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_carboxylate pillar[6]arene_2 | task2 | A | N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride | [
"N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride",
"Tetramethylammonium bromide",
"N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide",
"Rocuronium"
] | [
7.6385,
4.9666,
7.1847,
6.1523
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. N1,N1,N6,N6-tetramethylhexan... | eupmc | base |
t2_carboxylate pillar[6]arene_3 | task2 | B | 1,4-bis(trimethyl-l4-azaneyl)cyclohexane | [
"Acetylcholine",
"1,4-bis(trimethyl-l4-azaneyl)cyclohexane",
"Tetramethylammonium bromide",
"N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide"
] | [
5.2718,
7.721,
4.9666,
7.415
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. Acetylcholine (SMILES: CC(=O... | eupmc | base |
t2_carboxylate pillar[6]arene_4 | task2 | C | N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride | [
"Acetylcholine",
"Cisatracurium",
"N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride",
"hexane-1,6-diaminium chloride"
] | [
5.2718,
5.0212,
7.8241,
7.4232
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. Acetylcholine (SMILES: CC(=O... | eupmc | base |
t2_carboxylate pillar[6]arene_5 | task2 | C | 1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide | [
"N,N,N-trimethylhexan-1-aminium bromide",
"1,4-phenylenedimethanaminium chloride",
"1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide",
"Rocuronium"
] | [
6.1303,
7.8261,
7.9279,
6.1523
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. N,N,N-trimethylhexan-1-amini... | eupmc | base |
t2_carboxylate pillar[6]arene_6 | task2 | D | Adamantan-1-yl-trimethyl-ammonium | [
"N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride",
"Pancuronium",
"Methyl viologen",
"Adamantan-1-yl-trimethyl-ammonium"
] | [
7.6385,
6.1959,
7.4969,
10.567
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. N1,N1,N6,N6-tetramethylhexan... | eupmc | base |
t2_carboxylate pillar[6]arene_7 | task2 | A | Adamantan-1-yl-trimethyl-ammonium | [
"Adamantan-1-yl-trimethyl-ammonium",
"N1,N6-dimethylhexane-1,6-diaminium chloride",
"hexane-1,6-diaminium chloride",
"Rocuronium"
] | [
10.567,
7.4579,
7.4232,
6.1523
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. Adamantan-1-yl-trimethyl-amm... | eupmc | base |
t2_carboxylate pillar[6]arene_8 | task2 | C | Vecuronium | [
"Tetramethylammonium bromide",
"Acetylcholine",
"Vecuronium",
"cyclohexanaminium chloride"
] | [
4.9666,
5.2718,
6.4579,
5.6385
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. Tetramethylammonium bromide ... | eupmc | base |
t2_carboxylate pillar[6]arene_9 | task2 | D | Methyl viologen | [
"N,N,N-trimethylhexan-1-aminium bromide",
"N1,N6-dimethylhexane-1,6-diaminium chloride",
"Acetylcholine",
"Methyl viologen"
] | [
6.1303,
7.4579,
5.2718,
7.4969
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. N,N,N-trimethylhexan-1-amini... | eupmc | base |
t2_carboxylate pillar[6]arene_10 | task2 | B | Vecuronium | [
"cyclohexanaminium chloride",
"Vecuronium",
"Rocuronium",
"Pancuronium"
] | [
5.6385,
6.4579,
6.1523,
6.1959
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. cyclohexanaminium chloride (... | eupmc | base |
t2_carboxylate pillar[6]arene_11 | task2 | D | 1,4-bis(trimethyl-l4-azaneyl)cyclohexane | [
"N1,N6-dimethylhexane-1,6-diaminium chloride",
"Methyl viologen",
"cyclohexane-1,4-diaminium chloride",
"1,4-bis(trimethyl-l4-azaneyl)cyclohexane"
] | [
7.4579,
7.4969,
7.2041,
7.721
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. N1,N6-dimethylhexane-1,6-dia... | eupmc | base |
t2_carboxylate pillar[6]arene_12 | task2 | D | hexane-1,6-diaminium chloride | [
"N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide",
"Rocuronium",
"Acetylcholine",
"hexane-1,6-diaminium chloride"
] | [
7.1847,
6.1523,
5.2718,
7.4232
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. N1,N1,N1,N4,N4,N4-hexamethyl... | eupmc | base |
t2_carboxylate pillar[6]arene_13 | task2 | D | 1,4-bis(trimethyl-l4-azaneyl)cyclohexane | [
"N1,N6-dimethylhexane-1,6-diaminium chloride",
"Vecuronium",
"1-Adamantylammonium chloride",
"1,4-bis(trimethyl-l4-azaneyl)cyclohexane"
] | [
7.4579,
6.4579,
7.3243,
7.721
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. N1,N6-dimethylhexane-1,6-dia... | eupmc | base |
t2_carboxylate pillar[6]arene_14 | task2 | D | cyclohexane-1,4-diaminium chloride | [
"cyclohexanaminium chloride",
"N,N,N-trimethylhexan-1-aminium bromide",
"Cisatracurium",
"cyclohexane-1,4-diaminium chloride"
] | [
5.6385,
6.1303,
5.0212,
7.2041
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. cyclohexanaminium chloride (... | eupmc | base |
t2_carboxylate pillar[6]arene_15 | task2 | D | N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride | [
"Rocuronium",
"Cadaverine (fully protonated form)",
"cyclohexanaminium chloride",
"N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride"
] | [
6.1523,
6.2989,
5.6385,
7.8241
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. Rocuronium (SMILES: CC(=O)OC... | eupmc | base |
t2_carboxylate pillar[6]arene_16 | task2 | A | Methyl viologen | [
"Methyl viologen",
"N1,N6-dimethylhexane-1,6-diaminium chloride",
"Pancuronium",
"Tetramethylammonium bromide"
] | [
7.4969,
7.4579,
6.1959,
4.9666
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. Methyl viologen (SMILES: C[N... | eupmc | base |
t2_carboxylate pillar[6]arene_17 | task2 | A | 1,4-bis(trimethyl-l4-azaneyl)cyclohexane | [
"1,4-bis(trimethyl-l4-azaneyl)cyclohexane",
"Cisatracurium",
"hexane-1,6-diaminium chloride",
"Methyl viologen"
] | [
7.721,
5.0212,
7.4232,
7.4969
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. 1,4-bis(trimethyl-l4-azaneyl... | eupmc | base |
t2_carboxylate pillar[6]arene_18 | task2 | B | N1,N6-dimethylhexane-1,6-diaminium chloride | [
"1-Adamantylammonium chloride",
"N1,N6-dimethylhexane-1,6-diaminium chloride",
"cyclohexanaminium chloride",
"Rocuronium"
] | [
7.3243,
7.4579,
5.6385,
6.1523
