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_sodium sulfonated pillar[6]arene_11 | task2 | C | Cadaverine (fully protonated form) | [
"Tetramethylammonium bromide",
"Cisatracurium",
"Cadaverine (fully protonated form)",
"1-Adamantylammonium chloride"
] | [
6.3655,
5.9786,
7.3838,
5.8476
] | sodium sulfonated pillar[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 sodium sulfonated pillar[6]arene in aqueous solution at standard conditions?
A. Tetramethylammonium br... | eupmc | base |
t2_sodium sulfonated pillar[6]arene_12 | task2 | C | N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide | [
"propane-1,3-diaminium chloride",
"Acetylcholine",
"N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide",
"N,N,N-trimethylhexan-1-aminium bromide"
] | [
5.7143,
7.7118,
10.896,
9
] | sodium sulfonated pillar[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 sodium sulfonated pillar[6]arene in aqueous solution at standard conditions?
A. propane-1,3-diaminium ... | eupmc | base |
t2_sodium sulfonated pillar[6]arene_13 | task2 | C | 1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide | [
"Acetylcholine",
"N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide",
"1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide",
"N1,N6-dimethylhexane-1,6-diaminium chloride"
] | [
7.7118,
11.2695,
11.6551,
9.6972
] | sodium sulfonated pillar[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 sodium sulfonated pillar[6]arene in aqueous solution at standard conditions?
A. Acetylcholine (SMILES:... | eupmc | base |
t2_sodium sulfonated pillar[6]arene_14 | task2 | A | Rocuronium | [
"Rocuronium",
"cyclohexanaminium chloride",
"N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide",
"N1,N6-dimethylhexane-1,6-diaminium chloride"
] | [
11.8014,
5.3483,
10.896,
9.6972
] | sodium sulfonated pillar[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 sodium sulfonated pillar[6]arene in aqueous solution at standard conditions?
A. Rocuronium (SMILES: CC... | eupmc | base |
t2_sodium sulfonated pillar[6]arene_15 | task2 | B | N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride | [
"propane-1,3-diaminium chloride",
"N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride",
"1-Adamantylammonium chloride",
"Acetylcholine"
] | [
5.7143,
11.2253,
5.8476,
7.7118
] | sodium sulfonated pillar[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 sodium sulfonated pillar[6]arene in aqueous solution at standard conditions?
A. propane-1,3-diaminium ... | eupmc | base |
t2_sodium sulfonated pillar[6]arene_16 | task2 | A | N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide | [
"N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide",
"N,N,N-trimethylhexan-1-aminium bromide",
"Pancuronium",
"propane-1,3-diaminium chloride"
] | [
10.896,
9,
10.8663,
5.7143
] | sodium sulfonated pillar[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 sodium sulfonated pillar[6]arene in aqueous solution at standard conditions?
A. N1,N1,N1,N4,N4,N4-hexa... | eupmc | base |
t2_sodium sulfonated pillar[6]arene_17 | task2 | A | Rocuronium | [
"Rocuronium",
"N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide",
"Tetramethylammonium bromide",
"1,4-phenylenedimethanaminium chloride"
] | [
11.8014,
10.896,
6.3655,
8.2553
] | sodium sulfonated pillar[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 sodium sulfonated pillar[6]arene in aqueous solution at standard conditions?
A. Rocuronium (SMILES: CC... | eupmc | base |
t2_sodium sulfonated pillar[6]arene_18 | task2 | D | 1,4-bis(trimethyl-l4-azaneyl)cyclohexane | [
"Acetylcholine",
"N1,N6-dimethylhexane-1,6-diaminium chloride",
"Cisatracurium",
"1,4-bis(trimethyl-l4-azaneyl)cyclohexane"
] | [
7.7118,
9.6972,
5.9786,
11.3655
] | sodium sulfonated pillar[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 sodium sulfonated pillar[6]arene in aqueous solution at standard conditions?
A. Acetylcholine (SMILES:... | eupmc | base |
t2_sodium sulfonated pillar[6]arene_19 | task2 | B | N1,N6-dimethylhexane-1,6-diaminium chloride | [
"1-Adamantylammonium chloride",
"N1,N6-dimethylhexane-1,6-diaminium chloride",
"cyclohexanaminium chloride",
"Cisatracurium"
] | [
5.8476,
9.6972,
5.3483,
5.9786
] | sodium sulfonated pillar[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 sodium sulfonated pillar[6]arene in aqueous solution at standard conditions?
A. 1-Adamantylammonium ch... | eupmc | base |
t2_sodium sulfonated pillar[6]arene_20 | task2 | D | Rocuronium | [
"N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride",
"cyclohexanaminium chloride",
"N,N,N-trimethylhexan-1-aminium bromide",
"Rocuronium"
] | [
11.2253,
5.3483,
9,
11.8014
] | sodium sulfonated pillar[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 sodium sulfonated pillar[6]arene in aqueous solution at standard conditions?
