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_α-Cyclodextrin_18 | task2 | C | (-)-camphor | [
"8-(phenylamino)naphthalene-1-sulfonic acid",
"Sodium dicyanamide",
"(-)-camphor",
"Heptanoate"
] | [
1.301,
2.1597,
5.611,
2.9258
] | α-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 α-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_α-Cyclodextrin_19 | task2 | C | 1-Octylammonium | [
"L-Alanine",
"Cinchocaine hydrochloride",
"1-Octylammonium",
"Glycyl-l-leucine"
] | [
3.05,
2.8014,
3.3758,
2.42
] | α-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 α-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_α-Cyclodextrin_20 | task2 | C | Octanoate | [
"Sodium thiocyanate",
"trans-3-hexenoate",
"Octanoate",
"Butylamine (protonated form)"
] | [
1.1901,
2.2068,
3.389,
1.1553
] | α-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 α-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_α-Cyclodextrin_21 | task2 | C | 1-Methylhexylammonium | [
"N-methylbutan-1-aminium",
"2-methylpropanoate",
"1-Methylhexylammonium",
"trans-2-hexenoate"
] | [
1.2355,
0.8451,
2.6425,
2.4502
] | α-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 α-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_α-Cyclodextrin_22 | task2 | C | octan-2-aminium | [
"Cyclopentanol",
"Valethamate bromide",
"octan-2-aminium",
"Heptanoate"
] | [
1.5611,
1.8998,
3.0531,
2.9258
] | α-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 α-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_α-Cyclodextrin_23 | task2 | D | L-Phenylalanine | [
"trans-3-hexenoate",
"Sodium perrhenate",
"Sodium cyanoborohydride",
"L-Phenylalanine"
] | [
2.2068,
1.7519,
2.0594,
2.4099
] | α-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 α-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_α-Cyclodextrin_24 | task2 | B | Pentanoate | [
"(+/-)-2-methylbutanoate",
"Pentanoate",
"Sodium hexafluorophosphate",
"Butanoate"
] | [
1.3711,
1.9025,
1.358,
1.0969
] | α-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 α-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_α-Cyclodextrin_25 | task2 | A | Octanoate | [
"Octanoate",
"1-Methylhexylammonium",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Tetracaine hydrochloride"
] | [
3.389,
2.6425,
1.699,
2.4014
] | α-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 α-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_α-Cyclodextrin_26 | task2 | A | Auramine O | [
"Auramine O",
"4-(dimethylamino)benzonitrile",
"N-methylbutan-1-aminium",
"L-Phenylalanine"
] | [
3.699,
2.716,
1.2355,
2.4099
] | α-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 α-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_α-Cyclodextrin_27 | task2 | D | Hexanoate | [
"Sodium perrhenate",
"(+/-)-2-methylbutanoate",
"Procaine hydrochloride",
"Hexanoate"
] | [
1.7519,
1.3711,
1.5933,
2.4771
] | α-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 α-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_α-Cyclodextrin_28 | task2 | D | octan-2-aminium | [
"Cyclooctanol",
"Sodium dicyanamide",
"Pentylamine (protonated form)",
"octan-2-aminium"
] | [
2.3651,
2.1597,
1.9943,
3.0531
] | α-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 α-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_α-Cyclodextrin_29 | task2 | B | 11-aminoundecanoic acid | [
"8-aminooctanoic acid",
"11-aminoundecanoic acid",
"1-adamantane carboxylate",
"octan-2-aminium"
] | [
2.99,
3.1599,
-3.5436,
3.0531
] | α-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 α-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_α-Cyclodextrin_30 | task2 | D | 1-Methylhexylammonium | [
"Sodium thiocyanate",
"trans-3-hexenoate",
"L-Phenylalanine",
"1-Methylhexylammonium"
] | [
1.1901,
2.2068,
2.4099,
2.6425
] | α-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 α-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_α-Cyclodextrin_31 | task2 | A | Cinchocaine hydrochloride | [
"Cinchocaine hydrochloride",
"Valethamate bromide",