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. 1-Adamantylammonium chloride... | eupmc | base |
t2_carboxylate pillar[6]arene_19 | task2 | D | N1,N6-dimethylhexane-1,6-diaminium chloride | [
"Tetramethylammonium bromide",
"cyclohexane-1,4-diaminium chloride",
"1-Adamantylammonium chloride",
"N1,N6-dimethylhexane-1,6-diaminium chloride"
] | [
4.9666,
7.2041,
7.3243,
7.4579
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. Tetramethylammonium bromide ... | eupmc | base |
t2_carboxylate pillar[6]arene_20 | task2 | D | N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride | [
"Vecuronium",
"N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride",
"Acetylcholine",
"N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride"
] | [
6.4579,
7.6385,
5.2718,
7.8241
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. Vecuronium (SMILES: CC(=O)OC... | eupmc | base |
t2_carboxylate pillar[6]arene_21 | task2 | A | 1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide | [
"1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide",
"Tetramethylammonium bromide",
"N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride",
"N1,N1,N1,N4,N4,N4-hexamethylbutane-1,4-diaminium iodide"
] | [
7.9279,
4.9666,
7.6385,
7.1847
] | carboxylate 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 carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. 1,1'-(1,4-phenylene)bis(N,N,... | eupmc | base |
t2_carboxylated azocalix[4]arene_0 | task2 | C | pirarubicin | [
"(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione",
"Butyl Rhodamine B",
"pirarubicin",
"Camptothecin"
] | [
7.6902,
6.6902,
7.699,
6.301
] | carboxylated azocalix[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 carboxylated azocalix[4]arene in aqueous solution at standard conditions?
A. (7S,9S)-9-acetyl-7-[(2R,4... | eupmc | base |
t2_carboxylated azocalix[4]arene_1 | task2 | D | (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | [
"[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate",
"Oxaliplatin",
"2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine",
"(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-... | [
6.7324,
4.4314,
5.301,
8.2041
] | carboxylated azocalix[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 carboxylated azocalix[4]arene in aqueous solution at standard conditions?
A. [(19S)-10,19-diethyl-19-h... | eupmc | base |
t2_carboxylated azocalix[4]arene_2 | task2 | C | (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | [
"(19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione",
"5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",
"(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy... | [
5.0414,
2.3979,
8.2041,
6.6902
] | carboxylated azocalix[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 carboxylated azocalix[4]arene in aqueous solution at standard conditions?
A. (19S)-19-ethyl-7,19-dihyd... | eupmc | base |
t2_carboxylated azocalix[4]arene_3 | task2 | A | silicon(IV) phthalocyanine | [
"silicon(IV) phthalocyanine",
"4-demethoxydaunorubicin",
"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",
"Oxaliplatin"
] | [
7.7324,
6.7482,
6.2041,
4.4314
] | carboxylated azocalix[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 carboxylated azocalix[4]arene in aqueous solution at standard conditions?
A. silicon(IV) phthalocyanin... | eupmc | base |
t2_carboxylated azocalix[4]arene_4 | task2 | B | Butyl Rhodamine B | [
"2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine",
"Butyl Rhodamine B",
"5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",
"(19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-... | [
5.301,
6.6902,
2.3979,
5.0414
] | carboxylated azocalix[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 carboxylated azocalix[4]arene in aqueous solution at standard conditions?
A. 2-[4-[(Z)-1,2-diphenylbut... | eupmc | base |
t2_carboxylated azocalix[4]arene_5 | task2 | D | Epirubicin | [
"(19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione",
"[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperid... | [
5.0414,
6.7324,
6.2041,
8
] | carboxylated azocalix[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 carboxylated azocalix[4]arene in aqueous solution at standard conditions?
A. (19S)-19-ethyl-7,19-dihyd... | eupmc | base |
t2_carboxylated azocalix[4]arene_6 | task2 | C | pirarubicin | [
"(19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione",
"Camptothecin",
"pirarubicin",
"Oxaliplatin"
] | [
5.0414,
6.301,
7.699,
4.4314
] | carboxylated azocalix[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 carboxylated azocalix[4]arene in aqueous solution at standard conditions?
A. (19S)-19-ethyl-7,19-dihyd... | eupmc | base |
t2_carboxylated azocalix[4]arene_7 | task2 | D | (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | [
"Oxaliplatin",
"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",
"5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl... | [
4.4314,
5.6628,
2.3979,
8.2041
] | carboxylated azocalix[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 carboxylated azocalix[4]arene in aqueous solution at standard conditions?
A. Oxaliplatin (SMILES: C1CC... | eupmc | base |
t2_carboxylated azocalix[4]arene_8 | task2 | A | 4-demethoxydaunorubicin | [
"4-demethoxydaunorubicin",
"5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",
"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-e... | [
6.7482,
2.3979,
6.2041,
6.7324
] | carboxylated azocalix[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 carboxylated azocalix[4]arene in aqueous solution at standard conditions?
A. 4-demethoxydaunorubicin (... | eupmc | base |
t2_carboxylated azocalix[4]arene_9 | task2 | D | Epirubicin | [
"4-demethoxydaunorubicin",
"pirarubicin",
"(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione",
"Epirubicin"
] | [
6.7482,
7.699,
7.6902,
8
] | carboxylated azocalix[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 carboxylated azocalix[4]arene in aqueous solution at standard conditions?
