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_Mono[2-O-(2-hydroxypropyl)]-β-Cyclodextrin_4 | task2 | B | Rhodamine B | [
"8-(phenylamino)naphthalene-1-sulfonic acid",
"Rhodamine B",
"Brilliant cresyl blue",
"6-(p-toluidino)-2-naphthalenesulfonic acid sodium salt"
] | [
2.415,
3.5843,
2.9294,
3.4814
] | Mono[2-O-(2-hydroxypropyl)]-β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Mono[2-O-(2-hydroxypropyl)]-β-Cyclodextrin in aqueous solution at standard conditions?
A. 8-(phenylami... | eupmc | base |
t2_Mono[6-(R(-)-1-hydroxymethylpropylamino)-6-deoxy]β-Cyclodextrin_0 | task2 | C | Cholic acid, monosodium salt | [
"Sodium deoxycholate",
"Sodium taurocholate",
"Cholic acid, monosodium salt",
"Sodium glycocholate"
] | [
3.9723,
3.4465,
4.2279,
3.5915
] | Mono[6-(R(-)-1-hydroxymethylpropylamino)-6-deoxy]β-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Mono[6-(R(-)-1-hydroxymethylpropylamino)-6-deoxy]β-Cyclodextrin in aqueous solution at standard conditi... | eupmc | base |
t2_Monohydroxycucurbit[7]uril_0 | task2 | C | 1-Adamantylammonium chloride | [
"1,4-Phenylenediamine dihydrochloride",
"butane-1,4-diamine;dihydrochloride",
"1-Adamantylammonium chloride",
"pentane-1,5-diamine dihydrochloride"
] | [
6.1461,
5.7782,
10.9868,
8.0792
] | Monohydroxycucurbit[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 Monohydroxycucurbit[7]uril in aqueous solution at standard conditions?
A. 1,4-Phenylenediamine dihydro... | eupmc | base |
t2_Monohydroxycucurbit[7]uril_1 | task2 | A | 1-Adamantylammonium chloride | [
"1-Adamantylammonium chloride",
"4,4'-Bipyridine dihydrochloride",
"p-xylylenediamine dihydrochloride",
"Methyl viologen"
] | [
10.9868,
6.3222,
9.1461,
7.2041
] | Monohydroxycucurbit[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 Monohydroxycucurbit[7]uril in aqueous solution at standard conditions?
A. 1-Adamantylammonium chloride... | eupmc | base |
t2_Monohydroxycucurbit[7]uril_2 | task2 | A | 1-Adamantylammonium chloride | [
"1-Adamantylammonium chloride",
"pentane-1,5-diamine dihydrochloride",
"butane-1,4-diamine;dihydrochloride",
"p-xylylenediamine dihydrochloride"
] | [
10.9868,
8.0792,
5.7782,
9.1461
] | Monohydroxycucurbit[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 Monohydroxycucurbit[7]uril in aqueous solution at standard conditions?
A. 1-Adamantylammonium chloride... | eupmc | base |
t2_Monohydroxycucurbit[7]uril_3 | task2 | D | 1-Adamantylammonium chloride | [
"butane-1,4-diamine;dihydrochloride",
"4,4'-Bipyridine dihydrochloride",
"1,4-Phenylenediamine dihydrochloride",
"1-Adamantylammonium chloride"
] | [
5.7782,
6.3222,
6.1461,
10.9868
] | Monohydroxycucurbit[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 Monohydroxycucurbit[7]uril in aqueous solution at standard conditions?
A. butane-1,4-diamine;dihydroch... | eupmc | base |
t2_Monohydroxycucurbit[7]uril_4 | task2 | A | 1-Adamantylammonium chloride | [
"1-Adamantylammonium chloride",
"(2S)-2-amino-3-phenylpropanoic acidhydrochloride",
"1,4-Phenylenediamine dihydrochloride",
"4,4'-Bipyridine dihydrochloride"
] | [
10.9868,
5.5798,
6.1461,
6.3222
] | Monohydroxycucurbit[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 Monohydroxycucurbit[7]uril in aqueous solution at standard conditions?
