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[7]uril_36 | task2 | A | Phenoxy-1,2-dioxetane | [
"Phenoxy-1,2-dioxetane",
"Cadaverine (fully protonated form)",
"Ytterbium(III) chloride",
"AntNMe2+-2kPEG-OMe"
] | [
7.2279,
7.1461,
4.42,
3.9031
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Phenoxy-1,2-dioxetane (SMILES: COC1(OOC... | cb7_supplement | base |
t2_Cucurbit[7]uril_37 | task2 | A | bicyclo[2.2.1]heptan-2-one | [
"bicyclo[2.2.1]heptan-2-one",
"Thiazole orange",
"Cetrimonium bromide",
"1-benzyl-3-methylimidazol-3-ium bromide"
] | [
8.1825,
5.4472,
6.5818,
5.9031
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. bicyclo[2.2.1]heptan-2-one (SMILES: C1C... | cb7_supplement | base |
t2_Cucurbit[7]uril_38 | task2 | B | (Trimethylamino)methyl)ferrocene | [
"1-butyl-3-methylimidazolium hexafluorophosphate",
"(Trimethylamino)methyl)ferrocene",
"Bis(3,5-dimethoxybenzyl)-4,4′-bipyridinium",
"1-hexyl-3-methylimidazol-3-ium;bromide"
] | [
6.8808,
12.6075,
5.9031,
7.2788
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 1-butyl-3-methylimidazolium hexafluorop... | cb7_supplement | base |
t2_Cucurbit[7]uril_39 | task2 | D | Bicyclo[2.2.2]octane-1,4-diyldimethanol | [
"6-Azaniumylhexylazanium",
"Pentane-1,5-diamine",
"Acetone",
"Bicyclo[2.2.2]octane-1,4-diyldimethanol"
] | [
9.3222,
8.5048,
2.7848,
9.7853
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 6-Azaniumylhexylazanium (SMILES: C(CCC[... | cb7_supplement | base |
t2_Cucurbit[7]uril_40 | task2 | B | Eucalyptol | [
"(2-(2-(2-(2-(4-(pyridine-2-yl)-1H-1,2,3-triazole-1-yl)ethoxy)ethoxy)ethoxy)ethan-1-ol)",
"Eucalyptol",
"Magnesium cation",
"Gadolinium(3+)"
] | [
4.2504,
5.9294,
1.6232,
2.9294
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. (2-(2-(2-(2-(4-(pyridine-2-yl)-1H-1,2,3... | cb7_supplement | base |
t2_Cucurbit[7]uril_41 | task2 | D | p-xylylenediamine dihydrochloride | [
"1,1'-(1,4-phenylenebis(methylene))bis(pyridin-1-ium-3-carboxylate)",
"Epiberberine",
"Glycyl-dl-Tryptophan",
"p-xylylenediamine dihydrochloride"
] | [
5.7482,
8.7924,
2.4472,
9.5185
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 1,1'-(1,4-phenylenebis(methylene))bis(p... | cb7_supplement | base |
t2_Cucurbit[7]uril_42 | task2 | B | N-Butyladamantan-1-aminium | [
"5-Bromo-2-adamantanone",
"N-Butyladamantan-1-aminium",
"(Z)‐4‐(4‐(2‐(3′,5′‐bis(trifluoromethyl)‐[1,1′‐biphenyl]‐4‐yl)‐1‐cyanovinyl)phenyl)‐1‐methylpyridin‐1‐ium chloride",
"Magnesium chloride"
] | [
8.4857,
12,
6.0969,
3.24
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 5-Bromo-2-adamantanone (SMILES: C1C2CC3... | cb7_supplement | base |
t2_Cucurbit[7]uril_43 | task2 | B | beta-Estradiol | [
"Pyrrole",
"beta-Estradiol",
"Ethanol",
"Histamine"
] | [
3.2304,
6.2504,
2.49,
4.5051
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Pyrrole (SMILES: C1=CNC=C1).
B. beta-Es... | cb7_supplement | base |
t2_Cucurbit[7]uril_44 | task2 | D | TMPyP4 | [
"Acetone",
"Rubidium cation",
"Rhodamine methylester chloride",
"TMPyP4"
] | [
2.7848,
2.7634,
3,
4.9138
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Acetone (SMILES: CC(=O)C).
B. Rubidium ... | cb7_supplement | base |
t2_Cucurbit[7]uril_45 | task2 | C | L-Phe-L-leucine-amide | [
"1,4-Phenylenediamine dihydrochloride",
"Decyltrimethylammonium bromide",
"L-Phe-L-leucine-amide",
"L-Tryptophan"
] | [
6.2553,
6.5085,
7.6348,
3.0792
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 1,4-Phenylenediamine dihydrochloride (S... | cb7_supplement | base |
t2_Cucurbit[7]uril_46 | task2 | D | Cyclohexanone | [
"2,7-bis(2-(trimethyl-azaneyl)ethyl)pyrene-1,3,6,8(2H,7H)-tetraone",
"Calcium chloride",
"Ammonium chloride",
"Cyclohexanone"
] | [
4.8681,
4.1295,
2.8202,
7.2798
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 2,7-bis(2-(trimethyl-azaneyl)ethyl)pyre... | cb7_supplement | base |
t2_Cucurbit[7]uril_47 | task2 | B | bicyclo[2.2.1]heptan-2-one | [
"Copper chloride",
"bicyclo[2.2.1]heptan-2-one",
"1,4-Phenylenediamine dihydrochloride",
"2-(2-amino-3-phenylpropanamido)-4-(methylthio)butanamide"
] | [
3.75,
8.1825,
6.2553,
7.3795
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Copper chloride (SMILES: Cl[Cu]Cl).
