599,
2.0715
] | 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_192 | task2 | C | Cyclohexanol | [
"(S)-(+)-2-Phenylpropionic acid",
"(S)-(-)-3-Phenyllactic acid",
"Cyclohexanol",
"4-(dimethylamino)benzonitrile"
] | [
1.5563,
1.9191,
2.8457,
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_193 | task2 | B | 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol | [
"6,7-diazabicyclo(3.2.2)non-6-ene",
"4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol",
"(S)-N,N-Dimethyl-1-ferrocenylethylamine",
"(R)-[1,1′-binaphthalene]-2,2′-diols"
] | [
3.4281,
4.247,
3.8261,
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_194 | task2 | B | Heptanoate | [
"8-(phenylamino)naphthalene-1-sulfonic acid",
"Heptanoate",
"(R)-(-)-Mandelic acid",
"7-Methoxycoumarin"
] | [
1.9558,
2.4786,
1.0338,
2.1072
] | 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_195 | task2 | C | 6-(p-toluidino)-2-naphthalenesulfonic acid sodium salt | [
"6,7-diazabicyclo(3.2.2)non-6-ene",
"Serotonin",
"6-(p-toluidino)-2-naphthalenesulfonic acid sodium salt",
"Dehydrocorydaline"
] | [
3.4281,
1.7259,
3.4741,
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_196 | task2 | A | 1-Adamantanecarboxylic acid | [
"1-Adamantanecarboxylic acid",
"4-propan-2-ylphenol",
"(R)-(-)-1-Cyclohexylethylamine",
"Cyclobutanol"
] | [
4.4409,
3.1722,
2.5172,
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_197 | task2 | B | 1-Adamantanol | [
"(R)-(-)-Mandelic acid",
"1-Adamantanol",
"Dibenzoyl-L-tartaric acid",
"(2R)-2-(phenylmethoxycarbonylamino)propanoic acid"
] | [
1.0338,
4.6791,
1.2964,
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_198 | task2 | C | N-Boc-D-Alanine | [
"[Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium",
"L-phenylalanine amide",
"N-Boc-D-Alanine",
"N-Boc-L-serine"
] | [
2.1139,
2.0374,
2.5933,
2.4548
] | 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_199 | task2 | B | 4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)benzenesulfonate | [
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)benzenesulfonate",
"Cyclopentanol",
"(1R,2R,5R)-2-Hydroxy-3-pinanone"
] | [
2.992,
3.7394,
2.2355,
3.3811
] | 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_γ-Cyclodextrin_0 | task2 | D | Pyronine b | [
"Procaine hydrochloride",
"4,9-diaminodiamantane",
"N-retinylidine-N-ethanolamine",
"Pyronine b"
] | [
1.4598,
1,
0.4378,
2.2788
] | γ-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 γ-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_γ-Cyclodextrin_1 | task2 | C | 9-carboxytriamantane | [
"4,9-diaminodiamantane",
"4-aminodiamantane",
"9-carboxytriamantane",
"1-Adamantane acetate potassium salt"
] | [
1,
3.3948,
5.7124,
3.0128
] | γ-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 γ-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_γ-Cyclodextrin_2 | task2 | C | 9-carboxytriamantane | [
"1-Adamantanamine",
"Procaine hydrochloride",
"9-carboxytriamantane",
"2,3-Diazabicyclo(2.2.2)oct-2-ene"
] | [
1,
1.4598,
5.7124,
0.7782
] | γ-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 γ-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_γ-Cyclodextrin_3 | task2 | A | Pyranine | [
"Pyranine",
"Pyronin Y",
"Procaine hydrochloride",
"7-Methoxycoumarin"
] | [
2.0792,
1.6021,
1.4598,
1.6128
] | γ-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 γ-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_γ-Cyclodextrin_4 | task2 | B | 1-Adamantane acetate potassium salt | [
"4,9-diaminodiamantane",
"1-Adamantane acetate potassium salt",
"N-retinylidine-N-ethanolamine",
"1-Adamantanecarboxylic acid"
] | [
1,
3.0128,
0.4378,
2.2834