A. 4-demethoxydaunorubicin (... | eupmc | base |
t2_carboxylated azocalix[4]arene_10 | task2 | B | Butyl Rhodamine B | [
"Camptothecin",
"Butyl Rhodamine B",
"(19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione",
"2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine"
] | [
6.301,
6.6902,
5.0414,
5.301
] | carboxylated azocalix[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 carboxylated azocalix[4]arene in aqueous solution at standard conditions?
A. Camptothecin (SMILES: CCC... | eupmc | base |
t2_carboxylated azocalix[4]arene_11 | task2 | C | Epirubicin | [
"Camptothecin",
"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",
"Epirubicin",
"(19S)-19-ethyl-7,19-dihydroxy-17... | [
6.301,
5.6628,
8,
5.0414
] | carboxylated azocalix[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 carboxylated azocalix[4]arene in aqueous solution at standard conditions?
A. Camptothecin (SMILES: CCC... | eupmc | base |
t2_carboxylated azocalix[4]arene_12 | task2 | B | (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | [
"Camptothecin",
"(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione",
"(19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione",
... | [
6.301,
8.2041,
5.0414,
2.3979
] | carboxylated azocalix[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 carboxylated azocalix[4]arene in aqueous solution at standard conditions?
A. Camptothecin (SMILES: CCC... | eupmc | base |
t2_carboxylated azocalix[4]arene_13 | task2 | A | Epirubicin | [
"Epirubicin",
"Oxaliplatin",
"(19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione",
"silicon(IV) phthalocyanine"
] | [
8,
4.4314,
5.0414,
7.7324
] | carboxylated azocalix[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 carboxylated azocalix[4]arene in aqueous solution at standard conditions?
A. Epirubicin.
B. Oxaliplati... | eupmc | base |
t2_carboxylated azocalix[4]arene_14 | task2 | A | pirarubicin | [
"pirarubicin",
"Butyl Rhodamine B",
"(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione",
"5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione"
] | [
7.699,
6.6902,
7.6902,
2.3979
] | carboxylated azocalix[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 carboxylated azocalix[4]arene in aqueous solution at standard conditions?
A. pirarubicin (SMILES: CC1C... | eupmc | base |
t2_cucurbit[10]uril_0 | task2 | B | [{Ru(phen)2}2bb5] 4 | [
"bis(N-(4-(pyridin-2-yl)benzyl)butan-1-aminium)(2,2′-bipyridine)iridium(I)",
"[{Ru(phen)2}2bb5] 4",
"[3,4,7,8-tetramethyl-1,10-phenanthroline][1,7-bis[4(4′-methyl-2,2′-bipyridyl)]heptane]ruthenium(II)",
"Tris(1,10-phenanthroline)iridium(3+)"
] | [
6.699,
9.2788,
6.9956,
7
] | cucurbit[10]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[10]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)... | eupmc | base |
t2_cucurbit[10]uril_1 | task2 | B | [{Ru(phen)2}2bb5] 4 | [
"Tris(1,10-phenanthroline)ruthenium(2+)",
"[{Ru(phen)2}2bb5] 4",
"bis(N-(4-(pyridin-2-yl)benzyl)butan-1-aminium)(2,2′-bipyridine)iridium(I)",
"Tris(bipyridine)ruthenium(II)"
] | [
7.9031,
9.2788,
6.699,
7.1761
] | cucurbit[10]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[10]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)... | eupmc | base |
t2_cucurbit[10]uril_2 | task2 | D | [{Ru(phen)2}2bb5] 4 | [
"bis(N-(4-(pyridin-2-yl)benzyl)butan-1-aminium)(2,2′-bipyridine)iridium(I)",
"Tris(bipyridine)ruthenium(II)",
"[Bis(2-phenylpyridine)]2,2'-bipyridyliridium(I)",
"[{Ru(phen)2}2bb5] 4"
] | [
6.699,
7.1761,
6.8451,
9.2788
] | cucurbit[10]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[10]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)... | eupmc | base |
t2_cucurbit[10]uril_3 | task2 | B | [{Ru(phen)2}2bb5] 4 | [
"Tris(bipyridine)ruthenium(II)",
"[{Ru(phen)2}2bb5] 4",
"Tris(2,2'-bipyridyl)iridium(III)",
"Tris(1,10-phenanthroline)iridium(3+)"
] | [
7.1761,
9.2788,
7,
7
] | cucurbit[10]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[10]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)... | eupmc | base |
t2_cucurbit[10]uril_4 | task2 | A | [{Ru(phen)2}2bb5] 4 | [
"[{Ru(phen)2}2bb5] 4",
"Tris(bipyridine)ruthenium(II)",
"bis(N-(4-(pyridin-2-yl)benzyl)butan-1-aminium)(2,2′-bipyridine)iridium(I)",
"[3,4,7,8-tetramethyl-1,10-phenanthroline][1,7-bis[4(4′-methyl-2,2′-bipyridyl)]heptane]ruthenium(II)"
] | [
9.2788,
7.1761,
6.699,
6.9956
] | cucurbit[10]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[10]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)... | eupmc | base |
t2_cucurbit[10]uril_5 | task2 | B | [{Ru(phen)2}2bb5] 4 | [
"[Bis(2-phenylpyridine)]2,2'-bipyridyliridium(I)",
"[{Ru(phen)2}2bb5] 4",
"Tris(1,10-phenanthroline)iridium(3+)",
"Tris(1,10-phenanthroline)ruthenium(2+)"
] | [
6.8451,
9.2788,
7,
7.9031
] | cucurbit[10]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[10]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)... | eupmc | base |
t2_cucurbit[10]uril_6 | task2 | A | [{Ru(phen)2}2bb5] 4 | [
"[{Ru(phen)2}2bb5] 4",
"Tris(bipyridine)ruthenium(II)",
"bis(N-(4-(pyridin-2-yl)benzyl)butan-1-aminium)(2,2′-bipyridine)iridium(I)",
"Tris(2,2'-bipyridyl)iridium(III)"
] | [
9.2788,
7.1761,
6.699,
7
] | cucurbit[10]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[10]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)... | eupmc | base |
t2_cucurbit[10]uril_7 | task2 | B | Tris(1,10-phenanthroline)ruthenium(2+) | [
"Tris(2,2'-bipyridyl)iridium(III)",
"Tris(1,10-phenanthroline)ruthenium(2+)",
"[Bis(2-phenylpyridine)]2,2'-bipyridyliridium(I)",
"Tris(bipyridine)ruthenium(II)"
] | [
7,
7.9031,
6.8451,
7.1761
] | cucurbit[10]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[10]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)... | eupmc | base |
t2_cucurbit[7]uril-hexaethylene glycol-berberine conjugate_0 | task2 | A | 1-Adamantanol | [
"1-Adamantanol",
"Nortestosterone",
"Spermidine (fully protonated form)",
"Spermine (fully protonated form)"
] | [
8.1271,
4.3171,
4.6064,
3.524
] | cucurbit[7]uril-hexaethylene glycol-berberine conjugate | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[7]uril-hexaethylene glycol-berberine conjugate in aqueous solution at standard conditions?
