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_Cucurbit[8]uril_138 | task2 | D | 3-(2,3,5,6-tetrafluorobenzyl)-1-vinyl-1H-imidazol-3-ium | [
"Oglufanide",
"Zinc chloride",
"Met-Arg-Gly-Gly-Tyr",
"3-(2,3,5,6-tetrafluorobenzyl)-1-vinyl-1H-imidazol-3-ium"
] | [
4.86,
2.67,
5.6776,
5.9401
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_139 | task2 | B | bis(dimethylpyridinium)diarylethene (open form) | [
"Acetaminophen",
"bis(dimethylpyridinium)diarylethene (open form)",
"Cetrimonium bromide",
"cis-azobenzene-TEG"
] | [
3.8451,
7.3662,
6.0212,
3
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_140 | task2 | C | Dodecane-trimethylamine | [
"Dopamine",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Dodecane-trimethylamine",
"1,3-Dihydroxybenzene"
] | [
6,
4.2041,
6.4472,
3.716
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_141 | task2 | B | Decyltrimethylammonium bromide | [
"Dodecyltrimethylammonium bromide",
"Decyltrimethylammonium bromide",
"Aluminum trichloride",
"1,1'-di-p-tolyl-[4,4'-bipyridine]-1,1'-diium"
] | [
6.4472,
6.6812,
2.9,
6.3424
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_142 | task2 | D | 1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium | [
"1-methyl-3-[[4-[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]phenyl]methyl]imidazol-1-ium",
"L-methionyl-L-lysylglycylglycyl-L-tyrosine",
"1,1'-bis(4-aminophenyl)-[4,4'-bipyridine]-1,1'-diium",
"1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium"
] | [
5.2967,
6.3766,
5.8261,
6.5911
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_143 | task2 | C | pentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-4-ol | [
"Dopamine",
"3-Methoxy-2-naphthol",
"pentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-4-ol",
"propanil"
] | [
6,
5.2041,
6.885,
3.9031
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_144 | task2 | B | 6-Methyl-6-dehydro-17alpha-acetoxyprogesterone | [
"(Aminomethyl)trimethylsilane",
"6-Methyl-6-dehydro-17alpha-acetoxyprogesterone",
"Strontium chloride hexahydrate",
"Ytterbium(III) chloride"
] | [
1,
7.2041,
3.63,
3.44
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_145 | task2 | A | Tropicamide (protonated) | [
"Tropicamide (protonated)",
"biphenyl-polyethylene glycol monomethyl ether polymer",
"L-tyrosyl-L-alanyl-L-leucine",
"Ytterbium(III) chloride"
] | [
6.6021,
4.9064,
4.4683,
3.44
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_146 | task2 | C | Tri-Trp Gly4 target | [
"2,7-dimethyldiazapyrenium",
"1,1'-diphenyl-[4,4'-bipyridine]-1,1'-diium",
"Tri-Trp Gly4 target",
"Biphenyl-polyethylene-glycol-polymer"
] | [
5.9368,
6.4624,
6.6721,
4.1348
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_147 | task2 | A | 1-Methyl-4-(pyridin-4-yl)pyridinium | [
"1-Methyl-4-(pyridin-4-yl)pyridinium",
"6-Methoxy-2-naphthol",
"2-napthyl-NHCOO-5kPEGOMe",
"rotenone"
] | [
10.2304,
5.7033,
5.1131,
3.6812
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_148 | task2 | B | Coumarin 30 neutral | [
"Vecuronium",
"Coumarin 30 neutral",
"3-benzyl-1-vinyl-1H-imidazol-3-ium",
"3-Chlorophenol"
] | [
9.7924,
11.1644,
5.3948,
4.7782
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_149 | task2 | B | Geranylamine | [
"Mono-Trp Gly6 target",
"Geranylamine",
"bis(dimethylpyridinium)diarylethene (open form)",
"3-trimethylsilylpropionic -2,2,3,3-d4-acid"
] | [
4.2517,
8.9018,
7.3662,
1
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_150 | task2 | C | 4,6-bis[4-(aminomethyl)anilino]-1H-1,3,5-triazin-2-one | [
"Anthracene-polyethylene-glycol-polymer",
"DBF-NHCOO-5kPEG-OMe",
"4,6-bis[4-(aminomethyl)anilino]-1H-1,3,5-triazin-2-one",
"1,1'-bis(4-(ethoxycarbonyl)phenyl)-[4,4'-bipyridine]-1,1'-diium"
] | [
3.7727,
5.092,
10.7619,
6.2788
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_151 | task2 | C | Anthracene-polyethylene-glycol-polymer | [