A. N1,N1,N6,N6-tetramethy... | eupmc | base |
t2_sodium sulfonated pillar[6]arene_21 | task2 | B | Vecuronium | [
"N,N,N-trimethylhexan-1-aminium bromide",
"Vecuronium",
"1,4-phenylenedimethanaminium chloride",
"Cisatracurium"
] | [
9,
12,
8.2553,
5.9786
] | sodium sulfonated pillar[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 sodium sulfonated pillar[6]arene in aqueous solution at standard conditions?
A. N,N,N-trimethylhexan-1... | eupmc | base |
t2_sodium sulfonated pillar[6]arene_22 | task2 | B | 1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide | [
"1,4-bis(trimethyl-l4-azaneyl)cyclohexane",
"1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide",
"1,4-phenylenedimethanaminium chloride",
"Acetylcholine"
] | [
11.3655,
11.6551,
8.2553,
7.7118
] | sodium sulfonated pillar[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 sodium sulfonated pillar[6]arene in aqueous solution at standard conditions?
A. 1,4-bis(trimethyl-l4-a... | eupmc | base |
t2_sulfobutylether7-β-cyclodextrin_0 | task2 | D | Rhodamine 6G | [
"Rhodamine B",
"1-Adamantanamine",
"Rimantadine",
"Rhodamine 6G"
] | [
6.4216,
4.0719,
4.3324,
6.8055
] | sulfobutylether7-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 sulfobutylether7-β-cyclodextrin in aqueous solution at standard conditions?
A. Rhodamine B (SMILES: CC... | eupmc | base |
t2_sulfobutylether7-β-cyclodextrin_1 | task2 | B | Rhodamine B | [
"Thiazole orange",
"Rhodamine B",
"1-Adamantanamine",
"Rimantadine"
] | [
4.8976,
6.4216,
4.0719,
4.3324
] | sulfobutylether7-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 sulfobutylether7-β-cyclodextrin in aqueous solution at standard conditions?
A. Thiazole orange (SMILES... | eupmc | base |
t2_sulfobutylether7-β-cyclodextrin_2 | task2 | A | Rhodamine 6G | [
"Rhodamine 6G",
"1-Adamantanamine",
"[Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium",
"Memantine"
] | [
6.8055,
4.0719,
5.1461,
3.7027
] | sulfobutylether7-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 sulfobutylether7-β-cyclodextrin in aqueous solution at standard conditions?
A. Rhodamine 6G (SMILES: C... | eupmc | base |
t2_sulfobutylether7-β-cyclodextrin_3 | task2 | C | TMPyP4 | [
"Thiazole orange",
"Rhodamine B",
"TMPyP4",
"Rimantadine"
] | [
4.8976,
6.4216,
8.9912,
4.3324
] | sulfobutylether7-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 sulfobutylether7-β-cyclodextrin in aqueous solution at standard conditions?
A. Thiazole orange (SMILES... | eupmc | base |
t2_sulfobutylether7-β-cyclodextrin_4 | task2 | B | Rhodamine B | [
"[Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium",
"Rhodamine B",
"Neutral red hydrochloride",
"1-Adamantanamine"
] | [
5.1461,
6.4216,
3.3883,
4.0719
] | sulfobutylether7-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 sulfobutylether7-β-cyclodextrin in aqueous solution at standard conditions?
A. [Amino-[4-[6-[amino(aza... | eupmc | base |
t2_sulfobutylether7-β-cyclodextrin_5 | task2 | A | TMPyP4 | [
"TMPyP4",
"Rimantadine",
"Neutral red hydrochloride",
"Memantine"
] | [
8.9912,
4.3324,
3.3883,
3.7027
] | sulfobutylether7-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 sulfobutylether7-β-cyclodextrin in aqueous solution at standard conditions?
A. TMPyP4 (SMILES: C[N+]1=... | eupmc | base |
t2_sulfobutylether7-β-cyclodextrin_6 | task2 | D | Rhodamine 6G | [
"1-Adamantanamine",
"Neutral red hydrochloride",
"Thiazole orange",
"Rhodamine 6G"
] | [
4.0719,
3.3883,
4.8976,
6.8055
] | sulfobutylether7-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 sulfobutylether7-β-cyclodextrin in aqueous solution at standard conditions?
A. 1-Adamantanamine (SMILE... | eupmc | base |
t2_sulfobutylether7-β-cyclodextrin_7 | task2 | C | Rhodamine 6G | [
"Rhodamine B",
"Rimantadine",
"Rhodamine 6G",
"Thiazole orange"
] | [
6.4216,
4.3324,
6.8055,
4.8976
] | sulfobutylether7-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 sulfobutylether7-β-cyclodextrin in aqueous solution at standard conditions?
A. Rhodamine B (SMILES: CC... | eupmc | base |
t2_sulfobutylether7-β-cyclodextrin_8 | task2 | C | Rhodamine 6G | [
"Thiazole orange",
"Rimantadine",
"Rhodamine 6G",
"Memantine"
] | [
4.8976,
4.3324,
6.8055,
3.7027
] | sulfobutylether7-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 sulfobutylether7-β-cyclodextrin in aqueous solution at standard conditions?