A. 1-Adamantylammonium chloride... | eupmc | base |
t2_Monohydroxycucurbit[7]uril_5 | task2 | C | Methyl viologen | [
"1,4-Phenylenediamine dihydrochloride",
"4,4'-Bipyridine dihydrochloride",
"Methyl viologen",
"butane-1,4-diamine;dihydrochloride"
] | [
6.1461,
6.3222,
7.2041,
5.7782
] | Monohydroxycucurbit[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 Monohydroxycucurbit[7]uril in aqueous solution at standard conditions?
A. 1,4-Phenylenediamine dihydro... | eupmc | base |
t2_Monohydroxycucurbit[7]uril_6 | task2 | C | 1-Adamantylammonium chloride | [
"(2S)-2-amino-3-phenylpropanoic acidhydrochloride",
"Methyl viologen",
"1-Adamantylammonium chloride",
"p-xylylenediamine dihydrochloride"
] | [
5.5798,
7.2041,
10.9868,
9.1461
] | Monohydroxycucurbit[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 Monohydroxycucurbit[7]uril in aqueous solution at standard conditions?
A. (2S)-2-amino-3-phenylpropano... | eupmc | base |
t2_Monohydroxycucurbit[7]uril_7 | task2 | D | 1-Adamantylammonium chloride | [
"1,4-Phenylenediamine dihydrochloride",
"Methyl viologen",
"pentane-1,5-diamine dihydrochloride",
"1-Adamantylammonium chloride"
] | [
6.1461,
7.2041,
8.0792,
10.9868
] | Monohydroxycucurbit[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 Monohydroxycucurbit[7]uril in aqueous solution at standard conditions?
A. 1,4-Phenylenediamine dihydro... | eupmc | base |
t2_Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6]_0 | task2 | B | 1,4-Diaminobutane | [
"L-Histidine",
"1,4-Diaminobutane",
"(+)-(1S,2S)-2-Methylamino-1-phenyl-propan-1-ol",
"Histidinol"
] | [
3.2304,
6,
2.6532,
3.4624
] | Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[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 Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6] in aqueous solution at standard conditio... | eupmc | base |
t2_Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6]_1 | task2 | C | Pentane-1,5-diamine | [
"(+)-(1S,2S)-2-Methylamino-1-phenyl-propan-1-ol",
"Lisinopril",
"Pentane-1,5-diamine",
"Agmatine"
] | [
2.6532,
2.8573,
6,
6
] | Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[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 Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6] in aqueous solution at standard conditio... | eupmc | base |
t2_Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6]_2 | task2 | C | Nizatidine | [
"L-Histidine",
"L-Ornithine",
"Nizatidine",
"Histamine"
] | [
3.2304,
2.9956,
4.8692,
4.469
] | Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[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 Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6] in aqueous solution at standard conditio... | eupmc | base |
t2_Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6]_3 | task2 | D | Pentane-1,5-diamine | [
"Famotidine",
"L-Histidine",
"Acetaminophen",
"Pentane-1,5-diamine"
] | [
4.0792,
3.2304,
3.8388,
6
] | Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[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 Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6] in aqueous solution at standard conditio... | eupmc | base |
t2_Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6]_4 | task2 | B | Famotidine | [
"Histidinol",
"Famotidine",
"Doxylamine",
"L-Arginine"
] | [
3.4624,
4.0792,
3.5315,
3.2553
] | Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[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 Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6] in aqueous solution at standard conditio... | eupmc | base |
t2_Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6]_5 | task2 | A | Agmatine | [
"Agmatine",
"(+)-(1S,2S)-2-Methylamino-1-phenyl-propan-1-ol",
"1,4-Diaminobutane",
"L-Arginine"
] | [
6,
2.6532,
6,
3.2553
] | Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[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 Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6] in aqueous solution at standard conditio... | eupmc | base |
t2_Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6]_6 | task2 | D | Pentane-1,5-diamine | [
"Acetaminophen",
"L-Histidine",
"Nizatidine",
"Pentane-1,5-diamine"
] | [
3.8388,
3.2304,
4.8692,
6
] | Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[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 Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6] in aqueous solution at standard conditio... | eupmc | base |
t2_Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6]_7 | task2 | D | Histamine | [
"(+)-(1S,2S)-2-Methylamino-1-phenyl-propan-1-ol",
"Histidinol",
"Acetaminophen",
"Histamine"
] | [
2.6532,
3.4624,
3.8388,
4.469
] | Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[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 Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6] in aqueous solution at standard conditio... | eupmc | base |
t2_Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6]_8 | task2 | A | Acetaminophen | [
"Acetaminophen",
"Doxylamine",
"L-Histidine",
"L-Lysine"
] | [
3.8388,
3.5315,
3.2304,
3.2041
] | Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[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 Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6] in aqueous solution at standard conditio... | eupmc | base |
t2_Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6]_9 | task2 | D | Famotidine | [
"L-Histidine",
"L-Arginine",
"Doxylamine",
"Famotidine"
] | [
3.2304,
3.2553,
3.5315,
4.0792
] | Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[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 Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6] in aqueous solution at standard conditio... | eupmc | base |
t2_Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6]_10 | task2 | D | Famotidine | [
"Histidinol",
"L-Histidine",
"(+)-(1S,2S)-2-Methylamino-1-phenyl-propan-1-ol",
"Famotidine"
] | [
3.4624,
3.2304,
2.6532,
4.0792
] | Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[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 Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6] in aqueous solution at standard conditio... | eupmc | base |
t2_Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6]_11 | task2 | D | Ranitidine | [
"Acetaminophen",
"Doxylamine",
"Histamine",
"Ranitidine"
] | [
3.8388,
3.5315,
4.469,
4.5441
] | Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[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 Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6] in aqueous solution at standard conditio... | eupmc | base |
t2_Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6]_12 | task2 | D | 1,4-Diaminobutane | [
"Histamine",
"Doxylamine",
"Ranitidine",
"1,4-Diaminobutane"
] | [
4.469,
3.5315,
4.5441,
6
] | Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[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 Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6] in aqueous solution at standard conditio... | eupmc | base |
t2_Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6]_13 | task2 | A | Famotidine | [
"Famotidine",
"L-Arginine",
"Acetaminophen",
"L-Histidine"
] | [
4.0792,
3.2553,
3.8388,
3.2304
] | Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[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 Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6] in aqueous solution at standard conditio... | eupmc | base |
t2_Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6]_14 | task2 | D | 1,4-Diaminobutane | [
"Nizatidine",
"Acetaminophen",
"L-Histidine",
"1,4-Diaminobutane"
] | [
4.8692,
3.8388,
3.2304,
6
] | Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[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 Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6] in aqueous solution at standard conditio... | eupmc | base |