B. ... | cb7_supplement | base |
t2_Cucurbit[7]uril_48 | 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",
"4-(diethylamino)benzonitrile",
"Cyclopentanone",
"Trp-met-gly"
] | [
6.7251,
5.2732,
5.5709,
5.3617
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 1-methyl-3-[[6-[(3-methylimidazol-3-ium... | cb7_supplement | base |
t2_Cucurbit[7]uril_49 | task2 | A | bicyclo[2.2.1]heptan-2-one | [
"bicyclo[2.2.1]heptan-2-one",
"Potassium cation",
"4-(diethylamino)benzonitrile",
"1-methyl-3-octylimidazol-1-ium;bromide"
] | [
8.1825,
1.8513,
5.2732,
6.9191
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. bicyclo[2.2.1]heptan-2-one (SMILES: C1C... | cb7_supplement | base |
t2_Cucurbit[7]uril_50 | task2 | D | Pibenzimol HCl | [
"Zinc cation",
"Fenchol",
"1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole",
"Pibenzimol HCl"
] | [
2.3424,
6.6812,
6.7993,
9.1614
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Zinc cation (SMILES: [Zn+2]).
B. Fencho... | cb7_supplement | base |
t2_Cucurbit[7]uril_51 | task2 | C | tBu Phe | [
"Lithium chloride",
"Progesterone",
"tBu Phe",
"Dopamine hydrochloride"
] | [
2.3404,
4.7701,
6.6021,
5
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Lithium chloride (SMILES: [Li+].[Cl-]).... | cb7_supplement | base |
t2_Cucurbit[7]uril_52 | task2 | C | 5-Chloro-2-adamantanone | [
"1-(3-aminopropyl)-4-4'-bipyridinium",
"[C3mim]Br",
"5-Chloro-2-adamantanone",
"Albendazole"
] | [
6.6335,
6.2788,
9.0253,
4.8129
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 1-(3-aminopropyl)-4-4'-bipyridinium (SM... | cb7_supplement | base |
t2_Cucurbit[7]uril_53 | task2 | B | 1-Adamantanol | [
"Iron(III) chloride",
"1-Adamantanol",
"tBu Phe",
"N,N,N-trimethylanthracen-2-aminium chloride"
] | [
4.179,
10.3944,
6.6021,
5.6128
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Iron(III) chloride (SMILES: Cl[Fe](Cl)C... | cb7_supplement | base |
t2_Cucurbit[7]uril_54 | task2 | C | 1-Adamantanol | [
"(2S)-2-amino-3-phenylpropanoic acidhydrochloride",
"Acridine Orange hydrochloride (protonated)",
"1-Adamantanol",
"Pibenzimol HCl"
] | [
5.6021,
5.301,
10.3944,
9.1614
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. (2S)-2-amino-3-phenylpropanoic acidhydr... | cb7_supplement | base |
t2_Cucurbit[7]uril_55 | task2 | A | 5-Chloro-2-adamantanone | [
"5-Chloro-2-adamantanone",
"H-Phe-Met-OH",
"Pyrrole",
"D/L-Adrenaline"
] | [
9.0253,
7.1461,
3.2304,
4.2405
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 5-Chloro-2-adamantanone (SMILES: C1C2CC... | cb7_supplement | base |
t2_Cucurbit[7]uril_56 | task2 | C | 6-Azaniumylhexylazanium | [
"Octyltrimethylammonium bromide",
"N-((5-bromofuran-2-yl)methyl)prop-2-en-1-amine",
"6-Azaniumylhexylazanium",
"Thr-Gly-D-Ala-Phe-Met-NH2"
] | [
6.8062,
6,
9.3222,
4.6184
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Octyltrimethylammonium bromide (SMILES:... | cb7_supplement | base |
t2_Cucurbit[7]uril_57 | task2 | B | Cyclohexylmethanaminium | [
"Vecuronium",
"Cyclohexylmethanaminium",
"Phenoxy-1,2-dioxetane",
"4-(diethylamino)benzonitrile"
] | [
5.6721,
11.1139,
7.2279,
5.2732
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Vecuronium (SMILES: CC(=O)OC1CC2CCC3C(C... | cb7_supplement | base |
t2_Cucurbit[7]uril_58 | task2 | C | bis(dimethylpyridinium)diarylethene (open form) | [
"Nickel chloride",
"pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diol",
"bis(dimethylpyridinium)diarylethene (open form)",
"Tetramethyl benzobis (imidazolium)"
] | [
3.5,
7.1335,
8.8299,
3.8195
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Nickel chloride (SMILES: Cl[Ni]Cl).
B. ... | cb7_supplement | base |
t2_Cucurbit[7]uril_59 | task2 | C | (E)-4-(2-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)vinyl)-1-(3-(trimethylammonio)propyl)pyridin-1-ium bromide | [
"Aluminum cation",
"L-Tyrosine",
"(E)-4-(2-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)vinyl)-1-(3-(trimethylammonio)propyl)pyridin-1-ium bromide",
"Dopamine hydrochloride"
] | [
4.3911,
4.2041,
14.8899,
5
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Aluminum cation (SMILES: [Al+3]).