"Lithium chloride",
"Copper chloride",
"Anthracene-polyethylene-glycol-polymer",
"2-(2,5-dihydroxyphenyl)acetic acid"
] | [
1.69,
2.86,
3.7727,
2.1461
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_152 | task2 | A | 4-Nitro-D-phenylalanine | [
"4-Nitro-D-phenylalanine",
"Anthracene-polyethylene-glycol-polymer",
"Dopamine hydrochloride",
"naproxen"
] | [
4.699,
3.7727,
3,
3.301
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_153 | task2 | A | (Trimethylamino)methyl)ferrocene | [
"(Trimethylamino)methyl)ferrocene",
"Testosterone",
"Copper chloride",
"1,2-Dihydroxybenzene"
] | [
9.9138,
8.0414,
2.86,
4.1505
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_154 | task2 | C | 2-naphthyl-polyethylene glycol monomethyl ether polymer | [
"Acetone",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"2-naphthyl-polyethylene glycol monomethyl ether polymer",
"ceftazidime"
] | [
3.4377,
4.2041,
4.6173,
3
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_155 | task2 | D | Thiazole orange | [
"N,N′-dimethyldipyridyliumethylene",
"Dodecyltrimethylammonium bromide",
"3-Methoxy-2-naphthol",
"Thiazole orange"
] | [
5.7033,
6.4472,
5.2041,
11.7782
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_156 | task2 | A | Berberine chloride | [
"Berberine chloride",
"4-Chlorophenol",
"Mono-methyl viologen Gly6 scaffold",
"L-phenylalanyl-L-valine"
] | [
7.0185,
4.1139,
6.301,
6.1611
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_157 | task2 | C | L-methionyl-L-leucylglycylglycyl-L-tyrosine | [
"L-phenylalanyl-L-valine",
"Oxazine 1",
"L-methionyl-L-leucylglycylglycyl-L-tyrosine",
"Benzimidazole"
] | [
6.1611,
5.7559,
6.5224,
3.8751
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_158 | task2 | D | (Ferrocen-1-yl)methyltrimethylammonium | [
"1,1'-bis(3-aminopropyl)-4,4'-bipyridinium",
"5-Methoxyindole",
"Pancuronium",
"(Ferrocen-1-yl)methyltrimethylammonium"
] | [
6.8573,
4.6628,
8.301,
9.4942
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_159 | task2 | B | L-tyrosyl-L-leucyl-L-alanine | [
"Corticosterone",
"L-tyrosyl-L-leucyl-L-alanine",
"Cyclopentanone",
"1,3-Benzodioxol-5-ol"
] | [
7.1139,
8.143,
3.0414,
4.3116
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_160 | task2 | D | beta-Estradiol | [
"Calcium chloride",
"alanylmethionyltyrosine",
"Benzimidazole",
"beta-Estradiol"
] | [
3.31,
5.2148,
3.8751,
6.2788
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_161 | task2 | B | Prednisolone | [
"Tetrahydrofuran",
"Prednisolone",
"glycylglycyl-L-tryptophylglycylglycine",
"2-naphthyl-polyethylene glycol monomethyl ether polymer"
] | [
4.0814,
6.1482,
4.3979,
4.6173
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_162 | task2 | D | Leu-Met-Gly-Gly-Tyr | [
"naphthalene",
"2,2,6,6-tetramethyl-4-(methylamino)cyclohexan-1-one",
"1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]naphthalen-2-yl]methyl]imidazol-1-ium",
"Leu-Met-Gly-Gly-Tyr"
] | [
4.645,
6.1246,
6.5539,
6.7959
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_163 | task2 | B | 1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium | [
"Cetrimonium bromide",
"1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium",
"L-Aspartyl-L-phenylalanine",
"6-Methoxy-2-naphthol"
] | [
6.0212,
6.5911,
3.3741,
5.7033
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_164 | task2 | D | Hydrocortisone | [
"Aluminum trichloride",
"1-methyl-3-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium",
"Met-Lys-Val-Gly-Tyr",
"Hydrocortisone"
] | [
2.9,
6.29,
5.2148,
6.6021
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_165 | task2 | C | (Ferrocen-1-yl)methyltrimethylammonium | [
"DBF-NHCOO-5kPEG-OMe",
"Beta-estradiol 3-benzoate",
"(Ferrocen-1-yl)methyltrimethylammonium",
"Lanthanum chloride heptahydrate"
] | [
5.092,
6.2553,
9.4942,
3.76