A.... | eupmc | base |
t2_cucurbit[7]uril-hexaethylene glycol-berberine conjugate_1 | task2 | B | Spermidine (fully protonated form) | [
"Pentane-1,5-diamine",
"Spermidine (fully protonated form)",
"Spermine (fully protonated form)",
"Nortestosterone"
] | [
3.5714,
4.6064,
3.524,
4.3171
] | cucurbit[7]uril-hexaethylene glycol-berberine conjugate | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[7]uril-hexaethylene glycol-berberine conjugate in aqueous solution at standard conditions?
A.... | eupmc | base |
t2_cucurbit[7]uril-hexaethylene glycol-berberine conjugate_2 | task2 | A | 1-Adamantanol | [
"1-Adamantanol",
"Spermine (fully protonated form)",
"Pentane-1,5-diamine",
"Spermidine (fully protonated form)"
] | [
8.1271,
3.524,
3.5714,
4.6064
] | cucurbit[7]uril-hexaethylene glycol-berberine conjugate | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[7]uril-hexaethylene glycol-berberine conjugate in aqueous solution at standard conditions?
A.... | eupmc | base |
t2_cucurbit[7]uril-hexaethylene glycol-berberine conjugate_3 | task2 | D | 1-Adamantanol | [
"1-Adamantanamine",
"Nortestosterone",
"Spermine (fully protonated form)",
"1-Adamantanol"
] | [
7.8908,
4.3171,
3.524,
8.1271
] | cucurbit[7]uril-hexaethylene glycol-berberine conjugate | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[7]uril-hexaethylene glycol-berberine conjugate in aqueous solution at standard conditions?
A.... | eupmc | base |
t2_cucurbit[7]uril-hexaethylene glycol-berberine conjugate_4 | task2 | C | 1-Adamantanamine | [
"Spermine (fully protonated form)",
"Nortestosterone",
"1-Adamantanamine",
"Pentane-1,5-diamine"
] | [
3.524,
4.3171,
7.8908,
3.5714
] | cucurbit[7]uril-hexaethylene glycol-berberine conjugate | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[7]uril-hexaethylene glycol-berberine conjugate in aqueous solution at standard conditions?
A.... | eupmc | base |
t2_cucurbit[7]uril-hexaethylene glycol-berberine conjugate_5 | task2 | D | 1-Adamantanamine | [
"Spermidine (fully protonated form)",
"Nortestosterone",
"Spermine (fully protonated form)",
"1-Adamantanamine"
] | [
4.6064,
4.3171,
3.524,
7.8908
] | cucurbit[7]uril-hexaethylene glycol-berberine conjugate | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[7]uril-hexaethylene glycol-berberine conjugate in aqueous solution at standard conditions?
A.... | eupmc | base |
t2_cucurbit[7]uril-tetraethylene glycol-berberine conjugate_0 | task2 | B | 1-Adamantanol | [
"Spermidine (fully protonated form)",
"1-Adamantanol",
"Pentane-1,5-diamine",
"Nortestosterone"
] | [
4.4942,
7.4579,
3.842,
4.4135
] | cucurbit[7]uril-tetraethylene glycol-berberine conjugate | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[7]uril-tetraethylene glycol-berberine conjugate in aqueous solution at standard conditions?
A... | eupmc | base |
t2_cucurbit[7]uril-tetraethylene glycol-berberine conjugate_1 | task2 | D | 1-Adamantanamine | [
"Spermidine (fully protonated form)",
"1-Adamantanol",
"Spermine (fully protonated form)",
"1-Adamantanamine"
] | [
4.4942,
7.4579,
3.7313,
7.9873
] | cucurbit[7]uril-tetraethylene glycol-berberine conjugate | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[7]uril-tetraethylene glycol-berberine conjugate in aqueous solution at standard conditions?
A... | eupmc | base |
t2_cucurbit[7]uril-tetraethylene glycol-berberine conjugate_2 | task2 | D | 1-Adamantanamine | [
"Pentane-1,5-diamine",
"Spermine (fully protonated form)",
"Spermidine (fully protonated form)",
"1-Adamantanamine"
] | [
3.842,
3.7313,
4.4942,
7.9873
] | cucurbit[7]uril-tetraethylene glycol-berberine conjugate | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[7]uril-tetraethylene glycol-berberine conjugate in aqueous solution at standard conditions?
A... | eupmc | base |
t2_cucurbit[7]uril-tetraethylene glycol-berberine conjugate_3 | task2 | C | 1-Adamantanamine | [
"Spermine (fully protonated form)",
"Nortestosterone",
"1-Adamantanamine",
"Pentane-1,5-diamine"
] | [
3.7313,
4.4135,
7.9873,
3.842
] | cucurbit[7]uril-tetraethylene glycol-berberine conjugate | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[7]uril-tetraethylene glycol-berberine conjugate in aqueous solution at standard conditions?
A... | eupmc | base |
t2_cucurbit[7]uril-tetraethylene glycol-berberine conjugate_4 | task2 | B | 1-Adamantanamine | [
"1-Adamantanol",
"1-Adamantanamine",
"Pentane-1,5-diamine",
"Spermine (fully protonated form)"
] | [
7.4579,
7.9873,
3.842,
3.7313
] | cucurbit[7]uril-tetraethylene glycol-berberine conjugate | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[7]uril-tetraethylene glycol-berberine conjugate in aqueous solution at standard conditions?