A. Thiazole orange (SMILES... | eupmc | base |
t2_sulfonated pillar[5]arene_0 | task2 | A | N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride | [
"N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride",
"1,4-bis(trimethyl-l4-azaneyl)cyclohexane",
"Acetylcholine",
"Tetramethylammonium bromide"
] | [
11.9956,
5.932,
5.5786,
4.4928
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. N1,N1,N1,N6,N6,N6-hexamethylh... | eupmc | base |
t2_sulfonated pillar[5]arene_1 | task2 | D | N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride | [
"N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide",
"hexane-1,6-diaminium chloride",
"Acetylcholine",
"N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride"
] | [
9.3345,
8.943,
5.5786,
11.9956
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. N1,N1,N1,N4,N4,N4-hexamethylb... | eupmc | base |
t2_sulfonated pillar[5]arene_2 | task2 | A | 1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide | [
"1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide",
"Pancuronium",
"Acetylcholine",
"Cisatracurium"
] | [
6.3464,
6.179,
5.5786,
5.415
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. 1,1'-(1,4-phenylene)bis(N,N,N... | eupmc | base |
t2_sulfonated pillar[5]arene_3 | task2 | A | N,N,N-trimethylhexan-1-aminium bromide | [
"N,N,N-trimethylhexan-1-aminium bromide",
"Rocuronium",
"diammonium-1,5-pentane chloride",
"Methyl viologen"
] | [
8.6444,
5.6253,
7.2279,
8.1644
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. N,N,N-trimethylhexan-1-aminiu... | eupmc | base |
t2_sulfonated pillar[5]arene_4 | task2 | C | hexane-1,6-diaminium chloride | [
"1,4-phenylenedimethanaminium chloride",
"1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide",
"hexane-1,6-diaminium chloride",
"Adamantan-1-yl-trimethyl-ammonium"
] | [
4.143,
6.3464,
8.943,
5.2148
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. 1,4-phenylenedimethanaminium ... | eupmc | base |
t2_sulfonated pillar[5]arene_5 | task2 | A | N1,N6-dimethylhexane-1,6-diaminium chloride | [
"N1,N6-dimethylhexane-1,6-diaminium chloride",
"Pancuronium",
"Vecuronium",
"Rocuronium"
] | [
10.1399,
6.179,
6.0492,
5.6253
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. N1,N6-dimethylhexane-1,6-diam... | eupmc | base |
t2_sulfonated pillar[5]arene_6 | task2 | C | N1,N6-dimethylhexane-1,6-diaminium chloride | [
"N,N,N-trimethylhexan-1-aminium bromide",
"Vecuronium",
"N1,N6-dimethylhexane-1,6-diaminium chloride",
"1,4-bis(trimethyl-l4-azaneyl)cyclohexane"
] | [
8.6444,
6.0492,
10.1399,
5.932
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. N,N,N-trimethylhexan-1-aminiu... | eupmc | base |
t2_sulfonated pillar[5]arene_7 | task2 | B | N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide | [
"hexane-1,6-diaminium chloride",
"N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide",
"1,4-bis(trimethyl-l4-azaneyl)cyclohexane",
"Acetylcholine"
] | [
8.943,
11.8357,
5.932,
5.5786
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. hexane-1,6-diaminium chloride... | eupmc | base |
t2_sulfonated pillar[5]arene_8 | task2 | A | N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride | [
"N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride",
"Rocuronium",
"diammonium-1,5-pentane chloride",
"cyclohexanaminium chloride"
] | [
11.9956,
5.6253,
7.2279,
4.9956
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. N1,N1,N1,N6,N6,N6-hexamethylh... | eupmc | base |
t2_sulfonated pillar[5]arene_9 | task2 | D | N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride | [
"Vecuronium",
"cyclohexanaminium chloride",
"Acetylcholine",
"N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride"
] | [
6.0492,
4.9956,
5.5786,
11.5132
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. Vecuronium (SMILES: CC(=O)OC1... | eupmc | base |
t2_sulfonated pillar[5]arene_10 | task2 | D | Methyl viologen | [
"Pancuronium",
"Rocuronium",
"Cisatracurium",
"Methyl viologen"
] | [
6.179,
5.6253,
5.415,
8.1644
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. Pancuronium (SMILES: CC(=O)OC... | eupmc | base |
t2_sulfonated pillar[5]arene_11 | task2 | C | N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide | [
"Tetramethylammonium bromide",
"Vecuronium",
"N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide",
"diammonium-1,5-pentane chloride"
] | [
4.4928,
6.0492,
11.8357,
7.2279
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. Tetramethylammonium bromide (... | eupmc | base |
t2_sulfonated pillar[5]arene_12 | task2 | B | Pancuronium | [
"Vecuronium",
"Pancuronium",
"Cisatracurium",
"cyclohexanaminium chloride"
] | [
6.0492,
6.179,
5.415,
4.9956
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. Vecuronium (SMILES: CC(=O)OC1... | eupmc | base |
t2_sulfonated pillar[5]arene_13 | task2 | A | N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride | [
"N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride",