B. L-... | cb7_supplement | base |
t2_Cucurbit[7]uril_60 | task2 | B | 1-Adamantylazanium | [
"Tetramethyl benzobis (imidazolium)",
"1-Adamantylazanium",
"Phe-Gly-Gly",
"((3R)-2-amino-3-hydroxybutanoyl)glycyl-L-alanyl-L-phenylalanyl-L-leucine"
] | [
3.8195,
14.2304,
6.4782,
3.4587
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Tetramethyl benzobis (imidazolium) (SMI... | cb7_supplement | base |
t2_Cucurbit[7]uril_61 | task2 | C | Octyltrimethylammonium bromide | [
"6-Methoxy-1-methylquinolinium",
"L-Tyrosine",
"Octyltrimethylammonium bromide",
"1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]naphthalen-2-yl]methyl]imidazol-1-ium"
] | [
6.2996,
4.2041,
6.8062,
6.7251
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 6-Methoxy-1-methylquinolinium (SMILES: ... | cb7_supplement | base |
t2_Cucurbit[7]uril_62 | task2 | A | Decyltrimethylammonium bromide | [
"Decyltrimethylammonium bromide",
"Europium(3+)",
"Barium chloride",
"Acetonitrile"
] | [
6.5085,
3.301,
5.0306,
1.0414
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Decyltrimethylammonium bromide (SMILES:... | cb7_supplement | base |
t2_Cucurbit[7]uril_63 | task2 | C | Cyclohexylmethanaminium | [
"(2S)-2-((2S)-2-((2S)-2-(2-((3R)-2-amino-3-hydroxybutanamido)acetamido)propanamido)-3-phenylpropanamido)-4-methylpentanamide",
"Tetramethylrhodamine",
"Cyclohexylmethanaminium",
"Calcium cation"
] | [
3.7475,
4.1461,
11.1139,
3.1461
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. (2S)-2-((2S)-2-((2S)-2-(2-((3R)-2-amino... | cb7_supplement | base |
t2_Cucurbit[7]uril_64 | task2 | B | 1-Adamantylazanium | [
"Ammonium chloride",
"1-Adamantylazanium",
"Dopamine hydrochloride",
"AM Phe"
] | [
2.8202,
14.2304,
5,
6.3365
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Ammonium chloride (SMILES: [NH4+].[Cl-]... | cb7_supplement | base |
t2_Cucurbit[7]uril_65 | task2 | A | 1-butyl-3-methylimidazol-3-ium;tetrafluoroborate | [
"1-butyl-3-methylimidazol-3-ium;tetrafluoroborate",
"Lanthanum chloride heptahydrate",
"1-Phenyl-2-butanone",
"tBu Phe"
] | [
6.8808,
4.9873,
3.6628,
6.6021
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 1-butyl-3-methylimidazol-3-ium;tetraflu... | cb7_supplement | base |
t2_Cucurbit[7]uril_66 | task2 | C | 5-Chloro-2-adamantanone | [
"1-butyl-3-methylimidazol-3-ium chloride",
"(2S)-2-((2S)-2-((2S)-2-(2-((3R)-2-amino-3-hydroxybutanamido)acetamido)propanamido)-3-phenylpropanamido)-4-methylpentanamide",
"5-Chloro-2-adamantanone",
"1-butyl-3-methylimidazolium hexafluorophosphate"
] | [
6.8261,
3.7475,
9.0253,
6.8808
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 1-butyl-3-methylimidazol-3-ium chloride... | cb7_supplement | base |
t2_Cucurbit[7]uril_67 | task2 | A | 1-Adamantanamine | [
"1-Adamantanamine",
"1-Adamantanol",
"Dimethyl sulfoxide",
"Rhodamine B benzyl ester"
] | [
12.6232,
10.3944,
2.13,
5.0414
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 1-Adamantanamine (SMILES: C1C2CC3CC1CC(... | cb7_supplement | base |
t2_Cucurbit[7]uril_68 | task2 | B | bicyclo[2.2.1]heptan-2-one | [
"Potassium chloride",
"bicyclo[2.2.1]heptan-2-one",
"2NpCH2ImidMe",
"N-(furan-2-ylmethyl)propan-1-amine"
] | [
3.375,
8.1825,
5.4771,
5.3617
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Potassium chloride (SMILES: [Cl-].[K+])... | cb7_supplement | base |
t2_Cucurbit[7]uril_69 | task2 | A | 6-chloro-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole | [
"6-chloro-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole",
"Ammonium chloride",
"Trp-met-gly",
"N,N-dimethylformamide"
] | [
6.7993,
2.8202,
5.3617,
2.8926
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 6-chloro-1,2,3,6,7,7a-hexahydro-3a,6-ep... | cb7_supplement | base |
t2_Cucurbit[7]uril_70 | task2 | B | 1-hexyl-3-methylimidazol-3-ium;bromide | [
"Zinc cation",
"1-hexyl-3-methylimidazol-3-ium;bromide",
"Calcium cation",
"Dimethyl sulfoxide"
] | [
2.3424,
7.2788,
3.1461,
2.13
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Zinc cation (SMILES: [Zn+2]).
B. 1-hexy... | cb7_supplement | base |
t2_Cucurbit[7]uril_71 | task2 | B | Phe-Gly-Gly | [
"Thiazole orange",
"Phe-Gly-Gly",
"(Z)‐4‐(4‐(2‐(3′,5′‐bis(trifluoromethyl)‐[1,1′‐biphenyl]‐4‐yl)‐1‐cyanovinyl)phenyl)‐1‐methylpyridin‐1‐ium chloride",
"1-Methyl-4-(pyridin-4-yl)pyridinium"
] | [
5.4472,
6.4782,
6.0969,
6.0792
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Thiazole orange (SMILES: CC1=CC=C(C=C1)... | cb7_supplement | base |
t2_Cucurbit[7]uril_72 | task2 | C | 6-(p-toluidino)-2-naphthalenesulfonic acid sodium salt | [
"Histamine",
"Sodium cation",
"6-(p-toluidino)-2-naphthalenesulfonic acid sodium salt",
"Acetonitrile"
] | [
4.5051,
2.145,
4.5302,
1.0414
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Histamine (SMILES: C1=C(NC=N1)CCN).
B. ... | cb7_supplement | base |
t2_Cucurbit[7]uril_73 | task2 | C | bicyclo[2.2.1]heptan-2-one | [
"Calcium cation",
"Brilliant green",
"bicyclo[2.2.1]heptan-2-one",
"Proflavine"
] | [
3.1461,
4.2304,
8.1825,
7.301
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Calcium cation (SMILES: [Ca+2]).