A... | eupmc | base |
t2_cucurbit[7]uril-tetraethylene glycol-berberine conjugate_5 | task2 | D | 1-Adamantanamine | [
"Spermidine (fully protonated form)",
"Nortestosterone",
"Pentane-1,5-diamine",
"1-Adamantanamine"
] | [
4.4942,
4.4135,
3.842,
7.9873
] | cucurbit[7]uril-tetraethylene glycol-berberine conjugate | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule cucurbit[7]uril-tetraethylene glycol-berberine conjugate in aqueous solution at standard conditions?
A... | eupmc | base |
t2_dodeca(PEG)bambus[6]uril_0 | task2 | B | Tetrabutylammonium bromide | [
"Tetramethylammonium bromide",
"Tetrabutylammonium bromide",
"Bromide ion",
"Cesium bromide"
] | [
5.1139,
7.3706,
5.1139,
5.1173
] | dodeca(PEG)bambus[6]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule dodeca(PEG)bambus[6]uril in aqueous solution at standard conditions?
A. Tetramethylammonium bromide (S... | eupmc | base |
t2_dodeca(PEG)bambus[6]uril_1 | task2 | D | Cesium bromide | [
"Sodium chloride",
"Tetramethylammonium bromide",
"Bromide ion",
"Cesium bromide"
] | [
3.0792,
5.1139,
5.1139,
5.1173
] | dodeca(PEG)bambus[6]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule dodeca(PEG)bambus[6]uril in aqueous solution at standard conditions?
A. Sodium chloride (SMILES: [Na+]... | eupmc | base |
t2_dodeca(PEG)bambus[6]uril_2 | task2 | B | Sodium iodide | [
"Bromide ion",
"Sodium iodide",
"Tetrabutylammonium bromide",
"Tetramethylammonium bromide"
] | [
5.1139,
7.5051,
7.3706,
5.1139
] | dodeca(PEG)bambus[6]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule dodeca(PEG)bambus[6]uril in aqueous solution at standard conditions?
A. Bromide ion (SMILES: [Br-]).
B... | eupmc | base |
t2_dodeca(PEG)bambus[6]uril_3 | task2 | A | Sodium bromide | [
"Sodium bromide",
"Sodium chloride",
"Tetramethylammonium bromide",
"Bromide ion"
] | [
5.1271,
3.0792,
5.1139,
5.1139
] | dodeca(PEG)bambus[6]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule dodeca(PEG)bambus[6]uril in aqueous solution at standard conditions?
A. Sodium bromide (SMILES: [Na+].... | eupmc | base |
t2_dodeca(PEG)bambus[6]uril_4 | task2 | B | Sodium iodide | [
"Tetrabutylammonium bromide",
"Sodium iodide",
"Tetramethylammonium bromide",
"Cesium bromide"
] | [
7.3706,
7.5051,
5.1139,
5.1173
] | dodeca(PEG)bambus[6]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule dodeca(PEG)bambus[6]uril in aqueous solution at standard conditions?
A. Tetrabutylammonium bromide (SM... | eupmc | base |
t2_dodeca(PEG)bambus[6]uril_5 | task2 | B | Tetrabutylammonium bromide | [
"Cesium bromide",
"Tetrabutylammonium bromide",
"Sodium bromide",
"Sodium chloride"
] | [
5.1173,
7.3706,
5.1271,
3.0792
] | dodeca(PEG)bambus[6]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule dodeca(PEG)bambus[6]uril in aqueous solution at standard conditions?
A. Cesium bromide (SMILES: [Br-].... | eupmc | base |
t2_dodeca(PEG)bambus[6]uril_6 | task2 | B | Sodium iodide | [
"Sodium chloride",
"Sodium iodide",
"Cesium bromide",
"Tetrabutylammonium bromide"
] | [
3.0792,
7.5051,
5.1173,
7.3706
] | dodeca(PEG)bambus[6]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule dodeca(PEG)bambus[6]uril in aqueous solution at standard conditions?
A. Sodium chloride (SMILES: [Na+]... | eupmc | base |
t2_exo-Octa Acid_0 | task2 | C | Adamantan-1-yl-trimethyl-ammonium | [
"(s)-(-)-perillic acid",
"4-Chlorobenzoic acid",
"Adamantan-1-yl-trimethyl-ammonium",
"1-Hexanaminium, N,N,N-trimethyl-chloride"
] | [
2.5,
0.9638,
5.6201,
4.2718
] | exo-Octa Acid | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule exo-Octa Acid in aqueous solution at standard conditions?
A. (s)-(-)-perillic acid (SMILES: CC(=C)C1CC... | eupmc | base |
t2_exo-Octa Acid_1 | task2 | B | Adamantan-1-yl-trimethyl-ammonium | [
"1-Hexanaminium, N,N,N-trimethyl-chloride",
"Adamantan-1-yl-trimethyl-ammonium",
"(s)-(-)-perillic acid",
"trans-4-methylcyclohexyl(trimethyl)ammonium"
] | [
4.2718,
5.6201,
2.5,
5.1206
] | exo-Octa Acid | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule exo-Octa Acid in aqueous solution at standard conditions?
A. 1-Hexanaminium, N,N,N-trimethyl-chloride ... | eupmc | base |
t2_exo-Octa Acid_2 | task2 | D | N,N,N-Trimethyl-2-phenylethan-1-aminium chloride | [
"(s)-(-)-citronellic acid",
"(s)-(-)-perillic acid",
"4-Chlorobenzoic acid",
"N,N,N-Trimethyl-2-phenylethan-1-aminium chloride"
] | [
2.6,
2.5,
0.9638,
4.1004
] | exo-Octa Acid | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule exo-Octa Acid in aqueous solution at standard conditions?
