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_p-Sulfonatocalix[4]arene_102 | task2 | C | Ac-AARKme3SAPY-NH2 | [
"N6-Dimethyllysine",
"D/L-Proline",
"Ac-AARKme3SAPY-NH2",
"2,4-diaminobutanoate (protonated form)"
] | [
3.9074,
3.1045,
5.2672,
1.95
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_103 | task2 | C | Baicalin | [
"Glycylglycine",
"H-TARKSTGY-NH2",
"Baicalin",
"Piperazine"
] | [
2.99,
3.9956,
4.214,
2.9829
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_104 | task2 | A | 1-Heptylamine (fully protonated) | [
"1-Heptylamine (fully protonated)",
"L-Phenylalanine",
"1-Butanol",
"4-[(E)-2-(3,10a-dihydropyren-1-yl)vinyl]-1-methyl-pyridine"
] | [
3.39,
3.14,
1.58,
2.84
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_105 | task2 | A | Lanthanum(III) nitrate hexahydrate | [
"Lanthanum(III) nitrate hexahydrate",
"L-Leucine",
"gamma-Aminobutanoate (protonated form)",
"D/L-histidine"
] | [
4.2304,
3.08,
1.36,
2.7007
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_106 | task2 | A | 1,4-Diazepane | [
"1,4-Diazepane",
"Trimethylamine N-oxide",
"Arginylarginine",
"L-Threonine"
] | [
4.0016,
1.8162,
3.8865,
3.19
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_107 | task2 | C | methyl viologen diiodide | [
"N6-Acetyllysine",
"butylamine (protonated form)",
"methyl viologen diiodide",
"H-GGVK(me3)KPHY-NH2"
] | [
1.0799,
4.0086,
5.9666,
5.0414
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_108 | task2 | A | glycyl-L-phenylalanine | [
"glycyl-L-phenylalanine",
"D/L-phenylalanine",
"Glycylglycine",
"1-phenyl-2,3-diazabicyclo[2.2.2]oct-2-ene"
] | [
3.23,
2.9133,
2.99,
2.5441
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_109 | task2 | A | N,N′-bis(propylenetrimethylammonium)-3,4,9,10-perylene bisimide | [
"N,N′-bis(propylenetrimethylammonium)-3,4,9,10-perylene bisimide",
"6,7-diazabicyclo(3.2.2)non-6-ene",
"H-GGVKKPHY-NH2",
"glycyl-L-phenylalanine"
] | [
6.2553,
2.9345,
3.8927,
3.23
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_110 | task2 | C | Diquat | [
"Rubidium chloride",
"6-aminohexanoate",
"Diquat",
"Samarium(III) chloride"
] | [
2.4031,
1.1801,
7.6335,
3.82
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_111 | task2 | B | Choline | [
"Diisopropyl methylphosphonate",
"Choline",
"N6-Dimethyllysine",
"Glycyl-l-alanine"
] | [
1.5536,
4.873,
3.9074,
3.21
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_112 | task2 | B | H-GGVKKPHY-NH2 | [
"Piperazine",
"H-GGVKKPHY-NH2",
"lysyllysine",
"Rhodamine B"
] | [
2.9829,
3.8927,
3.5798,
3.0218
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_113 | task2 | D | Diquat | [
"Diethyl methylphosphonate",
"Butyl Rhodamine B",
"Baicalin",
"Diquat"
] | [
1.5232,
3.3483,
4.214,
7.6335
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_114 | task2 | B | Ac-AARKme3SAPY-NH2 | [
"Magnesium chloride",
"Ac-AARKme3SAPY-NH2",
"Sodium cation",
"Guanidinium"
] | [
3.4399,
5.2672,
2.3455,
2.4
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_115 | task2 | B | methyl viologen diiodide | [
"D/L-Tryptophan",
"methyl viologen diiodide",
"D/L-histidine",
"protonated trans-Merocyanine"
] | [
2.42,
5.9666,
2.7007,
4.3979
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_116 | task2 | A | N6-Methyllysine | [
"N6-Methyllysine",
"L-Lysine",
"Sodium cation",
"2,4-diaminobutanoate (protonated form)"
] | [
3.3987,
2.9353,
2.3455,
1.95