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_166 | task2 | A | Mono-methyl viologen Gly6 scaffold | [
"Mono-methyl viologen Gly6 scaffold",
"Dibenzofuran-polyethylene-glycol-polymer-2",
"Copper chloride",
"Potassium chloride"
] | [
6.301,
5.4331,
2.86,
2.66
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_167 | task2 | C | di-methyl viologen gly4 scaffold | [
"ceftazidime",
"Dibenzofuran-polyethylene-glycolpolymer",
"di-methyl viologen gly4 scaffold",
"L-phenylalanyl-L-valine"
] | [
3,
4.5085,
6.3424,
6.1611
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_168 | task2 | A | 4,6-bis[4-(aminomethyl)anilino]-1H-1,3,5-triazin-2-one | [
"4,6-bis[4-(aminomethyl)anilino]-1H-1,3,5-triazin-2-one",
"beta-Estradiol",
"Ranitidine",
"Diethyl ether"
] | [
10.7619,
6.2788,
3.301,
3.7501
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_169 | task2 | D | Leu-Met-Gly-Gly-Tyr | [
"Epinephrine,L-Adrenaline",
"1,3-Benzodioxol-5-ol",
"Oglufanide",
"Leu-Met-Gly-Gly-Tyr"
] | [
3,
4.3116,
4.86,
6.7959
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_170 | task2 | C | 1,1'-bis(4-cyanophenyl)-[4,4'-bipyridine]-1,1'-diium | [
"Mono-methyl viologen Gly4 scaffold",
"Ala-Lys-Trp-Ala-Ala",
"1,1'-bis(4-cyanophenyl)-[4,4'-bipyridine]-1,1'-diium",
"quinoline"
] | [
6.3222,
4.2304,
6.3979,
3.3424
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_171 | task2 | C | Corticosterone | [
"Leu-Met-Gly-Gly-Tyr",
"Glycyl-phenylalanine",
"Corticosterone",
"2-Naphthyl-polyethylene-glycol-polymer"
] | [
6.7959,
3.8451,
7.1139,
5.6513
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_172 | task2 | C | Spironolactone | [
"chloramphenicol",
"1,1'-bis(4-aminophenyl)-[4,4'-bipyridine]-1,1'-diium",
"Spironolactone",
"Ytterbium(III) chloride"
] | [
3,
5.8261,
6,
3.44
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_173 | task2 | B | 1-Adamantanol | [
"1-methyl-3-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium",
"1-Adamantanol",
"benzene-1,3,5-triol",
"1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium"
] | [
6.29,
6.8654,
2.5852,
6.5911
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_174 | task2 | D | Estriol | [
"Hydroquinone",
"Dibenzofuran-polyethylene-glycol-polymer-2",
"2-Naphthyl-polyethylene-glycol-polymer",
"Estriol"
] | [
3.7873,
5.4331,
5.6513,
5.9031
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_175 | task2 | B | 3,5-Dimethyladamantan-1-aminium | [
"Rubidium chloride",
"3,5-Dimethyladamantan-1-aminium",
"Mono-methyl viologen Gly6 scaffold",
"2,7-dimethyldiazapyrenium"
] | [
2.64,
12.0414,
6.301,
5.9368
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_176 | task2 | C | Vecuronium | [
"Octyltrimethylammonium bromide",
"1,1'-bis(4-(ethoxycarbonyl)phenyl)-[4,4'-bipyridine]-1,1'-diium",
"Vecuronium",
"Epinephrine,L-Adrenaline"
] | [
6.017,
6.2788,
9.7924,
3
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_177 | task2 | B | Adamantan-1-yl-trimethyl-ammonium | [
"Dodecane-trimethylamine",
"Adamantan-1-yl-trimethyl-ammonium",
"Testosterone",
"L-Tyrosyl-L-Lysyl-L-Alanine"
] | [
6.4472,
10.9868,
8.0414,
6.699
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_178 | task2 | C | Camphor | [
"2,7-Dihydroxynaphthalene",
"3-Methoxyphenol",
"Camphor",
"2,7-dimethyldiazapyrenium"
] | [
5.2272,
3.8062,
7.4843,
5.9368
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_179 | task2 | A | Coumarin 30 neutral | [
"Coumarin 30 neutral",
"1-Adamantanamine",
"1,4-dimethoxybenzene",
"3-Hydroxyadamantan-1-aminium"
] | [
11.1644,
8.9133,
3.6335,
7.1461
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_180 | task2 | A | 1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]naphthalen-2-yl]methyl]imidazol-1-ium | [
"1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]naphthalen-2-yl]methyl]imidazol-1-ium",
"Estrone",
"4-Fluorophenol",
"Tryptophol"
] | [
6.5539,
6.3979,