"1,4-bis(trimethyl-l4-azaneyl)cyclohexane",
"hexane-1,6-diaminium chloride",
"Vecuronium"
] | [
11.5132,
5.932,
8.943,
6.0492
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. N1,N1,N6,N6-tetramethylhexane... | eupmc | base |
t2_sulfonated pillar[5]arene_14 | task2 | C | 1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide | [
"Cisatracurium",
"cyclohexanaminium chloride",
"1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide",
"Pancuronium"
] | [
5.415,
4.9956,
6.3464,
6.179
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. Cisatracurium (SMILES: C[N+]1... | eupmc | base |
t2_sulfonated pillar[5]arene_15 | task2 | B | N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide | [
"1-Adamantylammonium chloride",
"N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide",
"Acetylcholine",
"1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide"
] | [
4.9279,
9.3345,
5.5786,
6.3464
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. 1-Adamantylammonium chloride ... | eupmc | base |
t2_sulfonated pillar[5]arene_16 | task2 | B | N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride | [
"Pancuronium",
"N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride",
"Adamantan-1-yl-trimethyl-ammonium",
"Methyl viologen"
] | [
6.179,
11.9956,
5.2148,
8.1644
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. Pancuronium (SMILES: CC(=O)OC... | eupmc | base |
t2_sulfonated pillar[5]arene_17 | task2 | A | N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide | [
"N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide",
"1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide",
"Pancuronium",
"cyclohexanaminium chloride"
] | [
11.8357,
6.3464,
6.179,
4.9956
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. N1,N1,N1,N5,N5,N5-hexamethylp... | eupmc | base |
t2_sulfonated pillar[5]arene_18 | task2 | C | Pancuronium | [
"Rocuronium",
"Adamantan-1-yl-trimethyl-ammonium",
"Pancuronium",
"Tetramethylammonium bromide"
] | [
5.6253,
5.2148,
6.179,
4.4928
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. Rocuronium (SMILES: CC(=O)OC1... | eupmc | base |
t2_sulfonated pillar[5]arene_19 | task2 | A | N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide | [
"N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide",
"Cisatracurium",
"cyclohexanaminium chloride",
"Tetramethylammonium bromide"
] | [
11.8357,
5.415,
4.9956,
4.4928
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. N1,N1,N1,N5,N5,N5-hexamethylp... | eupmc | base |
t2_sulfonated pillar[5]arene_20 | task2 | A | N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride | [
"N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride",
"Methyl viologen",
"Pancuronium",
"diammonium-1,5-pentane chloride"
] | [
11.9956,
8.1644,
6.179,
7.2279
] | sulfonated pillar[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 sulfonated pillar[5]arene in aqueous solution at standard conditions?
A. N1,N1,N1,N6,N6,N6-hexamethylh... | eupmc | base |
t2_sulfonated pillar[7]arene_0 | task2 | C | Adamantan-1-yl-trimethyl-ammonium | [
"Methyl viologen",
"hexane-1,6-diaminium chloride",
"Adamantan-1-yl-trimethyl-ammonium",
"1,4-bis(trimethyl-l4-azaneyl)cyclohexane"
] | [
6.5465,
4.7059,
7.2504,
6.5611
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. Methyl viologen (SMILES: C[N+... | eupmc | base |
t2_sulfonated pillar[7]arene_1 | task2 | A | Rocuronium | [
"Rocuronium",
"N1,N6-dimethylhexane-1,6-diaminium chloride",
"Methyl viologen",
"hexane-1,6-diaminium chloride"
] | [
7.1492,
5.7723,
6.5465,
4.7059
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. Rocuronium (SMILES: CC(=O)OC1... | eupmc | base |
t2_sulfonated pillar[7]arene_2 | task2 | B | Adamantan-1-yl-trimethyl-ammonium | [
"N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide",
"Adamantan-1-yl-trimethyl-ammonium",
"N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide",
"Cisatracurium"
] | [
6.2148,
7.2504,
6.6304,
7.1818
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. N1,N1,N1,N4,N4,N4-hexamethylb... | eupmc | base |
t2_sulfonated pillar[7]arene_3 | task2 | A | Cisatracurium | [
"Cisatracurium",
"1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide",
"N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride",
"N,N,N-trimethylhexan-1-aminium bromide"
] | [
7.1818,
6.4116,
6.5563,
6.4265
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. Cisatracurium (SMILES: C[N+]1... | eupmc | base |
t2_sulfonated pillar[7]arene_4 | task2 | C | Vecuronium | [
"N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride",
"Tetramethylammonium bromide",
"Vecuronium",
"1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide"
] | [
5.8122,
4.9666,
6.9708,
6.4116
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. N1,N1,N6,N6-tetramethylhexane... | eupmc | base |
t2_sulfonated pillar[7]arene_5 | task2 | A | Rocuronium | [
"Rocuronium",
"Pancuronium",
"1,4-phenylenedimethanaminium chloride",