] | γ-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 γ-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_γ-Cyclodextrin_5 | task2 | A | 1-Adamantanecarboxylic acid | [
"1-Adamantanecarboxylic acid",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Procaine hydrochloride",
"Pyranine"
] | [
2.2834,
0.7782,
1.4598,
2.0792
] | γ-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 γ-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_γ-Cyclodextrin_6 | task2 | C | 1-Aminodiamantane | [
"Pyranine",
"4-aminodiamantane",
"1-Aminodiamantane",
"4,9-diaminodiamantane"
] | [
2.0792,
3.3948,
3.7817,
1
] | γ-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 γ-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_γ-Cyclodextrin_7 | task2 | C | 9-carboxytriamantane | [
"Chlorpromazine hydrochloride",
"Phenolphthalein",
"9-carboxytriamantane",
"2,3-Diazabicyclo(2.2.2)oct-2-ene"
] | [
2.5263,
3.4969,
5.7124,
0.7782
] | γ-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 γ-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_γ-Cyclodextrin_8 | task2 | B | 9-carboxytriamantane | [
"N-retinylidine-N-ethanolamine",
"9-carboxytriamantane",
"Phenolphthalein",
"Pyranine"
] | [
0.4378,
5.7124,
3.4969,
2.0792
] | γ-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 γ-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_γ-Cyclodextrin_9 | task2 | D | 1-Adamantane acetate potassium salt | [
"Oxazine 1",
"New Methylene blue",
"Pyronin Y",
"1-Adamantane acetate potassium salt"
] | [
2.1335,
1.9395,
1.6021,
3.0128
] | γ-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 γ-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_γ-Cyclodextrin_10 | task2 | B | 1-Aminodiamantane | [
"1-adamantane carboxylate",
"1-Aminodiamantane",
"Tetracaine hydrochloride",
"N-retinylidine-N-ethanolamine"
] | [
2.4281,
3.7817,
1.6618,
0.4378
] | γ-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 γ-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_γ-Cyclodextrin_11 | task2 | A | 9-carboxytriamantane | [
"9-carboxytriamantane",
"[Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium",
"Oxazine 1",
"Phenolphthalein"
] | [
5.7124,
1.4771,
2.1335,
3.4969
] | γ-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 γ-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_γ-Cyclodextrin_12 | task2 | A | Chlorpromazine hydrochloride | [
"Chlorpromazine hydrochloride",
"[Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium",
"Pyronin Y",
"Oxazine 1"
] | [
2.5263,
1.4771,
1.6021,
2.1335
] | γ-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 γ-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_γ-Cyclodextrin_13 | task2 | C | 1-diadamantylcarboxylic acid | [
"Oxazine 1",
"Pyranine",
"1-diadamantylcarboxylic acid",
"New Methylene blue"
] | [
2.1335,
2.0792,
4.1532,
1.9395
] | γ-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 γ-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_γ-Cyclodextrin_14 | task2 | C | 1-diadamantylcarboxylic acid | [
"Oxazine 1",
"Chlorpromazine hydrochloride",
"1-diadamantylcarboxylic acid",
"[Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium"
] | [
2.1335,
2.5263,
4.1532,
1.4771
] | γ-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 γ-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_γ-Cyclodextrin_15 | task2 | D | 1-diadamantylcarboxylic acid | [
"Chlorpromazine hydrochloride",
"1-Aminodiamantane",
"1-Adamantanamine",
"1-diadamantylcarboxylic acid"
] | [
2.5263,
3.7817,
1,
4.1532
] | γ-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 γ-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_γ-Cyclodextrin_16 | task2 | B | 1-diadamantylcarboxylic acid | [
"Pyronin Y",
"1-diadamantylcarboxylic acid",