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_117 | task2 | B | H-ARTKQTARK(me3)STGY-NH2 | [
"D/L-histidine",
"H-ARTKQTARK(me3)STGY-NH2",
"lysyllysine",
"Norfloxacin"
] | [
2.7007,
6.7709,
3.5798,
4.2763
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_118 | task2 | B | Gadolinium(III) chloride | [
"2,6-diaminohexanoate (protonated form)",
"Gadolinium(III) chloride",
"Neutral red hydrochloride",
"L-Arginine"
] | [
2.87,
3.94,
3.7853,
3.2698
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_119 | task2 | C | Lysylarginine | [
"Methylguanidinium",
"1-propanol",
"Lysylarginine",
"Silver chloride"
] | [
3.04,
1.34,
3.5682,
2.433
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_120 | task2 | A | Ac-RKme3ST-NH2 | [
"Ac-RKme3ST-NH2",
"p-Nitrobenzyltrimethylammonium",
"Ethylammonium",
"6-aminohexanoate"
] | [
4.9925,
4.1987,
3.58,
1.1801
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_121 | task2 | B | H-ARTKQTAY-NH2 | [
"L-Tryptophan",
"H-ARTKQTAY-NH2",
"Lysylarginine",
"Gadolinium(III) chloride"
] | [
3.13,
4.3424,
3.5682,
3.94
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_122 | task2 | D | H-TARK(me3)STGY-NH2 | [
"Methylarginine",
"Hexylamine (protonated form)",
"D/L-Aspartic acid",
"H-TARK(me3)STGY-NH2"
] | [
2.8808,
3.6,
2.7093,
5.1461
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_123 | task2 | D | H-ARTK(me3)QTARKSTGY-NH2 | [
"1,5-diazacyclooctane",
"Choline",
"Europium(III) chloride",
"H-ARTK(me3)QTARKSTGY-NH2"
] | [
4.0806,
4.873,
3.83,
7.8261
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_124 | task2 | D | Succinylcholine | [
"N6-Dimethyllysine",
"Ytterbium(III) chloride",
"Baicalin",
"Succinylcholine"
] | [
3.9074,
3.81,
4.214,
6.0294
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_125 | task2 | A | 2,4,6-triphenylpyrylium tetrafluoroborate | [
"2,4,6-triphenylpyrylium tetrafluoroborate",
"arginyllysine",
"Safranine T",
"L-Leucylglycine"
] | [
4.3282,
3.6335,
4.2894,
3.23
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_126 | task2 | D | Choline | [
"Benzyltrimethylammonium chloride",
"2,4,6-triphenylpyrylium tetrafluoroborate",
"Methylguanidinium",
"Choline"
] | [
4.0396,
4.3282,
3.04,
4.873
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_127 | task2 | A | Arginylarginine | [
"Arginylarginine",
"L-Leucine",
"Lysylarginine",
"D/L-Alanine"
] | [
3.8865,
3.08,
3.5682,
1.8921
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_128 | task2 | B | p-Nitrobenzyltrimethylammonium | [
"2,3-diazabicyclo[3.2.2]non-2-ene",
"p-Nitrobenzyltrimethylammonium",
"Tetrabutylammonium iodide",
"Sodium cation"
] | [
2.9777,
4.1987,
4.1048,
2.3455
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_129 | task2 | A | Diquat | [
"Diquat",
"N6-Dimethyllysine",
"2,3-diazabicyclo[3.2.2]non-2-ene",
"Methylene Blue"
] | [
7.6335,
3.9074,
2.9777,
5.1492
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_130 | task2 | A | p-Nitrobenzyltrimethylammonium | [
"p-Nitrobenzyltrimethylammonium",
"Piperazine",
"Tetrabutylammonium iodide",
"D/L-Proline"
] | [
4.1987,
2.9829,
4.1048,
3.1045
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_131 | task2 | B | H-GGVK(me3)KPHY-NH2 | [
"Ethylammonium",
"H-GGVK(me3)KPHY-NH2",
"H-GGVKKPHY-NH2",
"Silver chloride"
] | [
3.58,
5.0414,
3.8927,
2.433
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_132 | task2 | D | Tetramethylammonium | [
"Guanidinium",
"Pentylamine (protonated form)",