"1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide"
] | [
7.1492,
6.8797,
6.5185,
6.4116
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. Rocuronium (SMILES: CC(=O)OC1... | eupmc | base |
t2_sulfonated pillar[7]arene_6 | task2 | B | Rocuronium | [
"Vecuronium",
"Rocuronium",
"N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride",
"Pancuronium"
] | [
6.9708,
7.1492,
6.5563,
6.8797
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. Vecuronium (SMILES: CC(=O)OC1... | eupmc | base |
t2_sulfonated pillar[7]arene_7 | task2 | C | Pancuronium | [
"N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide",
"1,4-bis(trimethyl-l4-azaneyl)cyclohexane",
"Pancuronium",
"Tetramethylammonium bromide"
] | [
6.2148,
6.5611,
6.8797,
4.9666
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. N1,N1,N1,N4,N4,N4-hexamethylb... | eupmc | base |
t2_sulfonated pillar[7]arene_8 | task2 | D | Adamantan-1-yl-trimethyl-ammonium | [
"Rocuronium",
"cyclohexane-1,4-diaminium chloride",
"N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride",
"Adamantan-1-yl-trimethyl-ammonium"
] | [
7.1492,
6.4533,
6.5563,
7.2504
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. Rocuronium (SMILES: CC(=O)OC1... | eupmc | base |
t2_sulfonated pillar[7]arene_9 | task2 | D | cyclohexane-1,4-diaminium chloride | [
"1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide",
"N,N,N-trimethylhexan-1-aminium bromide",
"N1,N6-dimethylhexane-1,6-diaminium chloride",
"cyclohexane-1,4-diaminium chloride"
] | [
6.4116,
6.4265,
5.7723,
6.4533
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. 1,1'-(1,4-phenylene)bis(N,N,N... | eupmc | base |
t2_sulfonated pillar[7]arene_10 | task2 | A | cyclohexane-1,4-diaminium chloride | [
"cyclohexane-1,4-diaminium chloride",
"N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide",
"1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide",
"Tetramethylammonium bromide"
] | [
6.4533,
6.2148,
6.4116,
4.9666
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. cyclohexane-1,4-diaminium chl... | eupmc | base |
t2_sulfonated pillar[7]arene_11 | task2 | A | Methyl viologen | [
"Methyl viologen",
"N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride",
"1-Adamantylammonium chloride",
"N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide"
] | [
6.5465,
5.8122,
6.1303,
6.2148
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. Methyl viologen (SMILES: C[N+... | eupmc | base |
t2_sulfonated pillar[7]arene_12 | task2 | A | Adamantan-1-yl-trimethyl-ammonium | [
"Adamantan-1-yl-trimethyl-ammonium",
"N,N,N-trimethylhexan-1-aminium bromide",
"Cisatracurium",
"cyclohexane-1,4-diaminium chloride"
] | [
7.2504,
6.4265,
7.1818,
6.4533
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. Adamantan-1-yl-trimethyl-ammo... | eupmc | base |
t2_sulfonated pillar[7]arene_13 | task2 | C | Rocuronium | [
"N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide",
"N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride",
"Rocuronium",
"N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide"
] | [
6.6304,
5.8122,
7.1492,
6.2148
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. N1,N1,N1,N5,N5,N5-hexamethylp... | eupmc | base |
t2_sulfonated pillar[7]arene_14 | task2 | A | Vecuronium | [
"Vecuronium",
"N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide",
"N,N,N-trimethylhexan-1-aminium bromide",
"1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide"
] | [
6.9708,
6.2148,
6.4265,
6.4116
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. Vecuronium (SMILES: CC(=O)OC1... | eupmc | base |
t2_sulfonated pillar[7]arene_15 | task2 | C | Cisatracurium | [
"1,4-phenylenedimethanaminium chloride",
"Methyl viologen",
"Cisatracurium",
"N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride"
] | [
6.5185,
6.5465,
7.1818,
5.8122
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. 1,4-phenylenedimethanaminium ... | eupmc | base |
t2_sulfonated pillar[7]arene_16 | task2 | C | Adamantan-1-yl-trimethyl-ammonium | [
"Cisatracurium",
"N1,N6-dimethylhexane-1,6-diaminium chloride",
"Adamantan-1-yl-trimethyl-ammonium",
"Vecuronium"
] | [
7.1818,
5.7723,
7.2504,
6.9708
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. Cisatracurium (SMILES: C[N+]1... | eupmc | base |
t2_sulfonated pillar[7]arene_17 | task2 | B | Cisatracurium | [
"1,4-phenylenedimethanaminium chloride",
"Cisatracurium",
"cyclohexane-1,4-diaminium chloride",
"Rocuronium"
] | [
6.5185,
7.1818,
6.4533,
7.1492
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. 1,4-phenylenedimethanaminium ... | eupmc | base |
t2_sulfonated pillar[7]arene_18 | task2 | D | Rocuronium | [
"cyclohexane-1,4-diaminium chloride",
"N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride",
"Pancuronium",
"Rocuronium"
] | [
6.4533,
6.5563,
6.8797,
7.1492
] | sulfonated pillar[7]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 sulfonated pillar[7]arene in aqueous solution at standard conditions?