B. Bri... | cb7_supplement | base |
t2_Cucurbit[7]uril_74 | task2 | D | 1-Adamantylazanium | [
"1,1'-(3-(methoxycarbonyl)pentane-1,5-diyl)bis(pyridin-1-ium)",
"Zinc cation",
"Tryptophyl-Glycine",
"1-Adamantylazanium"
] | [
0,
2.3424,
5.7482,
14.2304
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 1,1'-(3-(methoxycarbonyl)pentane-1,5-di... | cb7_supplement | base |
t2_Cucurbit[7]uril_75 | task2 | B | 6-methyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole | [
"Pinacolone",
"6-methyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole",
"Calcium cation",
"Acridine Orange hydrochloride (protonated)"
] | [
3.8287,
6.7482,
3.1461,
5.301
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Pinacolone (SMILES: CC(=O)C(C)(C)C).
B.... | cb7_supplement | base |
t2_Cucurbit[7]uril_76 | task2 | D | N1,N1'-(hexane-1,6-diyl)bis(ethane-1,2-diaminium) | [
"D/L-lysine",
"1-ethyl-3-methylimidazolium chloride",
"1-methyl-1'-(3-aminiopropyl)-4,4'-bipyridinium",
"N1,N1'-(hexane-1,6-diyl)bis(ethane-1,2-diaminium)"
] | [
2.9395,
5.2553,
7.1461,
11.2304
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. D/L-lysine (SMILES: C(CCN)CC(C(=O)O)N).... | cb7_supplement | base |
t2_Cucurbit[7]uril_77 | task2 | A | Proflavine | [
"Proflavine",
"Tryptophyl-Glycine",
"Dimethyl sulfoxide",
"1,1'-bis(3,5-diethoxybenzyl)-[4,4'-bipyridine]-1,1'-diium"
] | [
7.301,
5.7482,
2.13,
5.9031
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Proflavine (SMILES: C1=CC(=CC2=NC3=C(C=... | cb7_supplement | base |
t2_Cucurbit[7]uril_78 | task2 | A | 2-Adamantanone | [
"2-Adamantanone",
"Decyltrimethylammonium bromide",
"Acetonitrile",
"1,3-Dimethylimidazolium"
] | [
10.5911,
6.5085,
1.0414,
4.8751
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 2-Adamantanone (SMILES: C1C2CC3CC1CC(C2... | cb7_supplement | base |
t2_Cucurbit[7]uril_79 | task2 | A | Bicyclo[2.2.2]octane-1,4-diyldimethanol | [
"Bicyclo[2.2.2]octane-1,4-diyldimethanol",
"Thr-Gly-Ala-Phe-Met-NH2",
"N,N,N-trimethylanthracen-2-aminium chloride",
"bicyclo[2.2.1]heptan-2-one"
] | [
9.7853,
4.3173,
5.6128,
8.1825
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Bicyclo[2.2.2]octane-1,4-diyldimethanol... | cb7_supplement | base |
t2_Cucurbit[7]uril_80 | task2 | B | N1,N1'-(bicyclo[2.2.2]octane-1,4-diylbis(methylene))bis(N3,N3-dimethylpropane-1,3-diamine) | [
"N,N,N-trimethylanthracen-2-aminium chloride",
"N1,N1'-(bicyclo[2.2.2]octane-1,4-diylbis(methylene))bis(N3,N3-dimethylpropane-1,3-diamine)",
"1-benzyl-3-methylimidazol-3-ium bromide",
"bicyclo[2.2.1]heptan-2-one"
] | [
5.6128,
15.0792,
5.9031,
8.1825
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. N,N,N-trimethylanthracen-2-aminium chlo... | cb7_supplement | base |
t2_Cucurbit[7]uril_81 | task2 | D | Ferrocene | [
"N-(furan-2-ylmethyl)propan-1-amine",
"3-Pentanone",
"Thr-Gly-D-Ala-Phe-Met-NH2",
"Ferrocene"
] | [
5.3617,
3.3139,
4.6184,
6
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. N-(furan-2-ylmethyl)propan-1-amine (SMI... | cb7_supplement | base |
t2_Cucurbit[7]uril_82 | task2 | C | 6-Methoxy-1-methylquinolinium | [
"Glycyl-phenylalanine",
"Tetramethyl benzobis (imidazolium)",
"6-Methoxy-1-methylquinolinium",
"butane-1,4-diamine;dihydrochloride"
] | [
3.1139,
3.8195,
6.2996,
5.8976
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Glycyl-phenylalanine (SMILES: C1=CC=C(C... | cb7_supplement | base |
t2_Cucurbit[7]uril_83 | task2 | B | Hexamethylenediamine | [
"Potassium cation",
"Hexamethylenediamine",
"1-methyl-3-octylimidazol-1-ium;bromide",
"tert-Butylbenzylketone"
] | [
1.8513,
9.3222,
6.9191,
4.4362
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Potassium cation (SMILES: [K+]).
B. Hex... | cb7_supplement | base |
t2_Cucurbit[7]uril_84 | task2 | B | Cyclohexylmethanaminium | [
"1-Methyl-4-(pyridin-4-yl)pyridinium",
"Cyclohexylmethanaminium",
"1-Butanol",
"1,4-Phenylenediamine dihydrochloride"
] | [
6.0792,
11.1139,
4.79,
6.2553
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 1-Methyl-4-(pyridin-4-yl)pyridinium (SM... | cb7_supplement | base |
t2_Cucurbit[7]uril_85 | task2 | C | Bis(3,5-dimethoxybenzyl)-4,4′-bipyridinium | [
"Sulforhodamine b",
"(2S)-2-((2S)-2-((2S)-2-(2-((3R)-2-amino-3-hydroxybutanamido)acetamido)propanamido)-3-phenylpropanamido)-4-methylpentanamide",
"Bis(3,5-dimethoxybenzyl)-4,4′-bipyridinium",
"tyrosylmethionine"
] | [
5.6021,
3.7475,
5.9031,
5.8062
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Sulforhodamine b (SMILES: CCN(CC)C1=CC2... | cb7_supplement | base |
t2_Cucurbit[7]uril_86 | task2 | C | D/L-Adrenaline | [
"Strontium cation",
"7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione",
"D/L-Adrenaline",
"Calcium cation"
] | [
3.6435,
3.9685,
4.2405,
3.1461
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Strontium cation (SMILES: [Sr+2]).