A. (s)-(-)-citronellic acid (SMILES: CC(CCC=... | eupmc | base |
t2_exo-Octa Acid_3 | task2 | A | trans-4-methylcyclohexyl(trimethyl)ammonium | [
"trans-4-methylcyclohexyl(trimethyl)ammonium",
"1-Hexanaminium, N,N,N-trimethyl-chloride",
"(s)-(-)-perillic acid",
"N,N,N-Trimethyl-2-phenylethan-1-aminium chloride"
] | [
5.1206,
4.2718,
2.5,
4.1004
] | exo-Octa Acid | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule exo-Octa Acid in aqueous solution at standard conditions?
A. trans-4-methylcyclohexyl(trimethyl)ammoni... | eupmc | base |
t2_exo-Octa Acid_4 | task2 | C | trans-4-methylcyclohexyl(trimethyl)ammonium | [
"(s)-(-)-citronellic acid",
"1-Hexanaminium, N,N,N-trimethyl-chloride",
"trans-4-methylcyclohexyl(trimethyl)ammonium",
"N,N,N-Trimethyl-2-phenylethan-1-aminium chloride"
] | [
2.6,
4.2718,
5.1206,
4.1004
] | exo-Octa Acid | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule exo-Octa Acid in aqueous solution at standard conditions?
A. (s)-(-)-citronellic acid (SMILES: CC(CCC=... | eupmc | base |
t2_exo-Octa Acid_5 | task2 | D | Adamantan-1-yl-trimethyl-ammonium | [
"(s)-(-)-perillic acid",
"4-Chlorobenzoic acid",
"(s)-(-)-citronellic acid",
"Adamantan-1-yl-trimethyl-ammonium"
] | [
2.5,
0.9638,
2.6,
5.6201
] | exo-Octa Acid | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule exo-Octa Acid in aqueous solution at standard conditions?
A. (s)-(-)-perillic acid (SMILES: CC(=C)C1CC... | eupmc | base |
t2_exo-Octa Acid_6 | task2 | D | Adamantan-1-yl-trimethyl-ammonium | [
"N,N,N-Trimethyl-2-phenylethan-1-aminium chloride",
"4-Chlorobenzoic acid",
"(s)-(-)-perillic acid",
"Adamantan-1-yl-trimethyl-ammonium"
] | [
4.1004,
0.9638,
2.5,
5.6201
] | exo-Octa Acid | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule exo-Octa Acid in aqueous solution at standard conditions?
A. N,N,N-Trimethyl-2-phenylethan-1-aminium c... | eupmc | base |
t2_heptakis-O-(2-hydroxypropyl)-β Cyclodextrin_0 | task2 | C | Neutral red hydrochloride | [
"Methylene Blue",
"7-Methoxycoumarin",
"Neutral red hydrochloride",
"8-(phenylamino)naphthalene-1-sulfonic acid"
] | [
2.5132,
2.0792,
3.0652,
2.6812
] | heptakis-O-(2-hydroxypropyl)-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 heptakis-O-(2-hydroxypropyl)-β Cyclodextrin in aqueous solution at standard conditions?
A. Methylene B... | eupmc | base |
t2_heptakis-O-(2-hydroxypropyl)-β Cyclodextrin_1 | task2 | D | 9-Hydroxyphenylfluoron | [
"7-Methoxycoumarin",
"Methylene Blue",
"8-(phenylamino)naphthalene-1-sulfonic acid",
"9-Hydroxyphenylfluoron"
] | [
2.0792,
2.5132,
2.6812,
4.0966
] | heptakis-O-(2-hydroxypropyl)-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 heptakis-O-(2-hydroxypropyl)-β Cyclodextrin in aqueous solution at standard conditions?
A. 7-Methoxyco... | eupmc | base |
t2_heptakis-O-(2-hydroxypropyl)-β Cyclodextrin_2 | task2 | A | 9-Hydroxyphenylfluoron | [
"9-Hydroxyphenylfluoron",
"Erythrosin B",
"Neutral red hydrochloride",
"8-(phenylamino)naphthalene-1-sulfonic acid"
] | [
4.0966,
2.404,
3.0652,
2.6812
] | heptakis-O-(2-hydroxypropyl)-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 heptakis-O-(2-hydroxypropyl)-β Cyclodextrin in aqueous solution at standard conditions?
A. 9-Hydroxyph... | eupmc | base |
t2_heptakis-O-(2-hydroxypropyl)-β Cyclodextrin_3 | task2 | D | 9-Hydroxyphenylfluoron | [
"Erythrosin B",
"Tetrachlorotetraiodofluorescein",
"Butyl Rhodamine B",
"9-Hydroxyphenylfluoron"
] | [
2.404,
2.382,
2.8875,
4.0966
] | heptakis-O-(2-hydroxypropyl)-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 heptakis-O-(2-hydroxypropyl)-β Cyclodextrin in aqueous solution at standard conditions?
A. Erythrosin ... | eupmc | base |
t2_heptakis-O-(2-hydroxypropyl)-β Cyclodextrin_4 | task2 | B | Neutral red hydrochloride | [
"Tetrachlorotetraiodofluorescein",
"Neutral red hydrochloride",
"Methylene Blue",
"Butyl Rhodamine B"
] | [
2.382,
3.0652,
2.5132,
2.8875
] | heptakis-O-(2-hydroxypropyl)-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 heptakis-O-(2-hydroxypropyl)-β Cyclodextrin in aqueous solution at standard conditions?
A. Tetrachloro... | eupmc | base |
t2_heptakis-O-(2-hydroxypropyl)-β Cyclodextrin_5 | task2 | C | Neutral red hydrochloride | [
"7-Methoxycoumarin",
"Erythrosin B",
"Neutral red hydrochloride",
"Butyl Rhodamine B"
] | [
2.0792,
2.404,
3.0652,
2.8875
] | heptakis-O-(2-hydroxypropyl)-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 heptakis-O-(2-hydroxypropyl)-β Cyclodextrin in aqueous solution at standard conditions?