"Pinacolyl methylphosphonic acid",
"Tetramethylammonium"
] | [
2.4,
3.81,
1.301,
4.6498
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_133 | task2 | A | N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane | [
"N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane",
"Lithium ion",
"Rhodamine B",
"Arginyl-arginyl-arginine"
] | [
7.1761,
2.143,
3.0218,
4.5441
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_134 | task2 | A | p-Nitrobenzyltrimethylammonium | [
"p-Nitrobenzyltrimethylammonium",
"Glycyl-l-alanine",
"Pentylamine (protonated form)",
"Samarium(III) chloride"
] | [
4.1987,
3.21,
3.81,
3.82
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_135 | task2 | C | Ac-AARKme3SAPY-NH2 | [
"H-GGVKKPHY-NH2",
"[Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium",
"Ac-AARKme3SAPY-NH2",
"Glycyl-l-valine"
] | [
3.8927,
4.4472,
5.2672,
3.24
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_136 | task2 | B | Phenyltrimethylammonium Chloride | [
"1,4-Diazepane",
"Phenyltrimethylammonium Chloride",
"Choline",
"Soman"
] | [
4.0016,
4.8802,
4.873,
1.8751
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_137 | task2 | D | N6-Dimethyllysine | [
"lysyllysine",
"Sodium cation",
"Samarium(III) chloride",
"N6-Dimethyllysine"
] | [
3.5798,
2.3455,
3.82,
3.9074
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_138 | task2 | D | H-GGVKKPHY-NH2 | [
"L-Alanine",
"Soman",
"Glycyl-l-alanine",
"H-GGVKKPHY-NH2"
] | [
3.22,
1.8751,
3.21,
3.8927
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_139 | task2 | C | N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane | [
"1,5-pentanediol",
"p-Nitrobenzyltrimethylammonium",
"N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane",
"Cesium chloride, Caesium chloride"
] | [
1.4301,
4.1987,
7.1761,
2.8816
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_140 | task2 | C | 1,4-Diazepane | [
"Lysylarginine",
"Cesium chloride, Caesium chloride",
"1,4-Diazepane",
"L-Phenylalanine"
] | [
3.5682,
2.8816,
4.0016,
3.14
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_141 | task2 | C | H-ARTK(me3)QTAY-NH2 | [
"Potassium cation",
"Methylarginine",
"H-ARTK(me3)QTAY-NH2",
"Camphor"
] | [
2.329,
2.8808,
5.301,
2.8129
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_142 | task2 | D | protonated trans-Merocyanine | [
"Soman",
"norfloxacin",
"1,4-Diazepane",
"protonated trans-Merocyanine"
] | [
1.8751,
4.0755,
4.0016,
4.3979
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_143 | task2 | B | H-ARTK(me3)QTARKSTGY-NH2 | [
"Pentylamine (protonated form)",
"H-ARTK(me3)QTARKSTGY-NH2",
"Choline",
"N,N′-bis(propylenetrimethylammonium)-3,4,9,10-perylene bisimide"
] | [
3.81,
7.8261,
4.873,
6.2553
] | p-Sulfonatocalix[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_0 | task2 | A | Benzyltrimethylammonium | [
"Benzyltrimethylammonium",
"4-methylpyridine",
"Pyridine",
"methyl viologen diiodide"
] | [
4,
2.5121,
2.1702,
3.74
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_1 | task2 | A | Choline | [
"Choline",
"Tetramethylammonium",
"2,2'-bipyridine",
"2-methylpyridine"
] | [
4.1553,
3.6,
3.086,
2.6934
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_2 | task2 | C | Benzyltrimethylammonium | [
"Tetramethylammonium",
"2,6-dimethylpyridine",
"Benzyltrimethylammonium",
"L-Arginine"
] | [
3.6,
3.2286,
4,
3.0086
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_3 | task2 | A | Benzyltrimethylammonium | [