"2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate",
"Butylamine (protonated form)"
] | [
2.8014,
1.8998,
2.4472,
1.1553
] | α-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 α-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_α-Cyclodextrin_32 | task2 | A | 8-aminooctanoic acid | [
"8-aminooctanoic acid",
"Hexylamine (protonated form)",
"Glycyl-l-leucine",
"Berberine chloride"
] | [
2.99,
2.5899,
2.42,
1.7782
] | α-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 α-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_α-Cyclodextrin_33 | task2 | B | L-Alanine | [
"1-Heptylamine (fully protonated)",
"L-Alanine",
"Sodium trifluoromethanesulfonate",
"trans-3-hexenoate"
] | [
3.0334,
3.05,
0.7782,
2.2068
] | α-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 α-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_α-Cyclodextrin_34 | task2 | A | 11-aminoundecanoic acid | [
"11-aminoundecanoic acid",
"Sodium perrhenate",
"octan-2-aminium",
"2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate"
] | [
3.1599,
1.7519,
3.0531,
2.4472
] | α-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 α-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_α-Cyclodextrin_35 | task2 | D | 6-aminohexanoic acid | [
"Sodium trifluoromethanesulfonate",
"Sodium dicyanamide",
"Sodium hexafluorophosphate",
"6-aminohexanoic acid"
] | [
0.7782,
2.1597,
1.358,
3.1801
] | α-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 α-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_α-Cyclodextrin_36 | task2 | A | 4-(diethylamino)benzonitrile | [
"4-(diethylamino)benzonitrile",
"Hexanoate",
"Cyclooctanol",
"1-adamantane carboxylate"
] | [
2.4914,
2.4771,
2.3651,
-3.5436
] | α-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 α-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_α-Cyclodextrin_37 | task2 | B | Octanoate | [
"6-aminohexanoic acid",
"Octanoate",
"Cinchocaine hydrochloride",
"1-methylbutylammonium"
] | [
3.1801,
3.389,
2.8014,
1.2923
] | α-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 α-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_α-Cyclodextrin_38 | task2 | B | 1-Octylammonium | [
"1-Methylhexylammonium",
"1-Octylammonium",
"octan-2-aminium",
"Sodium hexafluorophosphate"
] | [
2.6425,
3.3758,
3.0531,
1.358
] | α-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 α-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_α-Cyclodextrin_39 | task2 | B | L-Alanine | [
"Glycyl-l-valine",
"L-Alanine",
"L-Phenylalanine",
"1-methylbutylammonium"
] | [
2.4499,
3.05,
2.4099,
1.2923
] | α-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 α-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_α-Cyclodextrin_40 | task2 | C | 8-aminooctanoic acid | [
"Procaine hydrochloride",
"L-Phenylalanine",
"8-aminooctanoic acid",
"Cinchocaine hydrochloride"
] | [
1.5933,
2.4099,
2.99,
2.8014
] | α-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 α-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_α-Cyclodextrin_41 | task2 | C | Auramine O | [
"L-Phenylalanine",
"2-methylpropanoate",
"Auramine O",
"N-Methylhexylammonium"
] | [
2.4099,
0.8451,
3.699,
2.5775
] | α-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 α-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_α-Cyclodextrin_42 | task2 | D | Glycyl-l-leucine | [
"trans-3-hexenoate",
"Butylamine (protonated form)",
"Sodium dicyanamide",
"Glycyl-l-leucine"
] | [
2.2068,
1.1553,
2.1597,
2.42
] | α-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 α-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_α-Cyclodextrin_43 | task2 | A | Octanoate | [
"Octanoate",
"2-methylpropanoate",
"1-Methylhexylammonium",
"8-aminooctanoic acid"
] | [
3.389,
0.8451,
2.6425,
2.99
] | α-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 α-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_α-Cyclodextrin_44 | task2 | C | trans-2-hexenoate | [
"1-methylbutylammonium",
"Sodium perchlorate",
"trans-2-hexenoate",
"Procaine hydrochloride"