A. 7-Methoxyco... | eupmc | base |
t2_heptakis-O-(2-hydroxypropyl)-β Cyclodextrin_6 | task2 | C | 9-Hydroxyphenylfluoron | [
"Erythrosin B",
"8-(phenylamino)naphthalene-1-sulfonic acid",
"9-Hydroxyphenylfluoron",
"Tetrachlorotetraiodofluorescein"
] | [
2.404,
2.6812,
4.0966,
2.382
] | heptakis-O-(2-hydroxypropyl)-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 heptakis-O-(2-hydroxypropyl)-β Cyclodextrin in aqueous solution at standard conditions?
A. Erythrosin ... | eupmc | base |
t2_heptakis-O-(2-hydroxypropyl)-β Cyclodextrin_7 | task2 | C | 6-Phenylamino-naphthalene-2-sulfonic acid anion | [
"Erythrosin B",
"8-(phenylamino)naphthalene-1-sulfonic acid",
"6-Phenylamino-naphthalene-2-sulfonic acid anion",
"Butyl Rhodamine B"
] | [
2.404,
2.6812,
3.8573,
2.8875
] | heptakis-O-(2-hydroxypropyl)-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 heptakis-O-(2-hydroxypropyl)-β Cyclodextrin in aqueous solution at standard conditions?
A. Erythrosin ... | eupmc | base |
t2_heptakis-O-(2-hydroxypropyl)-β Cyclodextrin_8 | task2 | B | Neutral red hydrochloride | [
"8-(phenylamino)naphthalene-1-sulfonic acid",
"Neutral red hydrochloride",
"Methylene Blue",
"Butyl Rhodamine B"
] | [
2.6812,
3.0652,
2.5132,
2.8875
] | heptakis-O-(2-hydroxypropyl)-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 heptakis-O-(2-hydroxypropyl)-β Cyclodextrin in aqueous solution at standard conditions?
A. 8-(phenylam... | eupmc | base |
t2_hexasodium p-sulfonatocalix[6]arene_0 | task2 | A | glycyl-L-phenylalanine | [
"glycyl-L-phenylalanine",
"Glycyl-l-leucine",
"L-Leucylglycine",
"Trimethylglycine"
] | [
3.28,
3.19,
3.21,
2.42
] | hexasodium 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 hexasodium p-sulfonatocalix[6]arene in aqueous solution at standard conditions?
A. glycyl-L-phenylalan... | eupmc | base |
t2_hexasodium p-sulfonatocalix[6]arene_1 | task2 | B | Acetylcholine | [
"Fluconazole",
"Acetylcholine",
"L-leucyl-l-alanine",
"glycyl-L-phenylalanine"
] | [
2.3802,
3.73,
3.16,
3.28
] | hexasodium 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 hexasodium p-sulfonatocalix[6]arene in aqueous solution at standard conditions?
A. Fluconazole.
B. Ace... | eupmc | base |
t2_hexasodium p-sulfonatocalix[6]arene_2 | task2 | C | glycyl-L-phenylalanine | [
"Acetyl-D/L-Carnitine",
"Glycyl-l-valine",
"glycyl-L-phenylalanine",
"L-leucyl-l-alanine"
] | [
2.7497,
3.21,
3.28,
3.16
] | hexasodium 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 hexasodium p-sulfonatocalix[6]arene in aqueous solution at standard conditions?
A. Acetyl-D/L-Carnitin... | eupmc | base |
t2_hexasodium p-sulfonatocalix[6]arene_3 | task2 | A | Benzyltrimethylammonium chloride | [
"Benzyltrimethylammonium chloride",
"Glycyl-l-valine",
"Triglycine",
"Fluconazole"
] | [
3.64,
3.21,
3.25,
2.3802
] | hexasodium 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 hexasodium p-sulfonatocalix[6]arene in aqueous solution at standard conditions?
A. Benzyltrimethylammo... | eupmc | base |
t2_hexasodium p-sulfonatocalix[6]arene_4 | task2 | C | glycyl-L-phenylalanine | [
"Fluconazole",
"L-Leucylglycine",
"glycyl-L-phenylalanine",
"Acetyl-D/L-Carnitine"
] | [
2.3802,
3.21,
3.28,
2.7497
] | hexasodium 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 hexasodium p-sulfonatocalix[6]arene in aqueous solution at standard conditions?
A. Fluconazole.
B. L-L... | eupmc | base |
t2_hexasodium p-sulfonatocalix[6]arene_5 | task2 | A | Acetylcholine | [
"Acetylcholine",
"L-Leucylglycine",
"Glycyl-l-valine",
"Acetyl-D/L-Carnitine"
] | [
3.73,
3.21,
3.21,
2.7497
] | hexasodium 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 hexasodium p-sulfonatocalix[6]arene in aqueous solution at standard conditions?
A. Acetylcholine (SMIL... | eupmc | base |
t2_hexasodium p-sulfonatocalix[6]arene_6 | task2 | A | Leucyl-glycyl-glycine | [
"Leucyl-glycyl-glycine",
"Glycyl-l-valine",
"Fluconazole",
"Trimethylglycine"
] | [
3.22,
3.21,
2.3802,
2.42
] | hexasodium 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 hexasodium p-sulfonatocalix[6]arene in aqueous solution at standard conditions?
A. Leucyl-glycyl-glyci... | eupmc | base |
t2_hexasodium p-sulfonatocalix[6]arene_7 | task2 | C | Acetylcholine | [
"Triglycine",
"Glycylglycine",
"Acetylcholine",
"Trimethylglycine"
] | [
3.25,
3.3,
3.73,
2.42
] | hexasodium 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 hexasodium p-sulfonatocalix[6]arene in aqueous solution at standard conditions?
A. Triglycine (SMILES:... | eupmc | base |
t2_hexasodium p-sulfonatocalix[6]arene_8 | task2 | A | Acetylcholine | [
"Acetylcholine",
"Trimethylglycine",
"Glycyl-l-leucine",
"glycyl-L-phenylalanine"
] | [
3.73,
2.42,
3.19,
3.28
] | hexasodium 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 hexasodium p-sulfonatocalix[6]arene in aqueous solution at standard conditions?
A. Acetylcholine (SMIL... | eupmc | base |
t2_hexasodium p-sulfonatocalix[6]arene_9 | task2 | C | glycyl-L-phenylalanine | [
"Trimethylglycine",
"Triglycine",
"glycyl-L-phenylalanine",
"Fluconazole"
] | [
2.42,
3.25,
3.28,
2.3802
] | hexasodium 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 hexasodium p-sulfonatocalix[6]arene in aqueous solution at standard conditions?