"Benzyltrimethylammonium",
"1,10-Phenanthroline",
"L-Arginine",
"2,3-Diazabicyclo(2.2.2)oct-2-ene"
] | [
4,
3.3581,
3.0086,
1.3945
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_4 | task2 | D | N,N′-bis(propylenetrimethylammonium)-3,4,9,10-perylene bisimide | [
"Benzyltrimethylammonium",
"Tetramethylammonium",
"6,7-diazabicyclo(3.2.2)non-6-ene",
"N,N′-bis(propylenetrimethylammonium)-3,4,9,10-perylene bisimide"
] | [
4,
3.6,
1.7649,
6.7709
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_5 | task2 | C | Benzyltrimethylammonium | [
"2-methylpyridine",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Benzyltrimethylammonium",
"6,7-diazabicyclo(3.2.2)non-6-ene"
] | [
2.6934,
1.3945,
4,
1.7649
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_6 | task2 | C | Succinylcholine | [
"6,7-diazabicyclo(3.2.2)non-6-ene",
"Tetramethylammonium",
"Succinylcholine",
"Benzyltrimethylammonium"
] | [
1.7649,
3.6,
5.4048,
4
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_7 | task2 | D | Phenyltrimethylammonium Chloride | [
"Benzyltrimethylammonium",
"2,2'-bipyridine",
"1,10-Phenanthroline",
"Phenyltrimethylammonium Chloride"
] | [
4,
3.086,
3.3581,
4.1987
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_8 | task2 | D | Succinylcholine | [
"Phenyltrimethylammonium Chloride",
"p-Nitrobenzyltrimethylammonium",
"4-methylpyridine",
"Succinylcholine"
] | [
4.1987,
5.1004,
2.5121,
5.4048
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_9 | task2 | D | N,N′-bis(propylenetrimethylammonium)-3,4,9,10-perylene bisimide | [
"Tetramethylammonium",
"Pyridine",
"1-pyrenemethylaminium",
"N,N′-bis(propylenetrimethylammonium)-3,4,9,10-perylene bisimide"
] | [
3.6,
2.1702,
4.8921,
6.7709
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_10 | task2 | D | Succinylcholine | [
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"L-Lysine",
"1-pyrenemethylaminium",
"Succinylcholine"
] | [
1.3945,
2.8457,
4.8921,
5.4048
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_11 | task2 | D | Succinylcholine | [
"Pyridine",
"4,4'-Bipyridine",
"1-pyrenemethylaminium",
"Succinylcholine"
] | [
2.1702,
3.3094,
4.8921,
5.4048
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_12 | task2 | B | Tetramethylammonium | [
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Tetramethylammonium",
"4,4'-Bipyridine",
"1,10-Phenanthroline"
] | [
1.3945,
3.6,
3.3094,
3.3581
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_13 | task2 | A | 1-pyrenemethylaminium | [
"1-pyrenemethylaminium",
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"1,10-Phenanthroline"
] | [
4.8921,
1.5428,
1.3945,
3.3581
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_14 | task2 | B | Phenyltrimethylammonium Chloride | [
"2,6-dimethylpyridine",
"Phenyltrimethylammonium Chloride",
"Choline",
"L-Arginine"
] | [
3.2286,
4.1987,
4.1553,
3.0086
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_15 | task2 | C | Choline | [
"Benzyltrimethylammonium",
"2-methylpyridine",
"Choline",
"2,3-Diazabicyclo[2.2.1]-hept-2-ene"
] | [
4,
2.6934,
4.1553,
1.5428
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_16 | task2 | D | N,N′-bis(propylenetrimethylammonium)-3,4,9,10-perylene bisimide | [
"2-methylpyridine",
"1,10-Phenanthroline",
"1-pyrenemethylaminium",
"N,N′-bis(propylenetrimethylammonium)-3,4,9,10-perylene bisimide"
] | [
2.6934,
3.3581,
4.8921,
6.7709