] | [
1.2923,
1.1324,
2.4502,
1.5933
] | α-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 α-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_α-Cyclodextrin_45 | task2 | D | 11-aminoundecanoic acid | [
"Thionin",
"Chlorpromazine hydrochloride",
"6-heptenoate",
"11-aminoundecanoic acid"
] | [
2.8241,
2.1111,
2.6365,
3.1599
] | α-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 α-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_α-Cyclodextrin_46 | task2 | A | (-)-camphor | [
"(-)-camphor",
"1-Octylammonium",
"Glycyl-l-leucine",
"8-aminooctanoic acid"
] | [
5.611,
3.3758,
2.42,
2.99
] | α-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 α-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_α-Cyclodextrin_47 | task2 | A | 6-heptenoate | [
"6-heptenoate",
"Hexylamine (protonated form)",
"Sodium thiocyanate",
"(+/-)-2-methylbutanoate"
] | [
2.6365,
2.5899,
1.1901,
1.3711
] | α-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 α-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_α-Cyclodextrin_48 | task2 | B | Cinchocaine hydrochloride | [
"Sodium hexafluorophosphate",
"Cinchocaine hydrochloride",
"L-Phenylalanine",
"Sodium thiocyanate"
] | [
1.358,
2.8014,
2.4099,
1.1901
] | α-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 α-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_α-Cyclodextrin_49 | task2 | D | 6-heptenoate | [
"2-methylpropanoate",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Procaine hydrochloride",
"6-heptenoate"
] | [
0.8451,
1.699,
1.5933,
2.6365
] | α-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 α-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_α-Cyclodextrin_50 | task2 | C | octan-2-aminium | [
"4-(dimethylamino)benzonitrile",
"Hexanoate",
"octan-2-aminium",
"6-Phenylamino-naphthalene-2-sulfonic acid anion"
] | [
2.716,
2.4771,
3.0531,
1.301
] | α-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 α-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_α-Cyclodextrin_51 | task2 | B | 6-aminohexanoic acid | [
"Sodium cyanoborohydride",
"6-aminohexanoic acid",
"2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate",
"Cycloheptanol"
] | [
2.0594,
3.1801,
2.4472,
1.8325
] | α-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 α-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_α-Cyclodextrin_52 | task2 | C | 1-Heptylamine (fully protonated) | [
"N-methylbutan-1-aminium",
"trans-3-hexenoate",
"1-Heptylamine (fully protonated)",
"8-aminooctanoic acid"
] | [
1.2355,
2.2068,
3.0334,
2.99
] | α-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 α-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_α-Cyclodextrin_53 | task2 | D | 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate | [
"Butylamine (protonated form)",
"8-(phenylamino)naphthalene-1-sulfonic acid",
"1-methylbutylammonium",
"2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate"
] | [
1.1553,
1.301,
1.2923,
2.4472
] | α-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 α-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_α-Cyclodextrin_54 | task2 | C | Glycine | [
"Berberine chloride",
"Sodium perchlorate",
"Glycine",
"Sodium hexafluorophosphate"
] | [
1.7782,
1.1324,
2.75,
1.358
] | α-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 α-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_α-Cyclodextrin_55 | task2 | B | Thionin | [
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Thionin",
"4-(dimethylamino)benzonitrile",
"1-methylbutylammonium"
] | [
1.699,
2.8241,
2.716,
1.2923
] | α-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 α-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_α-Cyclodextrin_56 | task2 | D | N-Methylhexylammonium | [
"Berberine chloride",
"Sodium cyanoborohydride",
"Cyclopentanol",
"N-Methylhexylammonium"
] | [
1.7782,
2.0594,
1.5611,
2.5775
] | α-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 α-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_α-Cyclodextrin_57 | task2 | A | 4-(dimethylamino)benzonitrile | [