B. 7... | cb7_supplement | base |
t2_Cucurbit[7]uril_87 | task2 | D | bis(dimethylpyridinium)diarylethene (closed form) | [
"Calcium chloride",
"L-Phe-L-leucine-amide",
"Zinc chloride",
"bis(dimethylpyridinium)diarylethene (closed form)"
] | [
4.1295,
7.6348,
3.4,
7.8451
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Calcium chloride (SMILES: [Cl-].[Cl-].[... | cb7_supplement | base |
t2_Cucurbit[7]uril_88 | task2 | B | bis(Trimethylamminomethyl)ferrocene | [
"Rhodamine B",
"bis(Trimethylamminomethyl)ferrocene",
"Cadaverine (fully protonated form)",
"1-Adamantanol"
] | [
5.3546,
15.5002,
7.1461,
10.3944
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Rhodamine B (SMILES: CCN(CC)C1=CC2=C(C=... | cb7_supplement | base |
t2_Cucurbit[7]uril_89 | task2 | C | 6-Azaniumylhexylazanium | [
"Glycyl-phenylalanine",
"Sodium cation",
"6-Azaniumylhexylazanium",
"2-(2-amino-3-phenylpropanamido)-4-(methylthio)butanamide"
] | [
3.1139,
2.145,
9.3222,
7.3795
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Glycyl-phenylalanine (SMILES: C1=CC=C(C... | cb7_supplement | base |
t2_Cucurbit[7]uril_90 | task2 | D | (R)-1-(2-naphthyl)ethylammonium | [
"6-(p-toluidino)-2-naphthalenesulfonic acid sodium salt",
"L-Tryptophan",
"N,N-dimethylformamide",
"(R)-1-(2-naphthyl)ethylammonium"
] | [
4.5302,
3.0792,
2.8926,
7.0253
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 6-(p-toluidino)-2-naphthalenesulfonic a... | cb7_supplement | base |
t2_Cucurbit[7]uril_91 | task2 | C | bis(Trimethylamminomethyl)ferrocene | [
"Lanthanum chloride heptahydrate",
"Flavopereirine perchlorate",
"bis(Trimethylamminomethyl)ferrocene",
"Thr-Gly-Ser-Phe-Met-NH2"
] | [
4.9873,
7.7853,
15.5002,
4.4822
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Lanthanum chloride heptahydrate (SMILES... | cb7_supplement | base |
t2_Cucurbit[7]uril_92 | task2 | B | Pibenzimol HCl | [
"Thr-Gly-Ala-Phe-Met-NH2",
"Pibenzimol HCl",
"Lanthanum chloride heptahydrate",
"D/L-lysine"
] | [
4.3173,
9.1614,
4.9873,
2.9395
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Thr-Gly-Ala-Phe-Met-NH2 (SMILES: CSCC[C... | cb7_supplement | base |
t2_Cucurbit[7]uril_93 | task2 | A | H-phe-leu-oh | [
"H-phe-leu-oh",
"1-Hexanol",
"Potassium cation",
"TMPyP4"
] | [
6.5256,
5.7756,
1.8513,
4.9138
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. H-phe-leu-oh (SMILES: CC(C)CC(C(=O)O)NC... | cb7_supplement | base |
t2_Cucurbit[7]uril_94 | task2 | C | Flavopereirine perchlorate | [
"Cyclopentanone",
"1,1'-(1,4-phenylenebis(methylene))bis(pyridin-1-ium-3-carboxylate)",
"Flavopereirine perchlorate",
"1,1'-(1,4-phenylenebis(methylene))bis(pyridin-1-ium-4-carboxylate)"
] | [
5.5709,
5.7482,
7.7853,
5.8129
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Cyclopentanone (SMILES: C1CCC(=O)C1).