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_17 | task2 | A | methyl viologen diiodide | [
"methyl viologen diiodide",
"L-Arginine",
"1,10-Phenanthroline",
"2,2'-bipyridine"
] | [
3.74,
3.0086,
3.3581,
3.086
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_18 | task2 | C | Benzyltrimethylammonium | [
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"2,2'-bipyridine",
"Benzyltrimethylammonium",
"6,7-diazabicyclo(3.2.2)non-6-ene"
] | [
1.5428,
3.086,
4,
1.7649
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_19 | task2 | A | 2,2'-bipyridine | [
"2,2'-bipyridine",
"Pyridine",
"2-methylpyridine",
"2,3-Diazabicyclo(2.2.2)oct-2-ene"
] | [
3.086,
2.1702,
2.6934,
1.3945
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_20 | task2 | A | Choline | [
"Choline",
"L-Lysine",
"2-methylpyridine",
"4,4'-Bipyridine"
] | [
4.1553,
2.8457,
2.6934,
3.3094
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_21 | task2 | D | 4,4'-Bipyridine | [
"L-Arginine",
"6,7-diazabicyclo(3.2.2)non-6-ene",
"2,6-dimethylpyridine",
"4,4'-Bipyridine"
] | [
3.0086,
1.7649,
3.2286,
3.3094
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene_22 | task2 | C | 1-pyrenemethylaminium | [
"4-methylpyridine",
"2-methylpyridine",
"1-pyrenemethylaminium",
"2,3-Diazabicyclo(2.2.2)oct-2-ene"
] | [
2.5121,
2.6934,
4.8921,
1.3945
] | p-Sulfonatocalix[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[5]arene sodium salt_0 | task2 | B | methyl viologen diiodide | [
"Cinchocaine hydrochloride",
"methyl viologen diiodide",
"Tetracaine hydrochloride",
"Lidocaine"
] | [
3.415,
5.5302,
2.738,
3.0492
] | p-Sulfonatocalix[5]arene sodium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene sodium salt in aqueous solution at standard conditions?
A. Cinchocaine hydroc... | eupmc | base |
t2_p-Sulfonatocalix[5]arene sodium salt_1 | task2 | D | Cinchocaine hydrochloride | [
"Procaine hydrochloride",
"Tetracaine hydrochloride",
"Procainamide hydrochloride",
"Cinchocaine hydrochloride"
] | [
3.2122,
2.738,
3.2504,
3.415
] | p-Sulfonatocalix[5]arene sodium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene sodium salt in aqueous solution at standard conditions?
A. Procaine hydrochlo... | eupmc | base |
t2_p-Sulfonatocalix[5]arene sodium salt_2 | task2 | A | Cinchocaine hydrochloride | [
"Cinchocaine hydrochloride",
"Procainamide hydrochloride",
"Tetracaine hydrochloride",
"Lidocaine"
] | [
3.415,
3.2504,
2.738,
3.0492
] | p-Sulfonatocalix[5]arene sodium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene sodium salt in aqueous solution at standard conditions?
A. Cinchocaine hydroc... | eupmc | base |
t2_p-Sulfonatocalix[5]arene sodium salt_3 | task2 | D | methyl viologen diiodide | [
"Procaine hydrochloride",
"Cinchocaine hydrochloride",
"Lidocaine",
"methyl viologen diiodide"
] | [
3.2122,
3.415,
3.0492,
5.5302
] | p-Sulfonatocalix[5]arene sodium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene sodium salt in aqueous solution at standard conditions?
A. Procaine hydrochlo... | eupmc | base |
t2_p-Sulfonatocalix[5]arene sodium salt_4 | task2 | A | methyl viologen diiodide | [
"methyl viologen diiodide",
"Tetracaine hydrochloride",
"Procaine hydrochloride",
"Cinchocaine hydrochloride"
] | [
5.5302,
2.738,
3.2122,
3.415
] | p-Sulfonatocalix[5]arene sodium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene sodium salt in aqueous solution at standard conditions?