t2_Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6]_15 | task2 | D | Ranitidine | [
"Doxylamine",
"L-Ornithine",
"Lisinopril",
"Ranitidine"
] | [
3.5315,
2.9956,
2.8573,
4.5441
] | Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[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 Napthalene-monofunctionalized cucurbit[6]uril, Cucurbituril[6] in aqueous solution at standard conditio... | eupmc | base |
t2_Octa acid cavitand_0 | task2 | D | 4-Bromoadamantane-1-carboxylic acid | [
"Adamantan-1-yl-trimethyl-ammonium",
"cyclohexanecarboxylic acid",
"Decanoic acid",
"4-Bromoadamantane-1-carboxylic acid"
] | [
6.0374,
4.1239,
5.5119,
6.871
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_1 | task2 | D | beta-Estradiol | [
"4-Chlorobenzoic acid",
"Decanoic acid",
"1-Hexanaminium, N,N,N-trimethyl-chloride",
"beta-Estradiol"
] | [
4.9967,
5.5119,
3.6802,
8
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_2 | task2 | B | 4-bromobenzoic acid | [
"Cyclopentylacetic acid",
"4-bromobenzoic acid",
"Sodium trifluoromethanesulfonate",
"Sodium thiocyanate"
] | [
4.1673,
5.7505,
2.1615,
1.6435
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_3 | task2 | C | 1-Adamantanecarboxylic acid | [
"Trans-2-hexenoic acid",
"Cyclopentylacetic acid",
"1-Adamantanecarboxylic acid",
"Sodium cyanoborohydride"
] | [
3.4099,
4.1673,
6.9031,
2.004
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_4 | task2 | C | cyclohexanecarboxylic acid | [
"4-Cyanobenzoic acid",
"Sodium trifluoromethanesulfonate",
"cyclohexanecarboxylic acid",
"4-Methylpentanoic acid"
] | [
3.2886,
2.1615,
4.1239,
3.6405
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_5 | task2 | C | beta-Estradiol | [
"cyclohexanecarboxylic acid",
"Sodium periodate",
"beta-Estradiol",
"4-Methylpentanoic acid"
] | [
4.1239,
2.3345,
8,
3.6405
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_6 | task2 | D | Adamantan-1-yl-trimethyl-ammonium | [
"Benzoic acid",
"cyclopentanecarboxylic acid",
"Sodium perrhenate",
"Adamantan-1-yl-trimethyl-ammonium"
] | [
2.7316,
2.7348,
2.5386,
6.0374
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_7 | task2 | B | (s)-(-)-perillic acid | [
"Sodium periodate",
"(s)-(-)-perillic acid",
"Sodium trifluoromethanesulfonate",
"Sodium cyanoborohydride"
] | [
2.3345,
6.0438,
2.1615,
2.004
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_8 | task2 | B | Cycloheptanecarboxylic acid | [
"4-Ethylbenzoic acid",
"Cycloheptanecarboxylic acid",
"Sodium trichloroacetate",
"3-Nitrobenzoic acid"
] | [
4.6021,
4.8613,
3.7664,
3.7527
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_9 | task2 | C | trans-4-methylcyclohexyl(trimethyl)ammonium | [
"m-Chlorobenzoic acid",
"1-Hexanaminium, N,N,N-trimethyl-chloride",
"trans-4-methylcyclohexyl(trimethyl)ammonium",
"Sodium hexafluorophosphate"
] | [
3.8482,
3.6802,
4.4564,
3.0532
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_10 | task2 | D | Cycloheptanecarboxylic acid | [
"Sodium dichloroacetate",
"1-Hexanaminium, N,N,N-trimethyl-chloride",
"cyclohexanecarboxylic acid",
"Cycloheptanecarboxylic acid"
] | [
1.7075,
3.6802,
4.1239,
4.8613
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_11 | task2 | B | Decanoic acid | [
"1-Hexanaminium, N,N,N-trimethyl-chloride",
"Decanoic acid",
"Sodium trifluoromethanesulfonate",
"Sodium perrhenate"
] | [
3.6802,
5.5119,
2.1615,
2.5386
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_12 | task2 | A | 4-Ethylbenzoic acid | [
"4-Ethylbenzoic acid",
"Sodium methanesulfonothioate",
"Sodium periodate",
"5-Hexenoic acid"
] | [
4.6021,
2.7058,
2.3345,
3.7931
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_13 | task2 | B | (s)-(-)-citronellic acid | [
"5-hexynoic acid",
"(s)-(-)-citronellic acid",