"4-(dimethylamino)benzonitrile",
"1-adamantane carboxylate",
"trans-2-hexenoate",
"2,3-Diazabicyclo(2.2.2)oct-2-ene"
] | [
2.716,
-3.5436,
2.4502,
1.699
] | α-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 α-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_0 | task2 | B | 2-amino-9-hydroxyfluorene | [
"glycyl-L-phenylalanine",
"2-amino-9-hydroxyfluorene",
"D-Phenylalanine methyl ester HCl",
"N-Carboxybenzyl-Glycine"
] | [
1.7324,
3.7292,
1.0426,
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_1 | task2 | B | Cyclooctanol | [
"(1R,2S)-2-Amino-1,2-diphenylethanol",
"Cyclooctanol",
"(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid",
"(S)-(+)-alpha-Methoxyphenylacetic acid"
] | [
1.7344,
3.6439,
2.0969,
0.9986
] | 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_2 | task2 | C | N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine | [
"Ferroceneacroboxylate",
"(2R)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid",
"N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine",
"4-(dimethylamino)benzonitrile"
] | [
3.0867,
1.6721,
3.9294,
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_3 | task2 | B | N-methyl-N0-adamantane carbomethyl-4,40-bipyridinium | [
"New Methylene blue",
"N-methyl-N0-adamantane carbomethyl-4,40-bipyridinium",
"Sodium taurocholate",
"(S)-(+)-Mandelic acid"
] | [
3.2041,
4.5105,
3.3604,
0.9461
] | 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_4 | task2 | B | Valethamate bromide | [
"(S)-3-Bromo-2-methyl-propionic acid methyl ester",
"Valethamate bromide",
"Pyronin Y",
"4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)benzenesulfonate"
] | [
2.4352,
4.2021,
2.6021,
3.7394
] | 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_5 | task2 | D | Phenolphthalein | [
"Meldola’s blue",
"(R)-10-Camphorsulfonic acid",
"(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid",
"Phenolphthalein"
] | [
3.0095,
2.7513,
2.243,
4.6767
] | 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_6 | task2 | B | 1-Adamantanamine | [
"Cinchocaine hydrochloride",
"1-Adamantanamine",
"(2R)-2-(phenylmethoxycarbonylamino)propanoic acid",
"7-Methoxycoumarin"
] | [
2.7929,
3.9867,
2.1732,
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_7 | task2 | B | Rhodamine B | [
"6-Phenylamino-naphthalene-2-sulfonic acid anion",
"Rhodamine B",
"4-hydroxyazobenzene",
"(S)-(+)-1-Cyclohexylethylamine"
] | [
3.1303,
3.7298,
2.5302,
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_8 | task2 | A | Phenolphthalein | [
"Phenolphthalein",
"O-Benzyl-D-Serine",
"(S)-Mandelic acid methyl ester",
"(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid"
] | [
4.6767,
1.8513,
1.8384,
2.1492
] | 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_9 | task2 | C | Chlorpromazine hydrochloride | [
"4-(4-hydroxyphenyl)phenol",
"O-Benzyl-D-Serine",
"Chlorpromazine hydrochloride",
"2-Propanol"
] | [
3.5153,
1.8513,
4.0006,
2.27
] | 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_10 | task2 | A | 4-(4-hydroxyphenyl)phenol | [
"4-(4-hydroxyphenyl)phenol",
"(2S)-2-(phenylmethoxycarbonylamino)propanoic acid",
"Auramine O",
"N-Acetyl-D-phenylalanine"
] | [
3.5153,
2.1673,
1.9,
1.7832
] | 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_11 | task2 | C | Sodium deoxycholate | [
"7-Methoxycoumarin",
"O-Benzyl-L-Serine",
"Sodium deoxycholate",
"Cyclooctanol"
] | [
2.1072,
1.8388,
3.6852,
3.6439
] | 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_12 | task2 | B | 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol | [
"4,9-diaminodiamantane",
"4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol",
"Palmatine",
"(2R)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid"
] | [
2.4358,
4.247,
2.7987,
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_13 | task2 | D | Meldola’s blue | [
"Palmatine",
"Cis-2-methylcyclohexanol",
"(R)-(-)-3-Bromo-2-methyl-1-propanol",
"Meldola’s blue"
] | [
2.7987,
2.9917,
2.1523,
3.0095