3.8325,
4.2553
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_181 | task2 | D | Cetrimonium bromide | [
"Benzimidazole",
"(6E,9E,16E,19E)-1,5,15(1,4),11(4,1)-tetrapyridin-1-iuma-3,8,13,18(1,4)-tetrabenzenacycloicosaphane-6,9,16,19-tetraene-11,51,111,151-tetraium",
"L-Phenylalanine",
"Cetrimonium bromide"
] | [
3.8751,
5.2157,
3.6811,
6.0212
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_182 | task2 | B | ((Dimethylamino)methyl)ferrocene | [
"Sodium chloride",
"((Dimethylamino)methyl)ferrocene",
"3-(3,4,5-trifluorobenzyl)-1-vinyl-1H-imidazol-3-ium",
"17-alpha-Ethinyl estradiol"
] | [
2.49,
9.8388,
5.9931,
6.2553
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_183 | task2 | A | Camphor | [
"Camphor",
"Isodoxa",
"L-tyrosyl-L-alanyl-L-leucine",
"Benzene"
] | [
7.4843,
5.3096,
4.4683,
3.6021
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_184 | task2 | D | 1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium | [
"3-benzyl-1-vinyl-1H-imidazol-3-ium",
"2-Naphthyl-polyethylene-glycol-polymer",
"Methyl viologen",
"1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium"
] | [
5.3948,
5.6513,
5.6914,
6.5911
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_185 | task2 | D | Coumarin 6 | [
"Perylene",
"Somatostatin",
"Biphenyl-Polyethylene-Glycol-Polymer-2",
"Coumarin 6"
] | [
5.7924,
4.2304,
5.1515,
11.9191
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_186 | task2 | A | 3-Hydroxyadamantan-1-aminium | [
"3-Hydroxyadamantan-1-aminium",
"2,2,6,6-tetramethyl-4-(methylamino)cyclohexan-1-one",
"benzene-1,3,5-triol",
"Tetramethyl benzobis (imidazolium)"
] | [
7.1461,
6.1246,
2.5852,
5.6233
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_187 | task2 | C | 1-(1-Adamantyl)pyridinium bromide | [
"Ampicillin",
"Lys-Ala-Trp-Ala-Ala",
"1-(1-Adamantyl)pyridinium bromide",
"Dopamine hydrochloride"
] | [
3,
3.7924,
9.301,
3
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_188 | task2 | A | Berberine chloride | [
"Berberine chloride",
"Copper chloride",
"Coptisine",
"Fluorenyl-polyethylene-glycol-polymer"
] | [
7.0185,
2.86,
4.1004,
5.5207
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_189 | task2 | A | bis(dimethylpyridinium)diarylethene (open form) | [
"bis(dimethylpyridinium)diarylethene (open form)",
"(S)-(-)-Propranolol hydrochloride",
"1,1'-diphenyl-[4,4'-bipyridine]-1,1'-diium",
"L-Tyrosyl-L-Phenylalanyl-L-alanine"
] | [
7.3662,
3.9375,
6.4624,
6.5378
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_190 | task2 | C | 1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium | [
"naphthalene",
"L-Tyrosyl-L-methionyl-L-alanine",
"1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium",
"Cesium chloride, Caesium chloride"
] | [
4.645,
5.8859,
6.5911,
2.55
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_191 | task2 | D | Coumarin 30 neutral | [
"L-tyrosyl-L-alanyl-L-leucine",
"Di-Trp Gly4 target",
"1-Adamantanol",
"Coumarin 30 neutral"
] | [
4.4683,
5.7197,
6.8654,
11.1644
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_192 | task2 | C | 1-(1-Adamantyl)pyridinium bromide | [
"Zinc chloride",
"Cholic acid",
"1-(1-Adamantyl)pyridinium bromide",
"D/L-Adrenaline"
] | [
2.67,
5.2899,
9.301,
3
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_193 | task2 | B | Phe-Gly-Gly | [
"((Dimethylamino)methyl)ferrocene",
"Phe-Gly-Gly",
"1,7-Dihydroxynaphthalene",
"Estriol"
] | [
9.8388,
11.1761,
4.7324,
5.9031
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_194 | task2 | C | 1,1'-bis(4-(ethoxycarbonyl)phenyl)-[4,4'-bipyridine]-1,1'-diium | [
"Dibenzofuran-polyethylene-glycolpolymer",
"Mono-Trp Gly4 target",
"1,1'-bis(4-(ethoxycarbonyl)phenyl)-[4,4'-bipyridine]-1,1'-diium",
"Phenyl-β-D-glucopyranoside"
] | [
4.5085,
4.2675,
6.2788,
5.0207
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_195 | task2 | D | Mono-methyl viologen Gly4 scaffold | [