A. methyl viologen di... | eupmc | base |
t2_p-Sulfonatocalix[5]arene sodium salt_5 | task2 | D | methyl viologen diiodide | [
"Cinchocaine hydrochloride",
"Procainamide hydrochloride",
"Procaine hydrochloride",
"methyl viologen diiodide"
] | [
3.415,
3.2504,
3.2122,
5.5302
] | p-Sulfonatocalix[5]arene sodium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[5]arene sodium salt in aqueous solution at standard conditions?
A. Cinchocaine hydroc... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_0 | task2 | A | Tetraethylammonium iodide | [
"Tetraethylammonium iodide",
"D/L-Aspartic acid",
"asymmetric N,N-dimethylarginine",
"Copper cation"
] | [
5,
2.549,
2.4983,
4.143
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_1 | task2 | D | Norfloxacin | [
"Copper cation",
"Rhodamine B",
"asymmetric N,N-dimethylarginine",
"Norfloxacin"
] | [
4.143,
3.8173,
2.4983,
4.6016
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_2 | task2 | B | Trimebutine | [
"Symmetric-N,N-dimethylarginine",
"Trimebutine",
"Copper cation",
"Benzyltriethylammonium"
] | [
3.1004,
4.8095,
4.143,
4.8
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_3 | task2 | C | Copper cation | [
"Cyclopentanone",
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"Copper cation",
"4-[(E)-2-(3,10a-dihydropyren-1-yl)vinyl]-1-methyl-pyridine"
] | [
3.5465,
1.7419,
4.143,
3.76
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_4 | task2 | B | Insulin Human | [
"Cyclopentanone",
"Insulin Human",
"Acridine red",
"Berberine chloride"
] | [
3.5465,
5,
3.98,
3.96
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_5 | task2 | B | Phenyltrimethylammonium | [
"D/L-Serine",
"Phenyltrimethylammonium",
"Tetrabutylammonium iodide",
"Arginyl-arginyl-arginine"
] | [
2.0492,
4.4997,
3.2,
3.2041
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_6 | task2 | A | Benzyltriethylammonium | [
"Benzyltriethylammonium",
"Phenyltrimethylammonium",
"Pinacolyl methylphosphonic acid",
"Cyclopentanone"
] | [
4.8,
4.4997,
1.9777,
3.5465
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_7 | task2 | C | Neutral red hydrochloride | [
"asymmetric N,N-dimethylarginine",
"Arginylarginine",
"Neutral red hydrochloride",
"D/L-histidine"
] | [
2.4983,
3.0792,
3.6812,
3.2856
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_8 | task2 | D | Benzyltriethylammonium | [
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Soman",
"Benzyltrimethylammonium",
"Benzyltriethylammonium"
] | [
1.9138,
1,
0.6628,
4.8
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_9 | task2 | D | Tetraethylammonium iodide | [
"Tetrabutylammonium iodide",
"Cobalt(2+)",
"Choline",
"Tetraethylammonium iodide"
] | [
3.2,
3.7543,
4.8,
5
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_10 | task2 | A | Rhodamine 800 | [
"Rhodamine 800",
"Berberine chloride",
"Insulin Human",
"4-[(E)-2-(3,10a-dihydropyren-1-yl)vinyl]-1-methyl-pyridine"
] | [
5.0414,
3.96,
5,
3.76
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_11 | task2 | A | Tetramethylammonium | [
"Tetramethylammonium",
"Tetrabutylammonium iodide",
"Symmetric-N,N-dimethylarginine",
"2,3-Diazabicyclo(2.2.2)oct-2-ene"
] | [
4.8998,
3.2,
3.1004,
1.9138
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_12 | task2 | B | Methylene Blue | [
"Choline",
"Methylene Blue",
"Diisopropyl methylphosphonate",
"Fluorescein"
] | [
4.8,
5.8202,
1.2525,
3.7839
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_13 | task2 | D | Methylene Blue | [
"Norfloxacin",
"Arginylarginine",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Methylene Blue"
] | [
4.6016,