A. cyclohexane-1,4-diaminium chl... | eupmc | base |
t2_syn amine naphthotube_0 | task2 | A | 2-phenylpropanedioic acid | [
"2-phenylpropanedioic acid",
"Ampicillin",
"2-amino-2-phenylacetic acid",
"2-acetyloxy-2-phenylacetic acid"
] | [
5.3079,
2.9782,
2.0792,
3.6042
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. 2-phenylpropanedioic acid (SMILES... | eupmc | base |
t2_syn amine naphthotube_1 | task2 | D | 2-phenylacetic acid | [
"2-oxo-2-phenylacetic acid",
"Hexanoic acid",
"2-oxo-3-phenylpropanoic acid",
"2-phenylacetic acid"
] | [
3.7466,
2.1303,
4.1004,
4.2236
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. 2-oxo-2-phenylacetic acid.
B. Hex... | eupmc | base |
t2_syn amine naphthotube_2 | task2 | A | 2-hydroxy-2-phenylacetic acid | [
"2-hydroxy-2-phenylacetic acid",
"2-oxo-2-phenylacetic acid",
"2-oxo-3-phenylpropanoic acid",
"3-Phenylpropanoic acid"
] | [
4.243,
3.7466,
4.1004,
3.6532
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. 2-hydroxy-2-phenylacetic acid (SM... | eupmc | base |
t2_syn amine naphthotube_3 | task2 | D | 2-hydroxy-2-phenylacetic acid | [
"3-Phenylpropanoic acid",
"2-amino-2-phenylacetic acid",
"2-phenylacetic acid",
"2-hydroxy-2-phenylacetic acid"
] | [
3.6532,
2.0792,
4.2236,
4.243
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. 3-Phenylpropanoic acid (SMILES: C... | eupmc | base |
t2_syn amine naphthotube_4 | task2 | B | Panicillin G | [
"2-amino-2-phenylacetic acid",
"Panicillin G",
"2-acetyloxy-2-phenylacetic acid",
"Ampicillin"
] | [
2.0792,
3.8513,
3.6042,
2.9782
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. 2-amino-2-phenylacetic acid (SMIL... | eupmc | base |
t2_syn amine naphthotube_5 | task2 | C | Benzoic acid | [
"2-acetyloxy-2-phenylacetic acid",
"methyl 2-phenylacetate",
"Benzoic acid",
"2-hydroxy-3-phenylpropanoic acid"
] | [
3.6042,
3.0231,
3.699,
3.6395
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. 2-acetyloxy-2-phenylacetic acid (... | eupmc | base |
t2_syn amine naphthotube_6 | task2 | D | carbenicillin | [
"2-phenylacetic acid",
"methyl 2-phenylacetate",
"2-hydroxy-2-phenylacetic acid",
"carbenicillin"
] | [
4.2236,
3.0231,
4.243,
5.5729
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. 2-phenylacetic acid (SMILES: C1=C... | eupmc | base |
t2_syn amine naphthotube_7 | task2 | A | carbenicillin | [
"carbenicillin",
"2-hydroxy-2-phenylacetic acid",
"2-phenylpropanedioic acid",
"Benzoic acid"
] | [
5.5729,
4.243,
5.3079,
3.699
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. carbenicillin (SMILES: CC1(C(N2C(... | eupmc | base |
t2_syn amine naphthotube_8 | task2 | A | 2-oxo-3-phenylpropanoic acid | [
"2-oxo-3-phenylpropanoic acid",
"3-Phenylpropanoic acid",
"Hexanoic acid",
"2-acetamido-2-phenylacetic acid"
] | [
4.1004,
3.6532,
2.1303,
3.5185
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. 2-oxo-3-phenylpropanoic acid.
B. ... | eupmc | base |
t2_syn amine naphthotube_9 | task2 | C | carbenicillin | [
"2-phenylacetic acid",
"2-hydroxy-2-phenylacetic acid",
"carbenicillin",
"2-acetyloxy-2-phenylacetic acid"
] | [
4.2236,
4.243,
5.5729,
3.6042
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. 2-phenylacetic acid (SMILES: C1=C... | eupmc | base |
t2_syn amine naphthotube_10 | task2 | D | 2-acetamido-2-phenylacetic acid | [
"Hexanoic acid",
"cyclohex-3-ene-1-carboxylic acid",
"Ampicillin",
"2-acetamido-2-phenylacetic acid"
] | [
2.1303,
2.8414,
2.9782,
3.5185
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. Hexanoic acid (SMILES: CCCCCC(=O)... | eupmc | base |
t2_syn amine naphthotube_11 | task2 | C | carbenicillin | [
"2-oxo-3-phenylpropanoic acid",
"acetylphenylalanine",
"carbenicillin",
"2-amino-2-phenylacetic acid"
] | [
4.1004,
3.1106,
5.5729,
2.0792
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. 2-oxo-3-phenylpropanoic acid.