"Gly-Gly-Trp",
"Cholesterol",
"3-benzyl-1-vinyl-1H-imidazol-3-ium",
"Mono-methyl viologen Gly4 scaffold"
] | [
3.5521,
5,
5.3948,
6.3222
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_196 | task2 | B | 1,1'-di-p-tolyl-[4,4'-bipyridine]-1,1'-diium | [
"2-Chlorophenol",
"1,1'-di-p-tolyl-[4,4'-bipyridine]-1,1'-diium",
"3-(2,3,5,6-tetrafluorobenzyl)-1-vinyl-1H-imidazol-3-ium",
"1-NAPTHYL-NHCOO-5KPEGOME"
] | [
4.8976,
6.3424,
5.9401,
4.3295
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_197 | task2 | A | 1-(1-Adamantyl)pyridinium bromide | [
"1-(1-Adamantyl)pyridinium bromide",
"2-Cyanophenol",
"1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]naphthalen-2-yl]methyl]imidazol-1-ium",
"L-Tryptophanamide"
] | [
9.301,
3.4403,
6.5539,
5.9685
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_198 | task2 | B | Fenchol | [
"1-Hydroxynaphthalene",
"Fenchol",
"1,6-Dihydroxynaphthalene",
"2-Naphthyl-polyethylene-glycol-polymer"
] | [
5.6021,
8.5051,
4.8808,
5.6513
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_199 | task2 | A | 6-Methyl-6-dehydro-17alpha-acetoxyprogesterone | [
"6-Methyl-6-dehydro-17alpha-acetoxyprogesterone",
"pentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-4-ol",
"Decyltrimethylammonium bromide",
"Ytterbium(III) chloride"
] | [
7.2041,
6.885,
6.6812,
3.44
] | Cucurbit[8]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[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate)_0 | task2 | D | Indole | [
"L-Noradrenaline",
"Dopamine",
"Serotonin",
"Indole"
] | [
3.1703,
3.0294,
3.1903,
3.8525
] | Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) (SMILES: C1C2=CC=C(C[N+]3=CC=C(C=C3)C4=C... | eupmc | base |
t2_Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate)_1 | task2 | B | 1,2-Dihydroxybenzene | [
"Serotonin",
"1,2-Dihydroxybenzene",
"Epinephrine,L-Adrenaline",
"L-Noradrenaline"
] | [
3.1903,
3.5855,
2.7782,
3.1703
] | Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) (SMILES: C1C2=CC=C(C[N+]3=CC=C(C=C3)C4=C... | eupmc | base |
t2_Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate)_2 | task2 | D | Indole | [
"1,2-Dihydroxybenzene",
"L-Noradrenaline",
"Dopamine",
"Indole"
] | [
3.5855,
3.1703,
3.0294,
3.8525
] | Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) (SMILES: C1C2=CC=C(C[N+]3=CC=C(C=C3)C4=C... | eupmc | base |
t2_Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate)_3 | task2 | A | 1,2-Dihydroxybenzene | [
"1,2-Dihydroxybenzene",
"Dopamine",
"L-Noradrenaline",
"Serotonin"
] | [
3.5855,
3.0294,
3.1703,
3.1903
] | Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) (SMILES: C1C2=CC=C(C[N+]3=CC=C(C=C3)C4=C... | eupmc | base |
t2_Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate)_4 | task2 | A | Indole | [
"Indole",
"Dopamine",
"1,2-Dihydroxybenzene",
"Serotonin"
] | [
3.8525,
3.0294,
3.5855,
3.1903
] | Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) (SMILES: C1C2=CC=C(C[N+]3=CC=C(C=C3)C4=C... | eupmc | base |
t2_Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate)_5 | task2 | B | Indole | [
"1,2-Dihydroxybenzene",
"Indole",
"Serotonin",
"Epinephrine,L-Adrenaline"
] | [
3.5855,
3.8525,
3.1903,
2.7782
] | Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) (SMILES: C1C2=CC=C(C[N+]3=CC=C(C=C3)C4=C... | eupmc | base |
t2_Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane_0 | task2 | D | 2-methylisoquinolin-2-ium | [
"Tetramethylammonium iodide",
"Acetylcholine chloride",
"Isoquinoline",
"2-methylisoquinolin-2-ium"
] | [
3.8129,
3.8129,
3.3222,
5.301
] | Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane in aqueous solution at standar... | eupmc | base |
t2_Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane_1 | task2 | B | N-Methyl codeine | [
"Tetrabutylammonium iodide",
"N-Methyl codeine",
"Codeine",
"Acetylcholine chloride"