] | 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_14 | task2 | C | Phenoxathiine-3-carboxylic acid | [
"Sodium taurocholate",
"(2S,3S)-2-(Benzyloxy)butane-1,3,4-triol",
"Phenoxathiine-3-carboxylic acid",
"(1R)-(+)-Camphanic acid"
] | [
3.3604,
1.9294,
3.5274,
2.2504
] | 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_15 | task2 | A | Cyclohexaneacetic acid | [
"Cyclohexaneacetic acid",
"glycyl-L-phenylalanine",
"4-Hydroxy-7-methoxycoumarin",
"(R)-2-Cyclohexyl-2-hydroxyacetic acid"
] | [
3.1038,
1.7324,
1.9085,
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_16 | task2 | C | 2-aminofluorene | [
"Berberine chloride",
"1-Octylammonium",
"2-aminofluorene",
"(1R)-(+)-Camphanic acid"
] | [
2.0715,
2.6232,
3.1492,
2.2504
] | 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_17 | task2 | C | Cholic acid, monosodium salt | [
"1-methylcyclohexanol",
"(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid",
"Cholic acid, monosodium salt",
"(S)-2-Phenylbutanoic acid"
] | [
3.0607,
2.1492,
3.6094,
1.9777
] | 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_18 | task2 | A | 2-(benzyloxy)acetaldehyde | [
"2-(benzyloxy)acetaldehyde",
"(S)-(+)-alpha-Methoxyphenylacetic acid",
"(2S,3S)-2-(Benzyloxy)butane-1,3,4-triol",
"N-Carboxybenzyl-L-Serine"
] | [
2.3424,
0.9986,
1.9294,
2.0374
] | 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_19 | task2 | C | (S)-Hexahydromandelic acid | [
"(R)-(-)-1-Phenyl-1,2-ethanediol",
"Neutral red hydrochloride",
"(S)-Hexahydromandelic acid",
"Ethanol"
] | [
1.7924,
2.7289,
2.7803,
1.93
] | 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_20 | task2 | A | 4-(4-hydroxyphenyl)phenol | [
"4-(4-hydroxyphenyl)phenol",
"Methylene Blue",
"2-aminofluorene",
"Palmatine"
] | [
3.5153,
2.6128,
3.1492,
2.7987
] | 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_21 | task2 | D | 1-(hydroxymethyl)-ferrocene | [
"N-Carboxybenzyl-Glycine",
"(R)-10-Camphorsulfonic acid",
"L-Phenylalanine methyl ester hydrochloride",
"1-(hydroxymethyl)-ferrocene"
] | [
2.1959,
2.7513,
1.0792,
3.9874
] | 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_22 | task2 | A | 1-Octylammonium | [
"1-Octylammonium",
"(S)-2-Phenylbutanoic acid",
"(1R)-(+)-Camphanic acid",
"1-Methylhexylammonium"
] | [
2.6232,
1.9777,
2.2504,
1.8808
] | 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_23 | task2 | A | 1-(hydroxymethyl)-ferrocene | [
"1-(hydroxymethyl)-ferrocene",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"1-Adamantanamine",
"4-hydroxyazobenzene"
] | [
3.9874,
2.992,
3.9867,
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_24 | task2 | C | Cholic acid, monosodium salt | [
"3-Phenylpropanoic acid",
"1-Octylammonium",
"Cholic acid, monosodium salt",
"Acridine red"
] | [
2.2095,
2.6232,
3.6094,
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_25 | task2 | C | 4-diadamantylcarboxylic acid | [
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"O-Benzyl-D-Serine",
"4-diadamantylcarboxylic acid",
"(R)-(-)-3-Bromo-2-methyl-1-propanol"
] | [
2.992,
1.8513,
4.7007,
2.1523
] | 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_26 | task2 | A | Sodium glycocholate | [
"Sodium glycocholate",
"Cycloheptanol",
"(R)-(-)-alpha-Methoxyphenylacetic acid",
"Tert-butanol"
] | [
3.3791,
3.3418,
1.0338,
2.26
] | 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_27 | task2 | A | 1-Adamantane acetate potassium salt | [
"1-Adamantane acetate potassium salt",
"trans-4-methylcyclohexanol",
"Chlorpromazine hydrochloride",
"(2S,3S)-2-(Benzyloxy)butane-1,3,4-triol"
] | [
5.0294,
3.3284,
4.0006,
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_28 | task2 | D | (1S,2D,5S)-(-)-2-Hydroxy-3-pinanone | [
"(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid",
"4-propan-2-ylphenol",
"trans-4-methylcyclohexanol",
"(1S,2D,5S)-(-)-2-Hydroxy-3-pinanone"
] | [
2.243,
3.1722,
3.3284,
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_29 | task2 | B | Rhodamine B | [
"(R)-(+)-3-Bromoisobutyric acid methyl ester",