"Chlorpromazine hydrochloride",
"Pyronine b"
] | [
1.6021,
4.1532,
2.5263,
2.2788
] | γ-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 γ-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_γ-Cyclodextrin_17 | task2 | A | 9-carboxytriamantane | [
"9-carboxytriamantane",
"7-Methoxycoumarin",
"Cinchocaine hydrochloride",
"Pyronin Y"
] | [
5.7124,
1.6128,
1.7284,
1.6021
] | γ-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 γ-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_γ-Cyclodextrin_18 | task2 | B | 4-aminodiamantane | [
"7-Methoxycoumarin",
"4-aminodiamantane",
"New Methylene blue",
"Oxazine 1"
] | [
1.6128,
3.3948,
1.9395,
2.1335
] | γ-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 γ-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_γ-Cyclodextrin_19 | task2 | B | Phenolphthalein | [
"Procaine hydrochloride",
"Phenolphthalein",
"N-retinylidine-N-ethanolamine",
"4-aminodiamantane"
] | [
1.4598,
3.4969,
0.4378,
3.3948
] | γ-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 γ-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_γ-Cyclodextrin_20 | task2 | A | 1-Aminodiamantane | [
"1-Aminodiamantane",
"1-Adamantanamine",
"Oxazine 1",
"Valethamate bromide"
] | [
3.7817,
1,
2.1335,
2.4014
] | γ-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 γ-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_γ-Cyclodextrin_21 | task2 | B | Chlorpromazine hydrochloride | [
"4,9-diaminodiamantane",
"Chlorpromazine hydrochloride",
"[Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium",
"Oxazine 1"
] | [
1,
2.5263,
1.4771,
2.1335
] | γ-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 γ-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_γ-Cyclodextrin_22 | task2 | B | 9-carboxytriamantane | [
"7-Methoxycoumarin",
"9-carboxytriamantane",
"Pyronine b",
"[Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium"
] | [
1.6128,
5.7124,
2.2788,
1.4771
] | γ-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 γ-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_γ-Cyclodextrin_23 | task2 | D | Phenolphthalein | [
"Pyranine",
"7-Methoxycoumarin",
"1-Adamantanamine",
"Phenolphthalein"
] | [
2.0792,
1.6128,
1,
3.4969
] | γ-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 γ-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_Cucurbit[7]uril_0 | task2 | B | Phenoxy-1,2-dioxetane | [
"Lithium ion",
"Phenoxy-1,2-dioxetane",
"[Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium",
"pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diol"
] | [
1.415,
7.2279,
7.0414,
7.1335
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. Lithium ion (SMILES: [Li+]).
B. Phenoxy... | cb7_supplement | base |
t2_Cucurbit[7]uril_1 | task2 | A | 1H-Imidazolium, 3-butyl-1-methyl-, bromide | [
"1H-Imidazolium, 3-butyl-1-methyl-, bromide",
"Lithium chloride",
"1,1'-(1,4-phenylenebis(methylene))bis(pyridin-1-ium-3-carboxylate)",
"Gly-AM Phe-Gly"
] | [
6.7993,
2.3404,
5.7482,
6.2923
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. 1H-Imidazolium, 3-butyl-1-methyl-,... | cb7_supplement | base |
t2_Cucurbit[7]uril_2 | task2 | B | Cholesterol | [
"Silver chloride",
"Cholesterol",
"Lanthanum chloride heptahydrate",
"Rhodamine methylester chloride"
] | [
3.54,
5.9101,
4.9873,
3
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. Silver chloride (SMILES: Cl[Ag]).
B. Ch... | cb7_supplement | base |
t2_Cucurbit[7]uril_3 | task2 | B | bicyclo[2.2.2]octane-1,4-diyldimethanamine | [
"Pyrrole",
"bicyclo[2.2.2]octane-1,4-diyldimethanamine",
"Lithium chloride",
"Thr-Gly-Gly-Phe-Met-NH2"
] | [
3.2304,
14.301,
2.3404,
4.3495
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. Pyrrole (SMILES: C1=CNC=C1).