B... | cb7_supplement | base |
t2_Cucurbit[7]uril_95 | task2 | C | 2-Adamantylamine hydrochloride | [
"((S)-2-amino-3-(4-(aminomethyl)phenyl)propanoyl)-L-methionine",
"Rubidium chloride",
"2-Adamantylamine hydrochloride",
"Gadolinium(3+)"
] | [
8.7243,
3.425,
14,
2.9294
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. ((S)-2-amino-3-(4-(aminomethyl)phenyl)p... | cb7_supplement | base |
t2_Cucurbit[7]uril_96 | task2 | D | p-xylylenediamine dihydrochloride | [
"1-Phenyl-2-butanone",
"Pentane-1,5-diamine",
"Cetrimonium bromide",
"p-xylylenediamine dihydrochloride"
] | [
3.6628,
8.5048,
6.5818,
9.5185
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 1-Phenyl-2-butanone (SMILES: CCC(=O)Cc1... | cb7_supplement | base |
t2_Cucurbit[7]uril_97 | task2 | D | 1-methyl-1'-(3-aminiopropyl)-4,4'-bipyridinium | [
"Rhodamine B benzyl ester",
"Sulforhodamine b",
"Rhodamine methylester chloride",
"1-methyl-1'-(3-aminiopropyl)-4,4'-bipyridinium"
] | [
5.0414,
5.6021,
3,
7.1461
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Rhodamine B benzyl ester (SMILES: O=C(O... | cb7_supplement | base |
t2_Cucurbit[7]uril_98 | task2 | A | 1-(hydroxymethyl)-ferrocene | [
"1-(hydroxymethyl)-ferrocene",
"1-hexyl-3-methylimidazol-3-ium;bromide",
"1,1'-(1,4-phenylenebis(methylene))bis(pyridin-1-ium-4-carboxylate)",
"Cadaverine (fully protonated form)"
] | [
9.4238,
7.2788,
5.8129,
7.1461
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 1-(hydroxymethyl)-ferrocene (SMILES: [C... | cb7_supplement | base |
t2_Cucurbit[7]uril_99 | task2 | A | N-Butyladamantan-1-aminium | [
"N-Butyladamantan-1-aminium",
"Rhodamine B benzyl ester",
"D/L-Adrenaline",
"Calcium chloride"
] | [
12,
5.0414,
4.2405,
4.1295
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. N-Butyladamantan-1-aminium (SMILES: CCC... | cb7_supplement | base |
t2_Cucurbit[7]uril_100 | task2 | C | (+)-fenchone | [
"2-butanone",
"Strontium chloride hexahydrate",
"(+)-fenchone",
"6-(p-toluidino)-2-naphthalenesulfonic acid sodium salt"
] | [
3.4914,
4.5499,
7.4432,
4.5302
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 2-butanone (SMILES: CCC(=O)C).
B. Stron... | cb7_supplement | base |
t2_Cucurbit[7]uril_101 | task2 | A | bis(Trimethylamminomethyl)ferrocene | [
"bis(Trimethylamminomethyl)ferrocene",
"1-butyl-3-methylimidazol-3-ium;tetrafluoroborate",
"Ammonium chloride",
"Acetonitrile"
] | [
15.5002,
6.8808,
2.8202,
1.0414
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. bis(Trimethylamminomethyl)ferrocene (SM... | cb7_supplement | base |
t2_Cucurbit[7]uril_102 | task2 | D | 5-Chloro-2-adamantanone | [
"(+)-fenchone",
"Strontium chloride hexahydrate",
"Dehydrocorydaline",
"5-Chloro-2-adamantanone"
] | [
7.4432,
4.5499,
3.3743,
9.0253
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. (+)-fenchone (SMILES: CC1(C2CCC(C2)(C1=... | cb7_supplement | base |
t2_Cucurbit[7]uril_103 | task2 | D | 6-Azaniumylhexylazanium | [
"Thiazole orange",
"1-Phenyl-2-butanone",
"1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole",
"6-Azaniumylhexylazanium"
] | [
5.4472,
3.6628,
6.7993,
9.3222
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Thiazole orange (SMILES: CC1=CC=C(C=C1)... | cb7_supplement | base |
t2_Cucurbit[7]uril_104 | task2 | B | Cadaverine (fully protonated form) | [
"Pinacolone",
"Cadaverine (fully protonated form)",
"(2S)-2-((2S)-2-((2S)-2-(2-((3R)-2-amino-3-hydroxybutanamido)acetamido)propanamido)-3-phenylpropanamido)-4-methylpentanamide",
"7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione"
] | [
3.8287,
7.1461,
3.7475,
3.9685
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Pinacolone (SMILES: CC(=O)C(C)(C)C).
B.... | cb7_supplement | base |
t2_Cucurbit[7]uril_105 | task2 | A | 1-(hydroxymethyl)-ferrocene | [
"1-(hydroxymethyl)-ferrocene",
"3-Pentanone",
"Strontium chloride hexahydrate",
"Thr-Gly-Ser-Phe-Met-NH2"
] | [
9.4238,
3.3139,
4.5499,
4.4822
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 1-(hydroxymethyl)-ferrocene (SMILES: [C... | cb7_supplement | base |
t2_Cucurbit[7]uril_106 | task2 | A | bis(dimethylpyridinium)diarylethene (closed form) | [
"bis(dimethylpyridinium)diarylethene (closed form)",
"N-((5-chlorofuran-2-yl)methyl)prop-2-en-1-amine",
"Cesium chloride, Caesium chloride",
"Aluminum cation"
] | [
7.8451,
5.6628,
3.505,
4.3911
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. bis(dimethylpyridinium)diarylethene (cl... | cb7_supplement | base |
t2_Cucurbit[7]uril_107 | task2 | B | Trp-met-gly | [
"Dehydrocorydaline",
"Trp-met-gly",
"Acetonitrile",
"Glycyl-phenylalanine"
] | [
3.3743,
5.3617,
1.0414,
3.1139
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Dehydrocorydaline (SMILES: CC1=C2C=CC(=... | cb7_supplement | base |
t2_Cucurbit[7]uril_108 | task2 | B | Recombinant insulin human | [