] | [
4.9956,
6.4314,
4.3385,
3.8129
] | Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane in aqueous solution at standar... | eupmc | base |
t2_Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane_2 | task2 | B | N-Methyl codeine | [
"1-Azatricyclo[3.3.3.0]undecan-1-ylium chloride",
"N-Methyl codeine",
"2-methylisoquinolin-2-ium",
"(6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium"
] | [
4.6021,
6.4314,
5.301,
5.5185
] | Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane in aqueous solution at standar... | eupmc | base |
t2_Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane_3 | task2 | B | (6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium | [
"Codeine",
"(6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium",
"Morphine",
"Acetylcholine chloride"
] | [
4.3385,
5.5185,
4.2833,
3.8129
] | Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane in aqueous solution at standar... | eupmc | base |
t2_Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane_4 | task2 | A | N-Methyl thebaine | [
"N-Methyl thebaine",
"Codeine",
"(6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium",
"Tetraethylammonium iodide"
] | [
6.2274,
4.3385,
5.5185,
4.5051
] | Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane in aqueous solution at standar... | eupmc | base |
t2_Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane_5 | task2 | D | N-Methyl codeine | [
"Codeine",
"Isoquinoline",
"Adamantan-1-yl-trimethyl-ammonium",
"N-Methyl codeine"
] | [
4.3385,
3.3222,
4.9685,
6.4314
] | Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane in aqueous solution at standar... | eupmc | base |
t2_Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane_6 | task2 | D | N-Methyl thebaine | [
"Adamantan-1-yl-trimethyl-ammonium",
"Acetylcholine chloride",
"Heroin",
"N-Methyl thebaine"
] | [
4.9685,
3.8129,
4.2878,
6.2274
] | Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane in aqueous solution at standar... | eupmc | base |
t2_Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane_7 | task2 | D | N-Methyl codeine | [
"Acetylcholine chloride",
"1-Azatricyclo[3.3.3.0]undecan-1-ylium chloride",
"2-methylisoquinolin-2-ium",
"N-Methyl codeine"
] | [
3.8129,
4.6021,
5.301,
6.4314
] | Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane in aqueous solution at standar... | eupmc | base |
t2_Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane_8 | task2 | B | N-Methyl codeine | [
"Tetraethylammonium iodide",
"N-Methyl codeine",
"(6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium",
"Isoquinoline"
] | [
4.5051,
6.4314,
5.5185,
3.3222
] | Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane in aqueous solution at standar... | eupmc | base |
t2_Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane_9 | task2 | D | N-Methyl thebaine | [
"N-Methylquinuclidinium iodide",
"(6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium",
"Codeine",
"N-Methyl thebaine"
] | [
4.6902,
5.5185,
4.3385,
6.2274
] | Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane in aqueous solution at standar... | eupmc | base |
t2_Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane_10 | task2 | B | N-Methyl thebaine | [
"Heroin",
"N-Methyl thebaine",
"2-methylisoquinolin-2-ium",
"Tetramethylammonium iodide"
] | [
4.2878,
6.2274,
5.301,
3.8129
] | Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane in aqueous solution at standar... | eupmc | base |
t2_Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane_11 | task2 | D | N-Methyl codeine | [
"Tetraethylammonium iodide",
"N-Methylquinuclidinium iodide",
"Codeine",
"N-Methyl codeine"
] | [
4.5051,
4.6902,
4.3385,
6.4314
] | Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane in aqueous solution at standar... | eupmc | base |
t2_Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane_12 | task2 | B | N-Methyl thebaine | [