B. bicyclo... | cb7_supplement | base |
t2_Cucurbit[7]uril_4 | task2 | B | 2-Adamantanone | [
"Geranylamine",
"2-Adamantanone",
"H-Phe-Met-OH",
"(2S)-2-((2S)-2-((2S)-2-(2-((3R)-2-amino-3-hydroxybutanamido)acetamido)propanamido)-3-phenylpropanamido)-4-methylpentanamide"
] | [
6.2788,
10.5911,
7.1461,
3.7475
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. Geranylamine (SMILES: CC(=CCCC(=CCN)C)C... | cb7_supplement | base |
t2_Cucurbit[7]uril_5 | task2 | C | bis(dimethylpyridinium)diarylethene (closed form) | [
"(+)-fenchone",
"Acridine Yellow G",
"bis(dimethylpyridinium)diarylethene (closed form)",
"Tryptophyl-Glycine"
] | [
7.4432,
4.4364,
7.8451,
5.7482
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. (+)-fenchone (SMILES: CC1(C2CCC(C2)(C1=... | cb7_supplement | base |
t2_Cucurbit[7]uril_6 | task2 | A | Decyltrimethylammonium bromide | [
"Decyltrimethylammonium bromide",
"Tetramethyl benzobis (imidazolium)",
"6-bromo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole",
"1,1'-bis(5-carboxypentyl)-[4,4'-bipyridine]-1,1'-diium"
] | [
6.5085,
3.8195,
6.4624,
5.301
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. Decyltrimethylammonium bromide (SMILES:... | cb7_supplement | base |
t2_Cucurbit[7]uril_7 | task2 | B | 1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]naphthalen-2-yl]methyl]imidazol-1-ium | [
"2,7-bis(2-(trimethyl-azaneyl)ethyl)pyrene-1,3,6,8(2H,7H)-tetraone",
"1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]naphthalen-2-yl]methyl]imidazol-1-ium",
"Prednisolone",
"Acridine Yellow G"
] | [
4.8681,
6.7251,
3,
4.4364
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. 2,7-bis(2-(trimethyl-azaneyl)ethyl)pyre... | cb7_supplement | base |
t2_Cucurbit[7]uril_8 | task2 | C | 1H-Imidazolium, 3-butyl-1-methyl-, bromide | [
"N,N,N-trimethylanthracen-2-aminium chloride",
"Acetone",
"1H-Imidazolium, 3-butyl-1-methyl-, bromide",
"D/L-Adrenaline"
] | [
5.6128,
2.7848,
6.7993,
4.2405
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. N,N,N-trimethylanthracen-2-aminium chlo... | cb7_supplement | base |
t2_Cucurbit[7]uril_9 | task2 | A | 6-Methoxy-1-methylquinolinium | [
"6-Methoxy-1-methylquinolinium",
"[C3mim]Br",
"Strontium chloride hexahydrate",
"Aluminum cation"
] | [
6.2996,
6.2788,
4.5499,
4.3911
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. 6-Methoxy-1-methylquinolinium (SMILES: ... | cb7_supplement | base |
t2_Cucurbit[7]uril_10 | task2 | D | bis(dimethylpyridinium)diarylethene (open form) | [
"6-methyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole",
"2NpCH2ImidMe",
"1-(3-aminopropyl)-4-4'-bipyridinium",
"bis(dimethylpyridinium)diarylethene (open form)"
] | [
6.7482,
5.4771,
6.6335,
8.8299
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. 6-methyl-1,2,3,6,7,7a-hexahydro-3a,6-ep... | cb7_supplement | base |
t2_Cucurbit[7]uril_11 | task2 | D | (Trimethylamino)methyl)ferrocene | [
"AM Phe",
"Rhodamine methylester chloride",