"Rhodamine B",
"(S)-(+)-1-Cyclohexylethylamine",
"Toluidine Blue O"
] | [
2.4176,
3.7298,
2.5159,
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_30 | task2 | A | Cycloheptanol | [
"Cycloheptanol",
"O-Benzyl-L-Serine",
"3-Phenylpropanoic acid",
"(S)-(+)-3-Bromo-2-methyl-1-propanol"
] | [
3.3418,
1.8388,
2.2095,
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_31 | 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",
"(s)-3-phenylbutyric acid",
"Pyrene",
"Ferroceneacroboxylate"
] | [
4.247,
2.6335,
3.3424,
3.0867
] | 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_32 | task2 | C | Brilliant cresyl blue | [
"(S)-(+)-Mandelic acid",
"Cyclobutanol",
"Brilliant cresyl blue",
"(R)-(-)-3-Bromo-2-methyl-1-propanol"
] | [
0.9461,
1.1461,
2.7135,
2.1523
] | 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_33 | task2 | D | 1-(Phenoxathiin-3-yl)ethan-1-one | [
"1-Butanol",
"2-(benzyloxy)acetaldehyde",
"4-ami-noazobenzene",
"1-(Phenoxathiin-3-yl)ethan-1-one"
] | [
2,
2.3424,
2.6637,
3.8881
] | 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_34 | task2 | C | pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diol | [
"Acridine Orange hydrochloride",
"(1S,2S)-trans-1,2-Cyclohexanediol",
"pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diol",
"(1S,2R)-(+)-2-Amino-1,2-diphenylethanol"
] | [
3.0792,
1.9345,
5.0338,
1.6628
] | 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_35 | task2 | B | Palmatine | [
"Cinchocaine hydrochloride",
"Palmatine",
"L-Phenylalanine methyl ester hydrochloride",
"(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid"
] | [
2.7929,
2.7987,
1.0792,
2.1492
] | 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_36 | task2 | C | Bisphenol A | [
"1-Adamantanol",
"(R)-(-)-Benzyl glycidyl ether",
"Bisphenol A",
"3-Phenylbutanoic acid"
] | [
4.6791,
2.3692,
4.901,
2.618
] | 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_37 | task2 | C | (R)-3-Bromo-8-camphorsulfonic acid | [
"(1S,2R)-(+)-2-Amino-1,2-diphenylethanol",
"(S)-10-Camphorsulfonic acid",
"(R)-3-Bromo-8-camphorsulfonic acid",
"1-adamantyltrimethylammonium"
] | [
1.6628,
2.6893,
3.5752,
3.3255
] | 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_38 | task2 | D | 4-diadamantylcarboxylic acid | [
"Serotonin",
"Cis-2-methylcyclohexanol",
"Safranine T",
"4-diadamantylcarboxylic acid"
] | [
1.7259,
2.9917,
2.2041,
4.7007
] | 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_39 | task2 | D | Phenoxathiine-3-carbaldehyde | [
"Berberine chloride",
"(2R)-2-(phenylmethoxycarbonylamino)propanoic acid",
"6-Propionyl-2-(dimethy-lamino)-napthalene",
"Phenoxathiine-3-carbaldehyde"
] | [
2.0715,
2.1732,
2.9356,
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_40 | task2 | C | 4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)benzenesulfonate | [
"Oxazine 1",
"cis-4-methylcyclohexanol",
"4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)benzenesulfonate",
"L-phenylalanine amide"
] | [
3.0492,
3.1649,
3.7394,
2.0374
] | 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_41 | task2 | B | N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine | [
"Serotonin",
"N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine",
"3-methylphenylacetate",
"(1R,2R,5R)-2-Hydroxy-3-pinanone"
] | [
1.7259,
3.9138,
1.0755,
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_β-Cyclodextrin_42 | task2 | A | 2-amino-9-hydroxyfluorene | [
"2-amino-9-hydroxyfluorene",
"1-Hexylammonium",
"Cycloheptanol",
"((4S,5S)-2-phenyl-1,3-dioxolane-4,5-diyl)dimethanol"
] | [
3.7292,
1.822,
3.3418,
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_43 | task2 | A | 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate | [
"2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate",
"Meldola’s blue",
"(S)-10-Camphorsulfonic acid",
"(1R,2S)-2-Amino-1,2-diphenylethanol"
] | [
4.9777,
3.0095,
2.6893,
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_44 | task2 | D | 1-(Phenoxathiin-3-yl)ethan-1-one | [