B. ... | eupmc | base |
t2_syn amine naphthotube_12 | task2 | C | 2-hydroxy-2-phenylacetic acid | [
"Ampicillin",
"methyl 2-phenylacetate",
"2-hydroxy-2-phenylacetic acid",
"3-Phenylpropanoic acid"
] | [
2.9782,
3.0231,
4.243,
3.6532
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. Ampicillin (SMILES: CC1(C(N2C(S1)... | eupmc | base |
t2_syn amine naphthotube_13 | task2 | D | 2-phenylpropanedioic acid | [
"acetylphenylalanine",
"2-acetyloxy-2-phenylacetic acid",
"Benzoic acid",
"2-phenylpropanedioic acid"
] | [
3.1106,
3.6042,
3.699,
5.3079
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. acetylphenylalanine (SMILES: OC(=... | eupmc | base |
t2_syn amine naphthotube_14 | task2 | C | carbenicillin | [
"3-Phenylpropanoic acid",
"cyclohex-3-ene-1-carboxylic acid",
"carbenicillin",
"Hexanoic acid"
] | [
3.6532,
2.8414,
5.5729,
2.1303
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. 3-Phenylpropanoic acid (SMILES: C... | eupmc | base |
t2_syn amine naphthotube_15 | task2 | A | 2-hydroxy-2-phenylacetic acid | [
"2-hydroxy-2-phenylacetic acid",
"Ampicillin",
"acetylphenylalanine",
"Benzoic acid"
] | [
4.243,
2.9782,
3.1106,
3.699
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. 2-hydroxy-2-phenylacetic acid (SM... | eupmc | base |
t2_syn amine naphthotube_16 | task2 | D | 2-hydroxy-3-phenylpropanoic acid | [
"D/L-phenylalanine",
"2-acetyloxy-2-phenylacetic acid",
"cyclohex-3-ene-1-carboxylic acid",
"2-hydroxy-3-phenylpropanoic acid"
] | [
2.415,
3.6042,
2.8414,
3.6395
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. D/L-phenylalanine (SMILES: NC(C(=... | eupmc | base |
t2_syn amine naphthotube_17 | task2 | A | Panicillin G | [
"Panicillin G",
"Ampicillin",
"methyl 2-phenylacetate",
"Hexanoic acid"
] | [
3.8513,
2.9782,
3.0231,
2.1303
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. Panicillin G.
B. Ampicillin (SMIL... | eupmc | base |
t2_syn amine naphthotube_18 | task2 | B | carbenicillin | [
"cyclohex-3-ene-1-carboxylic acid",
"carbenicillin",
"D/L-phenylalanine",
"acetylphenylalanine"
] | [
2.8414,
5.5729,
2.415,
3.1106
] | syn amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn amine naphthotube in aqueous solution at standard conditions?
A. cyclohex-3-ene-1-carboxylic acid.... | eupmc | base |
t2_syn oxatube_0 | task2 | B | D10D2+ | [
"D6D2+",
"D10D2+",
"D4D2+",
"D5+"
] | [
6.2553,
11.1461,
4.8325,
3.9731
] | syn oxatube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn oxatube in aqueous solution at standard conditions?
A. D6D2+ (SMILES: C(CC[N+]12CCN(CC1)CC2)CCC[N+... | eupmc | base |
t2_syn oxatube_1 | task2 | D | D14D2+ | [
"D5D2+",
"D6D2+",
"D5+",
"D14D2+"
] | [
6.3222,
6.2553,
3.9731,
8.3802
] | syn oxatube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn oxatube in aqueous solution at standard conditions?
A. D5D2+.
B. D6D2+ (SMILES: C(CC[N+]12CCN(CC1)... | eupmc | base |
t2_syn oxatube_2 | task2 | D | D10D2+ | [
"D6D2+",
"D4D2+",
"D5D2+",
"D10D2+"
] | [
6.2553,
4.8325,
6.3222,
11.1461
] | syn oxatube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn oxatube in aqueous solution at standard conditions?
A. D6D2+ (SMILES: C(CC[N+]12CCN(CC1)CC2)CCC[N+... | eupmc | base |
t2_syn oxatube_3 | task2 | B | D14D2+ | [
"D4D2+",
"D14D2+",
"D5D2+",
"D7D2+"
] | [
4.8325,
8.3802,
6.3222,
5.4914
] | syn oxatube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn oxatube in aqueous solution at standard conditions?
A. D4D2+ (SMILES: C(C[N+]12CCN(CC1)CC2)CC[N+]1... | eupmc | base |
t2_syn oxatube_4 | task2 | A | D5D2+ | [
"D5D2+",
"D7D2+",
"D4D2+",
"D6D2+"
] | [
6.3222,
5.4914,
4.8325,
6.2553
] | syn oxatube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn oxatube in aqueous solution at standard conditions?
A. D5D2+.
B. D7D2+ (SMILES: C(CCC[N+]12CCN(CC1... | eupmc | base |
t2_syn oxatube_5 | task2 | B | D10D2+ | [
"D5+",
"D10D2+",
"D6D2+",
"D7D2+"
] | [
3.9731,
11.1461,
6.2553,
5.4914
] | syn oxatube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn oxatube in aqueous solution at standard conditions?
A. D5+.
B. D10D2+ (SMILES: C(CCCC[N+]12CCN(CC1... | eupmc | base |
t2_syn oxatube_6 | task2 | B | D10D2+ | [
"D5D2+",
"D10D2+",
"D4D2+",
"D7D2+"
] | [
6.3222,
11.1461,
4.8325,
5.4914
] | syn oxatube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn oxatube in aqueous solution at standard conditions?