3.0792,
1.9138,
5.8202
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_14 | task2 | D | Copper cation | [
"Arginylarginine",
"D/L-Serine",
"Lysyllysyllysine",
"Copper cation"
] | [
3.0792,
2.0492,
3.4914,
4.143
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_15 | task2 | D | Neutral red hydrochloride | [
"Benzyltrimethylammonium",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Cyclopentanone",
"Neutral red hydrochloride"
] | [
0.6628,
1.9138,
3.5465,
3.6812
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_16 | task2 | D | Methylene Blue | [
"D/L-histidine",
"Tetrapropylammonium chloride",
"Benzyltrimethylammonium",
"Methylene Blue"
] | [
3.2856,
4.1987,
0.6628,
5.8202
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_17 | task2 | B | Rhodamine 800 | [
"Berberine chloride",
"Rhodamine 800",
"L-Arginine",
"D/L-histidine"
] | [
3.96,
5.0414,
2.1202,
3.2856
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_18 | task2 | C | Methylene Blue | [
"2-nitrobenzylmethylethercholine",
"Diisopropyl methylphosphonate",
"Methylene Blue",
"Benzyltriethylammonium"
] | [
4.1139,
1.2525,
5.8202,
4.8
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_19 | task2 | D | Rhodamine 800 | [
"Butyl Rhodamine B",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"Rhodamine 800"
] | [
4.4781,
1.9138,
1.7419,
5.0414
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_20 | task2 | D | Rhodamine 800 | [
"Nickel(2+)",
"Phenyltrimethylammonium",
"asymmetric N,N-dimethylarginine",
"Rhodamine 800"
] | [
3.7316,
4.4997,
2.4983,
5.0414
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_21 | task2 | A | Copper cation | [
"Copper cation",
"Berberine chloride",
"asymmetric N,N-dimethylarginine",
"Diisopropyl methylphosphonate"
] | [
4.143,
3.96,
2.4983,
1.2525
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_22 | task2 | A | Acetylthiocholine | [
"Acetylthiocholine",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Pinacolyl methylphosphonic acid",
"Nickel(2+)"
] | [
4.6998,
1.9138,
1.9777,
3.7316
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_23 | task2 | B | Berberine chloride | [
"Pinacolyl methylphosphonic acid",
"Berberine chloride",
"Arginyl-arginyl-arginine",
"Zinc cation"
] | [
1.9777,
3.96,
3.2041,
3.847
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_24 | task2 | C | Tetramethylammonium | [
"2-nitrobenzylmethylethercholine",
"D/L-phenylalanine",
"Tetramethylammonium",
"Auramine O"
] | [
4.1139,
2.5821,
4.8998,
4.0934
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_25 | task2 | D | Insulin Human | [
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"Cobalt(2+)",
"Auramine O",
"Insulin Human"
] | [
1.7419,
3.7543,
4.0934,
5
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_26 | task2 | C | Berberine chloride | [
"Cobalt(2+)",
"Benzyltrimethylammonium",
"Berberine chloride",
"Zinc cation"
] | [
3.7543,
0.6628,
3.96,
3.847
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_27 | task2 | A | Cobalt(2+) | [
"Cobalt(2+)",
"Arginyl-arginyl-arginine",
"Benzyltrimethylammonium",
"D/L-Aspartic acid"
] | [
3.7543,
3.2041,
0.6628,
2.549
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
t2_p-Sulfonatocalix[6]arene_28 | task2 | A | Insulin Human | [
"Insulin Human",
"Neutral Red protonated",
"Tetrapropylammonium chloride",
"Benzyltrimethylammonium"
] | [
5,
4.4254,
4.1987,
0.6628
] | p-Sulfonatocalix[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule p-Sulfonatocalix[6]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O... | eupmc | base |
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