"Sodium periodate",
"cyclopentanecarboxylic acid"
] | [
3.8277,
5.0896,
2.3345,
2.7348
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_14 | task2 | A | 1-Octanoic acid | [
"1-Octanoic acid",
"cyclohexanecarboxylic acid",
"m-Chlorobenzoic acid",
"Sodium trifluoromethanesulfonate"
] | [
4.9069,
4.1239,
3.8482,
2.1615
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_15 | task2 | B | beta-Estradiol | [
"1-Adamantanecarboxylic acid",
"beta-Estradiol",
"Hexanoic acid",
"4-Chlorobenzoic acid"
] | [
6.9031,
8,
3.7332,
4.9967
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_16 | task2 | A | Hexanoic acid | [
"Hexanoic acid",
"Sodium thiocyanate",
"Sodium periodate",
"Sodium hexafluorophosphate"
] | [
3.7332,
1.6435,
2.3345,
3.0532
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_17 | task2 | A | (s)-(-)-citronellic acid | [
"(s)-(-)-citronellic acid",
"Sodium methanesulfonothioate",
"cyclopentanecarboxylic acid",
"Sodium perrhenate"
] | [
5.0896,
2.7058,
2.7348,
2.5386
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_18 | task2 | B | (s)-(-)-perillic acid | [
"(s)-(-)-citronellic acid",
"(s)-(-)-perillic acid",
"cyclohexanecarboxylic acid",
"4-Chlorobenzoic acid"
] | [
5.0896,
6.0438,
4.1239,
4.9967
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_19 | task2 | A | Adamantan-1-yl-trimethyl-ammonium | [
"Adamantan-1-yl-trimethyl-ammonium",
"Sodium trifluoromethanesulfonate",
"4-Chlorobenzoic acid",
"Trans-2-hexenoic acid"
] | [
6.0374,
2.1615,
4.9967,
3.4099
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_20 | task2 | D | 3-Nitrobenzoic acid | [
"Sodium periodate",
"Sodium trifluoromethanesulfonate",
"N,N,N-Trimethyl-2-phenylethan-1-aminium chloride",
"3-Nitrobenzoic acid"
] | [
2.3345,
2.1615,
3.1672,
3.7527
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_21 | task2 | D | beta-Estradiol | [
"4-Methylpentanoic acid",
"Cyclopentylacetic acid",
"cyclopentanecarboxylic acid",
"beta-Estradiol"
] | [
3.6405,
4.1673,
2.7348,
8
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_22 | task2 | B | 1-Octanoic acid | [
"4-Methylpentanoic acid",
"1-Octanoic acid",
"1-Hexanaminium, N,N,N-trimethyl-chloride",
"cyclopentanecarboxylic acid"
] | [
3.6405,
4.9069,
3.6802,
2.7348
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_23 | task2 | C | Lauric acid | [
"Sodium cyanoborohydride",
"(s)-(-)-citronellic acid",
"Lauric acid",
"Sodium perrhenate"
] | [
2.004,
5.0896,
5.6222,
2.5386
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_24 | task2 | D | 1-Adamantanecarboxylic acid | [
"Sodium iodide",
"Sodium cyanoborohydride",
"(s)-(-)-perillic acid",
"1-Adamantanecarboxylic acid"
] | [
1.2304,
2.004,
6.0438,
6.9031
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_25 | task2 | D | trans-4-methylcyclohexyl(trimethyl)ammonium | [
"Sodium trichloroacetate",
"Sodium methanesulfonothioate",
"Sodium perrhenate",
"trans-4-methylcyclohexyl(trimethyl)ammonium"
] | [
3.7664,
2.7058,
2.5386,
4.4564
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_26 | task2 | B | Adamantan-1-yl-trimethyl-ammonium | [
"Sodium trifluoromethanesulfonate",
"Adamantan-1-yl-trimethyl-ammonium",
"Sodium iodide",
"Sodium hexafluorophosphate"
] | [
2.1615,
6.0374,
1.2304,
3.0532
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_27 | task2 | D | m-Chlorobenzoic acid | [
"N,N,N-Trimethyl-2-phenylethan-1-aminium chloride",
"Benzoic acid",
"2-methyl-4-pentenoic acid",
"m-Chlorobenzoic acid"
] | [
3.1672,
2.7316,
3.3674,
3.8482
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_28 | task2 | D | 4-Methylbenzoic acid | [
"Sodium hexafluorophosphate",
"5-hexynoic acid",
"Hexanoic acid",
"4-Methylbenzoic acid"
] | [
3.0532,
3.8277,
3.7332,
4.2989
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_29 | task2 | D | 4-Bromoadamantane-1-carboxylic acid | [
"Trans-2-hexenoic acid",