"Aluminum cation",
"(Trimethylamino)methyl)ferrocene"
] | [
6.3365,
3,
4.3911,
12.6075
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. AM Phe (SMILES: C1=CC(=CC=C1CC(C(=O)O)N... | cb7_supplement | base |
t2_Cucurbit[7]uril_12 | task2 | A | 1-butyl-3-methylimidazolium hexafluorophosphate | [
"1-butyl-3-methylimidazolium hexafluorophosphate",
"TMPyP4",
"L-Tyrosine",
"1-ethyl-3-methylimidazolium chloride"
] | [
6.8808,
4.9138,
4.2041,
5.2553
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. 1-butyl-3-methylimidazolium hexafluorop... | cb7_supplement | base |
t2_Cucurbit[7]uril_13 | task2 | B | 1-Adamantylazanium | [
"Cyclohexylmethanaminium",
"1-Adamantylazanium",
"Cesium cation",
"1-Adamantylammonium chloride"
] | [
11.1139,
14.2304,
2.8388,
11.0414
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. Cyclohexylmethanaminium (SMILES: C1CCC(... | cb7_supplement | base |
t2_Cucurbit[7]uril_14 | task2 | A | (+)-fenchone | [
"(+)-fenchone",
"1-methyl-3-octylimidazol-1-ium;bromide",
"Cadaverine (fully protonated form)",
"Histamine"
] | [
7.4432,
6.9191,
7.1461,
4.5051
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. (+)-fenchone (SMILES: CC1(C2CCC(C2)(C1=... | cb7_supplement | base |
t2_Cucurbit[7]uril_15 | task2 | D | Pentane-1,5-diamine | [
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Trp-met-gly",
"butane-1,4-diamine;dihydrochloride",
"Pentane-1,5-diamine"
] | [
7.1271,
5.3617,
5.8976,
8.5048
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. 2,3-Diazabicyclo(2.2.2)oct-2-ene (SMILE... | cb7_supplement | base |
t2_Cucurbit[7]uril_16 | task2 | A | 1-butyl-3-methylimidazol-3-ium;tetrafluoroborate | [
"1-butyl-3-methylimidazol-3-ium;tetrafluoroborate",
"Glycyl-phenylalanine",
"Oxaliplatin",
"Tryptophyl-Glycine"
] | [
6.8808,
3.1139,
5.3617,
5.7482
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. 1-butyl-3-methylimidazol-3-ium;tetraflu... | cb7_supplement | base |
t2_Cucurbit[7]uril_17 | task2 | B | 6-Azaniumylhexylazanium | [
"1-methyl-3-octylimidazol-1-ium;bromide",
"6-Azaniumylhexylazanium",
"Cesium cation",
"2,7-dimethyldiazapyrenium"
] | [
6.9191,
9.3222,
2.8388,
8.9705
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. 1-methyl-3-octylimidazol-1-ium;bromide ... | cb7_supplement | base |
t2_Cucurbit[7]uril_18 | task2 | A | 5-Bromo-2-adamantanone | [
"5-Bromo-2-adamantanone",
"6-(p-toluidino)-2-naphthalenesulfonic acid sodium salt",
"AM Phe",
"1,3-Dimethylimidazolium"
] | [
8.4857,
4.5302,
6.3365,
4.8751
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. 5-Bromo-2-adamantanone (SMILES: C1C2CC3... | cb7_supplement | base |
t2_Cucurbit[7]uril_19 | task2 | A | N1,N1'-(hexane-1,6-diyl)bis(ethane-1,2-diaminium) | [
"N1,N1'-(hexane-1,6-diyl)bis(ethane-1,2-diaminium)",
"Pancuronium",
"6-methyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole",
"Recombinant insulin human"
] | [
11.2304,
5.7709,
6.7482,
6.1761