"1,1'-bis(5-carboxypentyl)-[4,4'-bipyridine]-1,1'-diium",
"Recombinant insulin human",
"Thr-Gly-Ser-Phe-Met-NH2",
"Ammonium chloride"
] | [
5.301,
6.1761,
4.4822,
2.8202
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 1,1'-bis(5-carboxypentyl)-[4,4'-bipyrid... | cb7_supplement | base |
t2_Cucurbit[7]uril_109 | task2 | C | 1-methyl-3-octylimidazol-1-ium chloride | [
"Eucalyptol",
"Aluminum trichloride",
"1-methyl-3-octylimidazol-1-ium chloride",
"Progesterone"
] | [
5.9294,
2.9004,
6.9494,
4.7701
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Eucalyptol (SMILES: CC1(C2CCC(O1)(CC2)C... | cb7_supplement | base |
t2_Cucurbit[7]uril_110 | task2 | D | (R)-1-(2-naphthyl)ethylammonium | [
"N-((5-bromofuran-2-yl)methyl)prop-2-en-1-amine",
"Thiazole orange",
"Brilliant green",
"(R)-1-(2-naphthyl)ethylammonium"
] | [
6,
5.4472,
4.2304,
7.0253
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. N-((5-bromofuran-2-yl)methyl)prop-2-en-... | cb7_supplement | base |
t2_Cucurbit[7]uril_111 | task2 | D | Cyclohexylmethanaminium | [
"6-bromo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole",
"Rubidium cation",
"1-Methyl-4-(pyridin-4-yl)pyridinium",
"Cyclohexylmethanaminium"
] | [
6.4624,
2.7634,
6.0792,
11.1139
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 6-bromo-1,2,3,6,7,7a-hexahydro-3a,6-epo... | cb7_supplement | base |
t2_Cucurbit[7]uril_112 | task2 | A | 1H-Imidazolium, 3-butyl-1-methyl-, bromide | [
"1H-Imidazolium, 3-butyl-1-methyl-, bromide",
"1-Phenyl-2-butanone",
"Acetone",
"Europium(3+)"
] | [
6.7993,
3.6628,
2.7848,
3.301
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 1H-Imidazolium, 3-butyl-1-methyl-,... | cb7_supplement | base |
t2_Cucurbit[7]uril_113 | task2 | A | 1-(hydroxymethyl)-ferrocene | [
"1-(hydroxymethyl)-ferrocene",
"Gly-AM Phe-Gly",
"pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diol",
"Pyrrole"
] | [
9.4238,
6.2923,
7.1335,
3.2304
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 1-(hydroxymethyl)-ferrocene (SMILES: [C... | cb7_supplement | base |
t2_Cucurbit[7]uril_114 | task2 | C | p-xylylenediamine dihydrochloride | [
"Coptisine",
"Melamine",
"p-xylylenediamine dihydrochloride",
"Diquat"
] | [
8.699,
4.5991,
9.5185,
2.5378
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Coptisine (SMILES: C1C[N+]2=C(C=C3C=CC4... | cb7_supplement | base |
t2_Cucurbit[7]uril_115 | task2 | C | 1-Adamantylazanium | [
"Recombinant insulin human",
"L-Tyrosine",
"1-Adamantylazanium",
"D/L-Adrenaline"
] | [
6.1761,
4.2041,
14.2304,
4.2405
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Recombinant insulin human (SMILES: CCC(... | cb7_supplement | base |
t2_Cucurbit[7]uril_116 | task2 | C | N1,N1'-(bicyclo[2.2.2]octane-1,4-diylbis(methylene))bis(N3,N3-dimethylpropane-1,3-diamine) | [
"2,7-dimethyldiazapyrenium",
"1H-Imidazolium, 3-butyl-1-methyl-, bromide",
"N1,N1'-(bicyclo[2.2.2]octane-1,4-diylbis(methylene))bis(N3,N3-dimethylpropane-1,3-diamine)",
"Cesium cation"
] | [
8.9705,
6.7993,
15.0792,
2.8388
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 2,7-dimethyldiazapyrenium (SMILES: C[N+... | cb7_supplement | base |
t2_Cucurbit[7]uril_117 | task2 | C | styrylcoumarin | [
"Fenchol",
"Octyltrimethylammonium bromide",
"styrylcoumarin",
"2-butanone"
] | [
6.6812,
6.8062,
10.0792,
3.4914
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Fenchol (SMILES: CC1(C2CCC(C2)(C1O)C)C)... | cb7_supplement | base |
t2_Cucurbit[7]uril_118 | task2 | A | Phenylalanylglycine | [
"Phenylalanylglycine",
"TMPyP4",
"Tetramethylrhodamine",
"(E)-4-(4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecan-10-yl)styryl)-1-methylpyridin-1-ium"
] | [
7.4771,
4.9138,
4.1461,
5.3598
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Phenylalanylglycine (SMILES: C1=CC=C(C=... | cb7_supplement | base |
t2_Cucurbit[7]uril_119 | task2 | B | 1-Adamantylammonium chloride | [
"tBu Phe",
"1-Adamantylammonium chloride",
"Glycyltyrosine",
"Tetrakis(pyridin-4-ylsulfanyl)-phthalocyaninato zinc(II)"
] | [
6.6021,
11.0414,
2.301,
4.741
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. tBu Phe (SMILES: CC(C)(C)C1=CC=C(C=C1)C... | cb7_supplement | base |
t2_Cucurbit[7]uril_120 | task2 | B | bicyclo[2.2.2]octane-1,4-diyldimethanamine | [
"D/L-lysine",
"bicyclo[2.2.2]octane-1,4-diyldimethanamine",
"Magnesium chloride",
"Sulforhodamine b"
] | [
2.9395,
14.301,
3.24,
5.6021
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. D/L-lysine (SMILES: C(CCN)CC(C(=O)O)N).... | cb7_supplement | base |
t2_Cucurbit[7]uril_121 | task2 | B | 2,7-dimethyldiazapyrenium | [
"((S)-2-amino-3-(4-(aminomethyl)phenyl)propanoyl)-L-methionine",
"2,7-dimethyldiazapyrenium",
"bicyclo[2.2.1]heptan-2-one",
"(2S)-2-amino-3-phenylpropanoic acidhydrochloride"
] | [
8.7243,
8.9705,
8.1825,
5.6021