"1-Azatricyclo[3.3.3.0]undecan-1-ylium chloride",
"N-Methyl thebaine",
"Adamantan-1-yl-trimethyl-ammonium",
"Isoquinoline"
] | [
4.6021,
6.2274,
4.9685,
3.3222
] | Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane in aqueous solution at standar... | eupmc | base |
t2_Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane_13 | task2 | B | N-Methyl thebaine | [
"Isoquinoline",
"N-Methyl thebaine",
"Codeine",
"Tetraethylammonium iodide"
] | [
3.3222,
6.2274,
4.3385,
4.5051
] | Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane in aqueous solution at standar... | eupmc | base |
t2_Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane_14 | task2 | D | N-Methyl codeine | [
"2-methylisoquinolin-2-ium",
"(6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium",
"Isoquinoline",
"N-Methyl codeine"
] | [
5.301,
5.5185,
3.3222,
6.4314
] | Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Di(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylicacid)-cyclophane in aqueous solution at standar... | eupmc | base |
t2_Dicyclohexano-18-Crown-6_0 | task2 | D | Mercury cation | [
"Cesium cation",
"Calcium cation",
"Ammonium ion",
"Mercury cation"
] | [
1.2,
0.3997,
1.3501,
2.75
] | Dicyclohexano-18-Crown-6 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Dicyclohexano-18-Crown-6 (SMILES: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2) in aqueous solution at standard c... | eupmc | base |
t2_Dicyclohexano-18-Crown-6_1 | task2 | A | Barium cation | [
"Barium cation",
"Thallium cation",
"Calcium cation",
"Mercury cation"
] | [
3.6,
2.45,
0.3997,
2.75
] | Dicyclohexano-18-Crown-6 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Dicyclohexano-18-Crown-6 (SMILES: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2) in aqueous solution at standard c... | eupmc | base |
t2_Dicyclohexano-18-Crown-6_2 | task2 | B | Barium cation | [
"Sodium cation",
"Barium cation",
"Silver cation",
"Potassium cation"
] | [
1.7,
3.6,
2.35,
2.2
] | Dicyclohexano-18-Crown-6 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Dicyclohexano-18-Crown-6 (SMILES: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2) in aqueous solution at standard c... | eupmc | base |
t2_Dicyclohexano-18-Crown-6_3 | task2 | C | Dimercury(2+) | [
"Lithium ion",
"Rubidium cation",
"Dimercury(2+)",
"Calcium cation"
] | [
0.5999,
1.5,
1.6,
0.3997
] | Dicyclohexano-18-Crown-6 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Dicyclohexano-18-Crown-6 (SMILES: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2) in aqueous solution at standard c... | eupmc | base |
t2_Dicyclohexano-18-Crown-6_4 | task2 | D | Potassium cation | [
"Lithium ion",
"Sodium cation",
"Cesium cation",
"Potassium cation"
] | [
0.5999,
1.7,
1.2,
2.2
] | Dicyclohexano-18-Crown-6 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Dicyclohexano-18-Crown-6 (SMILES: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2) in aqueous solution at standard c... | eupmc | base |
t2_Dicyclohexano-18-Crown-6_5 | task2 | D | Lead cation | [
"Sodium cation",
"Cesium cation",
"Silver cation",
"Lead cation"
] | [
1.7,
1.2,
2.35,
4.8998
] | Dicyclohexano-18-Crown-6 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Dicyclohexano-18-Crown-6 (SMILES: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2) in aqueous solution at standard c... | eupmc | base |
t2_Dicyclohexano-18-Crown-6_6 | task2 | B | Lead cation | [
"Lithium ion",
"Lead cation",
"Mercury cation",
"Thallium cation"
] | [
0.5999,
4.8998,
2.75,
2.45
] | Dicyclohexano-18-Crown-6 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Dicyclohexano-18-Crown-6 (SMILES: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2) in aqueous solution at standard c... | eupmc | base |
t2_Dicyclohexano-18-Crown-6_7 | task2 | B | Sodium cation | [