A. Trimethylglycine (S... | eupmc | base |
t2_hexasodium p-sulfonatocalix[6]arene_10 | task2 | C | glycyl-L-phenylalanine | [
"Trimethylglycine",
"Acetyl-D/L-Carnitine",
"glycyl-L-phenylalanine",
"Fluconazole"
] | [
2.42,
2.7497,
3.28,
2.3802
] | hexasodium 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 hexasodium p-sulfonatocalix[6]arene in aqueous solution at standard conditions?
A. Trimethylglycine (S... | eupmc | base |
t2_hexasodium p-sulfonatocalix[6]arene_11 | task2 | A | Benzyltrimethylammonium chloride | [
"Benzyltrimethylammonium chloride",
"Glycyl-l-leucine",
"Triglycine",
"Fluconazole"
] | [
3.64,
3.19,
3.25,
2.3802
] | hexasodium 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 hexasodium p-sulfonatocalix[6]arene in aqueous solution at standard conditions?
A. Benzyltrimethylammo... | eupmc | base |
t2_hexasodium p-sulfonatocalix[6]arene_12 | task2 | B | Triglycine | [
"Acetyl-D/L-Carnitine",
"Triglycine",
"Leucyl-glycyl-glycine",
"L-leucyl-l-alanine"
] | [
2.7497,
3.25,
3.22,
3.16
] | hexasodium 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 hexasodium p-sulfonatocalix[6]arene in aqueous solution at standard conditions?
A. Acetyl-D/L-Carnitin... | eupmc | base |
t2_hexasodium p-sulfonatocalix[6]arene_13 | task2 | A | Glycyl-l-alanine | [
"Glycyl-l-alanine",
"Glycyl-l-leucine",
"L-leucyl-l-alanine",
"Trimethylglycine"
] | [
3.47,
3.19,
3.16,
2.42
] | hexasodium 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 hexasodium p-sulfonatocalix[6]arene in aqueous solution at standard conditions?
A. Glycyl-l-alanine (S... | eupmc | base |
t2_o-Xylyleneglycoluriltetramer_0 | task2 | A | 6-Azaniumylhexylazanium | [
"6-Azaniumylhexylazanium",
"1,1'-Methyl-4,4'-bispyridinium ethylene",
"1,4-Butanediammonium",
"Pentylamine (protonated form)"
] | [
5.2041,
4.4279,
3.7482,
3.1139
] | o-Xylyleneglycoluriltetramer | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule o-Xylyleneglycoluriltetramer in aqueous solution at standard conditions?
A. 6-Azaniumylhexylazanium (S... | eupmc | base |
t2_o-Xylyleneglycoluriltetramer_1 | task2 | C | Cadaverine (fully protonated form) | [
"1,4-Butanediammonium",
"1,1'-Methyl-4,4'-bispyridinium ethylene",
"Cadaverine (fully protonated form)",
"Methyl viologen"
] | [
3.7482,
4.4279,
4.7853,
3.5682
] | o-Xylyleneglycoluriltetramer | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule o-Xylyleneglycoluriltetramer in aqueous solution at standard conditions?
A. 1,4-Butanediammonium (SMIL... | eupmc | base |
t2_o-Xylyleneglycoluriltetramer_2 | task2 | B | 6-Azaniumylhexylazanium | [
"Methyl viologen",
"6-Azaniumylhexylazanium",
"1,1'-Methyl-4,4'-bispyridinium ethylene",
"Pentylamine (protonated form)"
] | [
3.5682,
5.2041,
4.4279,
3.1139
] | o-Xylyleneglycoluriltetramer | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule o-Xylyleneglycoluriltetramer in aqueous solution at standard conditions?
A. Methyl viologen (SMILES: C... | eupmc | base |
t2_o-Xylyleneglycoluriltetramer_3 | task2 | C | Cadaverine (fully protonated form) | [
"Methyl viologen",
"1,1'-Methyl-4,4'-bispyridinium ethylene",
"Cadaverine (fully protonated form)",
"Pentylamine (protonated form)"
] | [
3.5682,
4.4279,
4.7853,
3.1139
] | o-Xylyleneglycoluriltetramer | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule o-Xylyleneglycoluriltetramer in aqueous solution at standard conditions?
A. Methyl viologen (SMILES: C... | eupmc | base |
t2_o-Xylyleneglycoluriltetramer_4 | task2 | D | 6-Azaniumylhexylazanium | [
"Methyl viologen",
"1,1'-Methyl-4,4'-bispyridinium ethylene",
"1,4-Butanediammonium",
"6-Azaniumylhexylazanium"
] | [
3.5682,
4.4279,
3.7482,
5.2041
] | o-Xylyleneglycoluriltetramer | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule o-Xylyleneglycoluriltetramer in aqueous solution at standard conditions?
A. Methyl viologen (SMILES: C... | eupmc | base |
t2_o-Xylyleneglycoluriltetramer_5 | task2 | D | 6-Azaniumylhexylazanium | [
"1,1'-Methyl-4,4'-bispyridinium ethylene",
"Pentylamine (protonated form)",
"Cadaverine (fully protonated form)",
"6-Azaniumylhexylazanium"
] | [
4.4279,
3.1139,
4.7853,
5.2041
] | o-Xylyleneglycoluriltetramer | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule o-Xylyleneglycoluriltetramer in aqueous solution at standard conditions?
A. 1,1'-Methyl-4,4'-bispyridi... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_0 | task2 | A | norfloxacin | [
"norfloxacin",
"Diethyl methylphosphonate",
"D/L-Aspartic acid",
"Pinacolyl methylphosphonic acid"
] | [
4.0755,
1.5232,
2.7093,
1.301
] | 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_1 | task2 | D | N6-Trimethyllysine | [
"Methylguanidinium",
"D/L-Proline",
"ethylguanidinium",
"N6-Trimethyllysine"
] | [
3.04,
3.1045,
3.26,
4.3615
] | 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 |
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