"2-methyl-4-pentenoic acid",
"1-Octanoic acid",
"4-Bromoadamantane-1-carboxylic acid"
] | [
3.4099,
3.3674,
4.9069,
6.871
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_30 | task2 | C | 4-Ethylbenzoic acid | [
"cyclopentanecarboxylic acid",
"Cyclopentylacetic acid",
"4-Ethylbenzoic acid",
"Benzoic acid"
] | [
2.7348,
4.1673,
4.6021,
2.7316
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_31 | task2 | D | 4-Methylbenzoic acid | [
"5-Hexenoic acid",
"Sodium methanesulfonothioate",
"Sodium dicyanamide",
"4-Methylbenzoic acid"
] | [
3.7931,
2.7058,
1.2841,
4.2989
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_32 | task2 | A | 4-Chlorobenzoic acid | [
"4-Chlorobenzoic acid",
"Sodium methanesulfonothioate",
"1-Hexanaminium, N,N,N-trimethyl-chloride",
"Sodium hexafluorophosphate"
] | [
4.9967,
2.7058,
3.6802,
3.0532
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_33 | task2 | B | 4-Bromoadamantane-1-carboxylic acid | [
"(s)-(-)-perillic acid",
"4-Bromoadamantane-1-carboxylic acid",
"Sodium methanesulfonothioate",
"Cyclopentylacetic acid"
] | [
6.0438,
6.871,
2.7058,
4.1673
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_34 | task2 | B | (s)-(-)-perillic acid | [
"5-hexynoic acid",
"(s)-(-)-perillic acid",
"Adamantan-1-yl-trimethyl-ammonium",
"1-Octanoic acid"
] | [
3.8277,
6.0438,
6.0374,
4.9069
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_35 | task2 | D | Cycloheptanecarboxylic acid | [
"4-Ethylbenzoic acid",
"Sodium thiocyanate",
"Sodium perrhenate",
"Cycloheptanecarboxylic acid"
] | [
4.6021,
1.6435,
2.5386,
4.8613
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_36 | task2 | A | Adamantan-1-yl-trimethyl-ammonium | [
"Adamantan-1-yl-trimethyl-ammonium",
"Hexanoic acid",
"4-Ethylbenzoic acid",
"Sodium iodide"
] | [
6.0374,
3.7332,
4.6021,
1.2304
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_37 | task2 | D | Lauric acid | [
"Trans-2-hexenoic acid",
"Sodium hexafluorophosphate",
"3-Nitrobenzoic acid",
"Lauric acid"
] | [
3.4099,
3.0532,
3.7527,
5.6222
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_38 | task2 | A | 1-Adamantanecarboxylic acid | [
"1-Adamantanecarboxylic acid",
"Sodium dicyanamide",
"N,N,N-Trimethyl-2-phenylethan-1-aminium chloride",
"4-Chlorobenzoic acid"
] | [
6.9031,
1.2841,
3.1672,
4.9967
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_39 | task2 | D | trans-4-methylcyclohexyl(trimethyl)ammonium | [
"5-Hexenoic acid",
"Sodium cyanoborohydride",
"cyclopentanecarboxylic acid",
"trans-4-methylcyclohexyl(trimethyl)ammonium"
] | [
3.7931,
2.004,
2.7348,
4.4564
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_40 | task2 | D | 1-Octanoic acid | [
"5-Hexenoic acid",
"3-Nitrobenzoic acid",
"Cyclopentylacetic acid",
"1-Octanoic acid"
] | [
3.7931,
3.7527,
4.1673,
4.9069
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_41 | task2 | C | (s)-(-)-perillic acid | [
"(s)-(-)-citronellic acid",
"Decanoic acid",
"(s)-(-)-perillic acid",
"4-bromobenzoic acid"
] | [
5.0896,
5.5119,
6.0438,
5.7505
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Octa acid cavitand_42 | task2 | D | 1-Hexanaminium, N,N,N-trimethyl-chloride | [
"Sodium trifluoromethanesulfonate",
"4-Cyanobenzoic acid",
"Sodium cyanoborohydride",
"1-Hexanaminium, N,N,N-trimethyl-chloride"
] | [
2.1615,
3.2886,
2.004,
3.6802
] | Octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Octa acid cavitand (SMILES: C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7... | eupmc | base |
t2_Oxatub[4]arene TA4_0 | task2 | B | tetraethylazanium | [
"6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazine-5,8-diium",
"tetraethylazanium",
"trimethylsulfanium",
"N-(2-bromobenzyl)-1-(2-bromophenyl)-N,N-dimethylmethanaminium"
] | [
3.2472,
3.9954,
2.5465,
2.0212
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. 6,7-dihydrodipyrido[1,2-a:2',1'-c]py... | eupmc | base |