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. N1,N1'-(hexane-1,6-diyl)bis(ethane-1,2-... | cb7_supplement | base |
t2_Cucurbit[7]uril_20 | task2 | B | 1-hexyl-3-methylimidazol-3-ium;bromide | [
"Thiazole orange",
"1-hexyl-3-methylimidazol-3-ium;bromide",
"Zinc cation",
"2,2,6-trimethylcyclohexan-1-one"
] | [
5.4472,
7.2788,
2.3424,
6.9489
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. Thiazole orange (SMILES: CC1=CC=C(C=C1)... | cb7_supplement | base |
t2_Cucurbit[7]uril_21 | task2 | B | 2-Adamantylamine hydrochloride | [
"Phosphoramidon",
"2-Adamantylamine hydrochloride",
"1,3-Dimethylimidazolium",
"AM Phe-Gly-Gly"
] | [
3.2826,
14,
4.8751,
9.0212
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. Phosphoramidon (SMILES: CC1C(C(C(C(O1)O... | cb7_supplement | base |
t2_Cucurbit[7]uril_22 | task2 | B | 1,1'-bis(3,5-diethoxybenzyl)-[4,4'-bipyridine]-1,1'-diium | [
"(2S)-2-amino-3-phenylpropanoic acidhydrochloride",
"1,1'-bis(3,5-diethoxybenzyl)-[4,4'-bipyridine]-1,1'-diium",
"Cholic acid",
"Aluminum cation"
] | [
5.6021,
5.9031,
3,
4.3911
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. (2S)-2-amino-3-phenylpropanoic acidhydr... | cb7_supplement | base |
t2_Cucurbit[7]uril_23 | task2 | B | 5-Bromo-2-adamantanone | [
"Thr-Gly-Ala-Phe-Met-NH2",
"5-Bromo-2-adamantanone",
"AM Phe",
"Pyrrole"
] | [
4.3173,
8.4857,
6.3365,
3.2304
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. Thr-Gly-Ala-Phe-Met-NH2 (SMILES: CSCC[C... | cb7_supplement | base |
t2_Cucurbit[7]uril_24 | task2 | A | 2-Adamantylamine hydrochloride | [
"2-Adamantylamine hydrochloride",
"1-(hydroxymethyl)-ferrocene",
"Cesium cation",
"6-bromo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole"
] | [
14,
9.4238,
2.8388,
6.4624
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. 2-Adamantylamine hydrochloride (SMILES:... | cb7_supplement | base |
t2_Cucurbit[7]uril_25 | task2 | D | (Trimethylamino)methyl)ferrocene | [
"1,1'-(1,4-phenylenebis(methylene))bis(pyridin-1-ium-3-carboxylate)",
"((S)-2-amino-3-(4-(aminomethyl)phenyl)propanoyl)-L-methionine",
"Dehydrocorydaline",
"(Trimethylamino)methyl)ferrocene"
] | [
5.7482,
8.7243,
3.3743,
12.6075
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. 1,1'-(1,4-phenylenebis(methylene))bis(p... | cb7_supplement | base |
t2_Cucurbit[7]uril_26 | task2 | A | 1-Adamantanamine | [
"1-Adamantanamine",
"1-Butanol",
"Acetonitrile",
"6-Phenylamino-naphthalene-2-sulfonic acid anion"
] | [
12.6232,
4.79,
1.0414,
2.7782
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. 1-Adamantanamine (SMILES: C1C2CC3CC1CC(... | cb7_supplement | base |
t2_Cucurbit[7]uril_27 | task2 | B | 1-butyl-3-methylimidazol-3-ium;tetrafluoroborate | [
"Magnesium cation",
"1-butyl-3-methylimidazol-3-ium;tetrafluoroborate",
"Dopamine hydrochloride",
"Zinc chloride"
] | [
1.6232,
6.8808,
5,
3.4
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. Magnesium cation (SMILES: [Mg+2]).