"trans-4-methylcyclohexanol",
"Ethanol",
"(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid",
"1-(Phenoxathiin-3-yl)ethan-1-one"
] | [
3.3284,
1.93,
2.1492,
3.8881
] | 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_45 | task2 | D | Sodium deoxycholate | [
"N-retinylidine-N-ethanolamine",
"Acridine Orange hydrochloride",
"Oxazine 1",
"Sodium deoxycholate"
] | [
2.3979,
3.0792,
3.0492,
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_46 | task2 | B | Bisphenol A | [
"(S)-(+)-3-Bromo-2-methyl-1-propanol",
"Bisphenol A",
"3-methylphenylacetate",
"1-adamantyltrimethylammonium"
] | [
2.1461,
4.901,
1.0755,
3.3255
] | 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_47 | task2 | B | Pyrene | [
"(S)-Hexahydromandelic acid",
"Pyrene",
"1-Octylammonium",
"(1R,2S)-2-Amino-1,2-diphenylethanol"
] | [
2.7803,
3.3424,
2.6232,
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_48 | task2 | A | Sodium glycocholate | [
"Sodium glycocholate",
"Benzoate",
"L-phenylalanine amide",
"(S)-Hexahydromandelic acid"
] | [
3.3791,
1.2014,
2.0374,
2.7803
] | 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_49 | task2 | C | (1R,E)-(+)-Camphorquinone 3-oxime | [
"trans-4-methylcyclohexanol",
"1-Methylhexylammonium",
"(1R,E)-(+)-Camphorquinone 3-oxime",
"Acridine Orange hydrochloride"
] | [
3.3284,
1.8808,
3.4029,
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_50 | task2 | A | Valethamate bromide | [
"Valethamate bromide",
"Acridine red",
"(1S,2D,5S)-(-)-2-Hydroxy-3-pinanone",
"4-methylphenylacetate"
] | [
4.2021,
3.42,
3.3636,
1.6064
] | 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_51 | task2 | B | 1-Adamantanamine | [
"Pyronine b",
"1-Adamantanamine",
"N-(tert-Butoxycarbonyl)-D-serine",
"4-Phenylbutanoate"
] | [
3.3222,
3.9867,
2.4857,
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_52 | task2 | A | 2,3-Diazabicyclo(2.2.2)oct-2-ene | [
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"N-Boc-L-serine",
"N-Carboxybenzyl-L-Serine",
"Cis-2-methylcyclohexanol"
] | [
2.992,
2.4548,
2.0374,
2.9917
] | 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_53 | task2 | D | 1-Adamantanecarboxylic acid | [
"(2R)-2-(phenylmethoxycarbonylamino)propanoic acid",
"(S)-(+)-Benzyl glycidyl ether",
"(S)-(-)-3-Phenyllactic acid",
"1-Adamantanecarboxylic acid"
] | [
2.1732,
2.3579,
1.9191,
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_54 | task2 | C | 1-Adamantanecarboxylic acid | [
"(S)-3-Bromo-2-methyl-propionic acid methyl ester",
"glycyl-L-phenylalanine",
"1-Adamantanecarboxylic acid",
"(R)-10-Camphorsulfonic acid"
] | [
2.4352,
1.7324,
4.4409,
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_55 | task2 | A | Acridine red | [
"Acridine red",
"N-Acetyl-D-Tryptophan",
"(S)-2-Phenylbutanoic acid",
"Safranine T"
] | [
3.42,
1.1038,
1.9777,
2.2041
] | 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_56 | task2 | A | 3-Phenylbutanoic acid | [
"3-Phenylbutanoic acid",
"4-methylphenylacetate",
"N-Acetyl-D-phenylalanine",
"(S)-(+)-alpha-Methoxyphenylacetic acid"
] | [
2.618,
1.6064,
1.7832,
0.9986
] | 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_57 | task2 | A | 1-diadamantylcarboxylic acid | [
"1-diadamantylcarboxylic acid",
"N-Acetyl-L-tyrosine",
"4-diadamantylcarboxylic acid",
"8-(phenylamino)naphthalene-1-sulfonic acid"
] | [
5.6046,
2.1139,
4.7007,
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_58 | task2 | A | Phenoxathiine-3-carboxylic acid | [
"Phenoxathiine-3-carboxylic acid",
"7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione",
"4-(diethylamino)benzonitrile",
"Cycloheptanol"
] | [
3.5274,
2.985,
3.4314,
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_59 | task2 | A | Rhodamine B | [
"Rhodamine B",
"3-methylphenylacetate",
"(R)-(-)-1-Cyclohexylethylamine",
"(S)-(+)-1-Cyclohexylethylamine"
] | [
3.7298,
1.0755,
2.5172,
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 |
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