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. ((S)-2-amino-3-(4-(aminomethyl)phenyl)p... | cb7_supplement | base |
t2_Cucurbit[7]uril_122 | task2 | B | Coptisine | [
"Pancuronium",
"Coptisine",
"Lithium chloride",
"(R)-1-(2-naphthyl)ethylammonium"
] | [
5.7709,
8.699,
2.3404,
7.0253
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Pancuronium (SMILES: CC(=O)OC1CC2CCC3C(... | cb7_supplement | base |
t2_Cucurbit[7]uril_123 | task2 | A | bicyclo[2.2.1]heptan-2-one | [
"bicyclo[2.2.1]heptan-2-one",
"1-Butanol",
"1-hexyl-3-methylimidazol-3-ium;bromide",
"Phenylalanylglycine"
] | [
8.1825,
4.79,
7.2788,
7.4771
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. bicyclo[2.2.1]heptan-2-one (SMILES: C1C... | cb7_supplement | base |
t2_Cucurbit[7]uril_124 | task2 | C | N-Butyladamantan-1-aminium | [
"Tetramethylrhodamine",
"Phe-Gly-Gly",
"N-Butyladamantan-1-aminium",
"Magnesium cation"
] | [
4.1461,
6.4782,
12,
1.6232
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Tetramethylrhodamine (SMILES: CN(C)C1=C... | cb7_supplement | base |
t2_Cucurbit[7]uril_125 | task2 | D | Proflavine | [
"Eucalyptol",
"Ammonium chloride",
"Dopamine hydrochloride",
"Proflavine"
] | [
5.9294,
2.8202,
5,
7.301
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Eucalyptol (SMILES: CC1(C2CCC(O1)(CC2)C... | cb7_supplement | base |
t2_Cucurbit[7]uril_126 | task2 | C | 1-Adamantanol | [
"AntNMe2+-2kPEG-OMe",
"6-Phenylamino-naphthalene-2-sulfonic acid anion",
"1-Adamantanol",
"Barium chloride"
] | [
3.9031,
2.7782,
10.3944,
5.0306
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. AntNMe2+-2kPEG-OMe (SMILES: COCCOCCOCCO... | cb7_supplement | base |
t2_Cucurbit[7]uril_127 | task2 | D | pentane-1,5-diamine dihydrochloride | [
"Rubidium chloride",
"1-Methyl-4-(pyridin-4-yl)pyridinium",
"Iron(III) chloride",
"pentane-1,5-diamine dihydrochloride"
] | [
3.425,
6.0792,
4.179,
8.1461
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Rubidium chloride (SMILES: [Cl-].[Rb+])... | cb7_supplement | base |
t2_Cucurbit[7]uril_128 | task2 | D | tBu Phe-Gly-Gly | [
"Dopamine",
"N-((5-chlorofuran-2-yl)methyl)prop-2-en-1-amine",
"Gly-AM Phe-Gly",
"tBu Phe-Gly-Gly"
] | [
5.6684,
5.6628,
6.2923,
6.6776
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Dopamine (SMILES: C1=CC(=C(C=C1CCN)O)O)... | cb7_supplement | base |
t2_Cucurbit[7]uril_129 | task2 | A | 1,3-Dimethylimidazolium | [
"1,3-Dimethylimidazolium",
"Calcium cation",
"Copper chloride",
"Histamine"
] | [
4.8751,
3.1461,
3.75,
4.5051
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. 1,3-Dimethylimidazolium (SMILES: CN1C=C... | cb7_supplement | base |
t2_Cucurbit[7]uril_130 | task2 | B | 1,3-Dimethylimidazolium | [
"Dimethyl sulfoxide",
"1,3-Dimethylimidazolium",
"6-Phenylamino-naphthalene-2-sulfonic acid anion",
"Lithium ion"
] | [
2.13,
4.8751,
2.7782,
1.415
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Dimethyl sulfoxide (SMILES: CS(=O)C).
B... | cb7_supplement | base |
t2_Cucurbit[7]uril_131 | task2 | B | 7-Methoxy-4-methylflavylium cation | [
"Thr-Gly-Gly-Phe-Met-NH2",
"7-Methoxy-4-methylflavylium cation",
"Brilliant green",
"tyrosylmethionine"
] | [
4.3495,
5.9287,
4.2304,
5.8062
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Thr-Gly-Gly-Phe-Met-NH2 (SMILES: CSCC[C... | cb7_supplement | base |
t2_Cucurbit[7]uril_132 | task2 | B | Cyclohexanone | [
"Sodium chloride",
"Cyclohexanone",
"1-methyl-3-[[4-[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]phenyl]methyl]imidazol-1-ium",
"Tryptophyl-Glycine"
] | [
3.4099,
7.2798,
5.2742,
5.7482
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Sodium chloride (SMILES: [Na+].[Cl-]).
... | cb7_supplement | base |
t2_Cucurbit[7]uril_133 | task2 | D | bis(Trimethylamminomethyl)ferrocene | [
"Calcium chloride",
"1-ethyl-3-methylimidazolium chloride",
"(E)-4-(2-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)vinyl)-1-(3-(trimethylammonio)propyl)pyridin-1-ium bromide",
"bis(Trimethylamminomethyl)ferrocene"
] | [
4.1295,
5.2553,
14.8899,
15.5002
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Calcium chloride (SMILES: [Cl-].[Cl-].[... | cb7_supplement | base |
t2_Cucurbit[7]uril_134 | task2 | C | Coptisine | [
"Rubidium chloride",
"N-(furan-2-ylmethyl)prop-2-en-1-amine",
"Coptisine",
"Zinc chloride"
] | [
3.425,
6.4771,
8.699,
3.4
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. Rubidium chloride (SMILES: [Cl-].[Rb+])... | cb7_supplement | base |
t2_Cucurbit[7]uril_135 | task2 | A | L-Phe-L-leucine-amide | [
"L-Phe-L-leucine-amide",
"Aluminum cation",
"1-Hexanol",
"Proflavine"
] | [
7.6348,
4.3911,
5.7756,
7.301
] | Cucurbit[7]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[7]uril in aqueous solution at standard conditions?
A. L-Phe-L-leucine-amide (SMILES: CC(C)CC(... | cb7_supplement | base |
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