t2_Oxatub[4]arene TA4_1 | task2 | A | N,N-dimethyl-N-(3-methylbenzyl)-1-(m-tolyl)methanaminium | [
"N,N-dimethyl-N-(3-methylbenzyl)-1-(m-tolyl)methanaminium",
"(E)-4,4'-(ethene-1,2-diyl)bis(1-methylpyridin-1-ium)",
"dibenzyl(diethyl)azanium",
"1,3-dimethyl-1H-imidazol-3-ium"
] | [
4.6767,
3.4701,
2.5391,
2.5821
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. N,N-dimethyl-N-(3-methylbenzyl)-1-(m... | eupmc | base |
t2_Oxatub[4]arene TA4_2 | task2 | D | N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium | [
"(E)-4,4'-(ethene-1,2-diyl)bis(1-methylpyridin-1-ium)",
"N,N-dimethyl-N-(4-(trifluoromethyl)benzyl)-1-(4-(trifluoromethyl)phenyl)methanaminium",
"N,N-dimethyl-1-(naphthalen-1-yl)-N-(naphthalen-1-ylmethyl)methanaminium",
"N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium"
] | [
3.4701,
5.6866,
4.5038,
6.1987
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. (E)-4,4'-(ethene-1,2-diyl)bis(1-meth... | eupmc | base |
t2_Oxatub[4]arene TA4_3 | task2 | A | N-(4-(tert-butyl)benzyl)-1-(4-(tert-butyl)phenyl)-N,N-dimethylmethanaminium | [
"N-(4-(tert-butyl)benzyl)-1-(4-(tert-butyl)phenyl)-N,N-dimethylmethanaminium",
"N,N-dimethyl-1-(naphthalen-1-yl)-N-(naphthalen-1-ylmethyl)methanaminium",
"2-methylisoquinolin-2-ium",
"tetraethylazanium"
] | [
5.0828,
4.5038,
2.9699,
3.9954
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. N-(4-(tert-butyl)benzyl)-1-(4-(tert-... | eupmc | base |
t2_Oxatub[4]arene TA4_4 | task2 | D | (cobaltocene)+ | [
"(E)-4,4'-(ethene-1,2-diyl)bis(1-methylpyridin-1-ium)",
"N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(methylthio)phenyl)methanaminium",
"trimethylsulfanium",
"(cobaltocene)+"
] | [
3.4701,
5.4786,
2.5465,
5.5315
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. (E)-4,4'-(ethene-1,2-diyl)bis(1-meth... | eupmc | base |
t2_Oxatub[4]arene TA4_5 | task2 | A | N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium | [
"N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium",
"dibenzyl(diethyl)azanium",
"6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazine-5,8-diium",
"N,N-dimethyl-N-(4-(trifluoromethyl)benzyl)-1-(4-(trifluoromethyl)phenyl)methanaminium"
] | [
6.1987,
2.5391,
3.2472,
5.6866
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-... | eupmc | base |
t2_Oxatub[4]arene TA4_6 | task2 | C | dibenzyl(dimethyl)azanium | [
"N-(4-(tert-butyl)benzyl)-1-(4-(tert-butyl)phenyl)-N,N-dimethylmethanaminium",
"1-hexylpyridin-1-ium",
"dibenzyl(dimethyl)azanium",
"2-methylisoquinolin-2-ium"
] | [
5.0828,
3.387,
5.2253,
2.9699
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. N-(4-(tert-butyl)benzyl)-1-(4-(tert-... | eupmc | base |
t2_Oxatub[4]arene TA4_7 | task2 | A | N,N-dimethyl-N-(4-(trifluoromethyl)benzyl)-1-(4-(trifluoromethyl)phenyl)methanaminium | [
"N,N-dimethyl-N-(4-(trifluoromethyl)benzyl)-1-(4-(trifluoromethyl)phenyl)methanaminium",
"N,N-dimethyl-N-(3-methylbenzyl)-1-(m-tolyl)methanaminium",
"2-methylisoquinolin-2-ium",
"6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazine-5,8-diium"
] | [
5.6866,
4.6767,
2.9699,
3.2472
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. N,N-dimethyl-N-(4-(trifluoromethyl)b... | eupmc | base |
t2_Oxatub[4]arene TA4_8 | task2 | A | N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylmethanaminium | [
"N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylmethanaminium",
"N,N-dimethyl-1-(naphthalen-1-yl)-N-(naphthalen-1-ylmethyl)methanaminium",
"N-(2-bromobenzyl)-1-(2-bromophenyl)-N,N-dimethylmethanaminium",
"tetraethylazanium"
] | [
6.1875,
4.5038,
2.0212,
3.9954
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. N-(4-iodobenzyl)-1-(4-iodophenyl)-N,... | eupmc | base |
t2_Oxatub[4]arene TA4_9 | task2 | A | N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium | [
"N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium",