A. D5D2+.
B. D10D2+ (SMILES: C(CCCC[N+]12CCN(C... | eupmc | base |
t2_syn-Amide Naphthotube_0 | task2 | A | Ethyl acetate | [
"Ethyl acetate",
"2,2-Dimethoxypropane",
"(2S,3S)-2,3-Dimethyloxirane",
"(2R,3S)-2,3-Dimethyloxirane"
] | [
3.5294,
1.6902,
2.4997,
2.1703
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Ethyl acetate (SMILES: CCOC(=O)C)... | eupmc | base |
t2_syn-Amide Naphthotube_1 | task2 | D | 1,2-Butylene oxide | [
"Ethanol",
"Diethyl ether",
"Dimethyl sulfoxide",
"1,2-Butylene oxide"
] | [
0.9542,
2.4624,
1.4914,
2.7348
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Ethanol (SMILES: CCO).
B. Diethyl... | eupmc | base |
t2_syn-Amide Naphthotube_2 | task2 | D | 2-(pent-4-en-1-yl)oxirane | [
"Oxetane",
"1,4-dioxene",
"Tetrahydrofuran",
"2-(pent-4-en-1-yl)oxirane"
] | [
2.4857,
3.2553,
2.0328,
4.4298
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Oxetane (SMILES: C1COC1).
B. 1,4-... | eupmc | base |
t2_syn-Amide Naphthotube_3 | task2 | D | Dimethyl carbonate | [
"(2R,3S)-2,3-Dimethyloxirane",
"(2S,3S)-2,3-Dimethyloxirane",
"1,2-Butylene oxide",
"Dimethyl carbonate"
] | [
2.1703,
2.4997,
2.7348,
3.3547
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. (2R,3S)-2,3-Dimethyloxirane (SMIL... | eupmc | base |
t2_syn-Amide Naphthotube_4 | task2 | C | Dimethyl carbonate | [
"Tetrahydropyran",
"Oxetane",
"Dimethyl carbonate",
"Propylene carbonate"
] | [
1.8595,
2.4857,
3.3547,
1.7279
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Tetrahydropyran (SMILES: C1CCOCC1... | eupmc | base |
t2_syn-Amide Naphthotube_5 | task2 | C | 2-(pent-4-en-1-yl)oxirane | [
"Nitromethane",
"Cyclohexanone",
"2-(pent-4-en-1-yl)oxirane",
"1,2-dichloroethane"
] | [
1.2304,
1.5441,
4.4298,
1.8921
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Nitromethane.
B. Cyclohexanone (S... | eupmc | base |
t2_syn-Amide Naphthotube_6 | task2 | D | 1,3-dioxolane | [
"Ethanol",
"N,N-dimethylformamide",
"2,2-Dimethyloxirane",
"1,3-dioxolane"
] | [
0.9542,
2.4928,
2.1903,
2.6544
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Ethanol (SMILES: CCO).
B. N,N-dim... | eupmc | base |
t2_syn-Amide Naphthotube_7 | task2 | C | 2-(pent-4-en-1-yl)oxirane | [
"Oxepane",
"Tetrahydrofuran",
"2-(pent-4-en-1-yl)oxirane",
"6-Oxabicyclo[3.1.0]hexane"
] | [
2.5203,
2.0328,
4.4298,
2.2945
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Oxepane (SMILES: C1CCCOCC1).
B. T... | eupmc | base |
t2_syn-Amide Naphthotube_8 | task2 | D | Dimethoxymethane | [
"6-Oxabicyclo[3.1.0]hexane",
"7-Oxabicyclo[4.1.0]heptane",
"Diethyl ether",
"Dimethoxymethane"
] | [
2.2945,
1.7993,
2.4624,
3.8287
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. 6-Oxabicyclo[3.1.0]hexane.
B. 7-O... | eupmc | base |
t2_syn-Amide Naphthotube_9 | task2 | D | 1,2-Butylene oxide | [
"Tetrahydropyran",
"2-Propanol",
"1,3-dioxolane",
"1,2-Butylene oxide"
] | [
1.8595,
0.9542,
2.6544,
2.7348
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Tetrahydropyran (SMILES: C1CCOCC1... | eupmc | base |
t2_syn-Amide Naphthotube_10 | task2 | C | 2-methyl-1,3-dioxolane | [
"N-ethylacetamide",
"Diethyl ether",
"2-methyl-1,3-dioxolane",
"6-Oxabicyclo[3.1.0]hexane"
] | [
1.8129,
2.4624,
4.3365,
2.2945
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. N-ethylacetamide (SMILES: CCNC(=O... | eupmc | base |
t2_syn-Amide Naphthotube_11 | task2 | B | 2-methyl-1,3-dioxolane | [
"Oxazole",
"2-methyl-1,3-dioxolane",
"Thiane",
"Tetrahydrofuran"
] | [
2.1239,
4.3365,
1.8129,
2.0328
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Oxazole.
B. 2-methyl-1,3-dioxolan... | eupmc | base |
t2_syn-Amide Naphthotube_12 | task2 | D | 1,2-Butylene oxide | [
"Cyclohexanone",
"Oxetane",
"Dimethyl sulfoxide",
"1,2-Butylene oxide"
] | [
1.5441,
2.4857,
1.4914,
2.7348
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Cyclohexanone (SMILES: C1CCC(=O)C... | eupmc | base |
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