"Dimercury(2+)",
"Sodium cation",
"Lithium ion",
"Ammonium ion"
] | [
1.6,
1.7,
0.5999,
1.3501
] | Dicyclohexano-18-Crown-6 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Dicyclohexano-18-Crown-6 (SMILES: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2) in aqueous solution at standard c... | eupmc | base |
t2_Dicyclohexano-18-Crown-6_8 | task2 | A | Mercury cation | [
"Mercury cation",
"Thallium cation",
"Lithium ion",
"Potassium cation"
] | [
2.75,
2.45,
0.5999,
2.2
] | Dicyclohexano-18-Crown-6 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Dicyclohexano-18-Crown-6 (SMILES: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2) in aqueous solution at standard c... | eupmc | base |
t2_Dicyclohexano-18-Crown-6_9 | task2 | B | Strontium cation | [
"Ammonium ion",
"Strontium cation",
"Silver cation",
"Sodium cation"
] | [
1.3501,
3.24,
2.35,
1.7
] | Dicyclohexano-18-Crown-6 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Dicyclohexano-18-Crown-6 (SMILES: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2) in aqueous solution at standard c... | eupmc | base |
t2_Dicyclohexano-18-Crown-6_10 | task2 | C | Mercury cation | [
"Lithium ion",
"Rubidium cation",
"Mercury cation",
"Cesium cation"
] | [
0.5999,
1.5,
2.75,
1.2
] | Dicyclohexano-18-Crown-6 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Dicyclohexano-18-Crown-6 (SMILES: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2) in aqueous solution at standard c... | eupmc | base |
t2_Dicyclohexano-18-Crown-6_11 | task2 | A | Lead cation | [
"Lead cation",
"Ammonium ion",
"Strontium cation",
"Rubidium cation"
] | [
4.8998,
1.3501,
3.24,
1.5
] | Dicyclohexano-18-Crown-6 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Dicyclohexano-18-Crown-6 (SMILES: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2) in aqueous solution at standard c... | eupmc | base |
t2_Dicyclohexano-18-Crown-6_12 | task2 | A | Strontium cation | [
"Strontium cation",
"Sodium cation",
"Calcium cation",
"Cesium cation"
] | [
3.24,
1.7,
0.3997,
1.2
] | Dicyclohexano-18-Crown-6 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Dicyclohexano-18-Crown-6 (SMILES: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2) in aqueous solution at standard c... | eupmc | base |
t2_Dicyclohexano-18-Crown-6_13 | task2 | A | Lead cation | [
"Lead cation",
"Sodium cation",
"Strontium cation",
"Calcium cation"
] | [
4.8998,
1.7,
3.24,
0.3997
] | Dicyclohexano-18-Crown-6 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Dicyclohexano-18-Crown-6 (SMILES: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2) in aqueous solution at standard c... | eupmc | base |
t2_Dimetoxinaphtaleneglycoluril trimer_0 | task2 | A | PBS-1086 | [
"PBS-1086",
"Camptothecin",
"Ziprasidone",
"beta-Estradiol"
] | [
4.5563,
3.301,
3.9912,
4.1461
] | Dimetoxinaphtaleneglycoluril trimer | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Dimetoxinaphtaleneglycoluril trimer in aqueous solution at standard conditions?
A. PBS-1086 (SMILES: O... | eupmc | base |
t2_Dimetoxixylyleneglycoluril trimer_0 | task2 | D | PBS-1086 | [
"beta-Estradiol",
"Ziprasidone",
"Camptothecin",
"PBS-1086"
] | [
3.1761,
3.0792,
2.9395,
3.8692
] | Dimetoxixylyleneglycoluril trimer | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Dimetoxixylyleneglycoluril trimer in aqueous solution at standard conditions?
A. beta-Estradiol (SMILE... | eupmc | base |
t2_Dodeca(4-carboxybenzyl)bambus[6]uril_0 | task2 | A | Iodide anion | [
"Iodide anion",
"periodate ion",
"Tetrafluoroborate",
"Chloride anion"
] | [
6.6391,
3.8129,
6.6335,
2.7805
] | Dodeca(4-carboxybenzyl)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(4-carboxybenzyl)bambus[6]uril in aqueous solution at standard conditions?
A. Iodide anion (SMIL... | eupmc | base |
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