B. 1... | cb7_supplement | base |
t2_Cucurbit[7]uril_28 | task2 | D | N-Butyladamantan-1-aminium | [
"N,N,N-trimethylanthracen-2-aminium chloride",
"1,1'-(1,4-phenylenebis(methylene))bis(pyridin-1-ium-4-carboxylate)",
"6-methyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole",
"N-Butyladamantan-1-aminium"
] | [
5.6128,
5.8129,
6.7482,
12
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. N,N,N-trimethylanthracen-2-aminium chlo... | cb7_supplement | base |
t2_Cucurbit[7]uril_29 | task2 | B | (+)-fenchone | [
"1,1'-(3-(methoxycarbonyl)pentane-1,5-diyl)bis(pyridin-1-ium)",
"(+)-fenchone",
"Nitric acid",
"1-Hexanol"
] | [
0,
7.4432,
1.9443,
5.7756
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. 1,1'-(3-(methoxycarbonyl)pentane-1,5-di... | cb7_supplement | base |
t2_Cucurbit[7]uril_30 | task2 | B | 5-Chloro-2-adamantanone | [
"Vecuronium",
"5-Chloro-2-adamantanone",
"Albendazole",
"1-Phenyl-2-butanone"
] | [
5.6721,
9.0253,
4.8129,
3.6628
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. Vecuronium (SMILES: CC(=O)OC1CC2CCC3C(C... | cb7_supplement | base |
t2_Cucurbit[7]uril_31 | task2 | D | H-phe-leu-oh | [
"Thiazole orange",
"Strontium chloride hexahydrate",
"Cholic acid",
"H-phe-leu-oh"
] | [
5.4472,
4.5499,
3,
6.5256
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. Thiazole orange (SMILES: CC1=CC=C(C=C1)... | cb7_supplement | base |
t2_Cucurbit[7]uril_32 | task2 | C | [Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium | [
"2,2,6-trimethylcyclohexan-1-one",
"Vecuronium",
"[Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium",
"1H-Imidazolium, 3-butyl-1-methyl-, bromide"
] | [
6.9489,
5.6721,
7.0414,
6.7993
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. 2,2,6-trimethylcyclohexan-1-one (SMILES... | cb7_supplement | base |
t2_Cucurbit[7]uril_33 | task2 | C | Cetrimonium bromide | [
"(2S)-2-amino-3-phenylpropanoic acidhydrochloride",
"1-Methyl-4-(pyridin-4-yl)pyridinium",
"Cetrimonium bromide",
"Bis(3,5-dimethoxybenzyl)-4,4′-bipyridinium"
] | [
5.6021,
6.0792,
6.5818,
5.9031
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. (2S)-2-amino-3-phenylpropanoic acidhydr... | cb7_supplement | base |
t2_Cucurbit[7]uril_34 | task2 | D | 1-hexyl-3-methylimidazol-3-ium;chloride | [
"D/L-lysine",
"Pancuronium",
"(Z)‐4‐(4‐(2‐(3′,5′‐bis(trifluoromethyl)‐[1,1′‐biphenyl]‐4‐yl)‐1‐cyanovinyl)phenyl)‐1‐methylpyridin‐1‐ium chloride",
"1-hexyl-3-methylimidazol-3-ium;chloride"
] | [
2.9395,
5.7709,
6.0969,
7.301
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. D/L-lysine (SMILES: C(CCN)CC(C(=O)O)N).... | cb7_supplement | base |
t2_Cucurbit[7]uril_35 | task2 | A | Tyrosyl-Glycine | [
"Tyrosyl-Glycine",
"Glycyl-dl-Tryptophan",
"L-Tyrosine",
"Potassium chloride"
] | [
6.5563,
2.4472,
4.2041,
3.375
] | Cucurbit[7]uril | 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 Cucurbit[7]uril in aqueous solution at standard conditions?
A. Tyrosyl-Glycine (SMILES: C1=CC(=CC=C1CC... | cb7_supplement | base |
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