"2-methylisoquinolin-2-ium",
"N-(4-(tert-butyl)benzyl)-1-(4-(tert-butyl)phenyl)-N,N-dimethylmethanaminium",
"N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylmethanaminium"
] | [
6.1987,
2.9699,
5.0828,
6.1875
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-... | eupmc | base |
t2_Oxatub[4]arene TA4_10 | task2 | D | N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium | [
"tetraethylazanium",
"N,N-dimethyl-N-(3-methylbenzyl)-1-(m-tolyl)methanaminium",
"N,N-dibenzyl-N-methylethanaminium",
"N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium"
] | [
3.9954,
4.6767,
2.5378,
6.1987
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. tetraethylazanium (SMILES: CC[N+](CC... | eupmc | base |
t2_Oxatub[4]arene TA4_11 | task2 | C | N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylmethanaminium | [
"1-hexylpyridin-1-ium",
"2-methylisoquinolin-2-ium",
"N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylmethanaminium",
"N,N-dimethyl-N-(3-methylbenzyl)-1-(m-tolyl)methanaminium"
] | [
3.387,
2.9699,
6.1875,
4.6767
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. 1-hexylpyridin-1-ium.
B. 2-methyliso... | eupmc | base |
t2_Oxatub[4]arene TA4_12 | task2 | B | N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-dimethylmethanaminium | [
"(E)-4,4'-(ethene-1,2-diyl)bis(1-methylpyridin-1-ium)",
"N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-dimethylmethanaminium",
"N-(4-(tert-butyl)benzyl)-1-(4-(tert-butyl)phenyl)-N,N-dimethylmethanaminium",
"1-hexylpyridin-1-ium"
] | [
3.4701,
5.8189,
5.0828,
3.387
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. (E)-4,4'-(ethene-1,2-diyl)bis(1-meth... | eupmc | base |
t2_Oxatub[4]arene TA4_13 | task2 | B | N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylmethanaminium | [
"1,3-dimethyl-1H-imidazol-3-ium",
"N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylmethanaminium",
"2-methylisoquinolin-2-ium",
"tetraethylazanium"
] | [
2.5821,
6.1875,
2.9699,
3.9954
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. 1,3-dimethyl-1H-imidazol-3-ium.
B. N... | eupmc | base |
t2_Oxatub[4]arene TA4_14 | task2 | D | N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium | [
"N,N-dibenzyl-N-methylethanaminium",
"N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylmethanaminium",
"1-hexylpyridin-1-ium",
"N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium"
] | [
2.5378,
6.1875,
3.387,
6.1987
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. N,N-dibenzyl-N-methylethanaminium (S... | eupmc | base |
t2_Oxatub[4]arene TA4_15 | task2 | B | N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-dimethylmethanaminium | [
"N,N-dibenzyl-N-methylethanaminium",
"N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-dimethylmethanaminium",
"N,N-dimethyl-1-(naphthalen-1-yl)-N-(naphthalen-1-ylmethyl)methanaminium",
"N,N-dimethyl-N-(4-(trifluoromethyl)benzyl)-1-(4-(trifluoromethyl)phenyl)methanaminium"
] | [
2.5378,
5.8189,
4.5038,
5.6866
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. N,N-dibenzyl-N-methylethanaminium (S... | eupmc | base |
t2_Oxatub[4]arene TA4_16 | task2 | C | N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium | [
"dibenzyl(dimethyl)azanium",
"N-(2-bromobenzyl)-1-(2-bromophenyl)-N,N-dimethylmethanaminium",
"N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium",
"6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazine-5,8-diium"
] | [
5.2253,
2.0212,
6.1987,
3.2472
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. dibenzyl(dimethyl)azanium (SMILES: C... | eupmc | base |
t2_Oxatub[4]arene TA4_17 | task2 | A | N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylmethanaminium | [
"N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylmethanaminium",
"1-hexylpyridin-1-ium",
"N,N-dimethyl-1-(naphthalen-1-yl)-N-(naphthalen-1-ylmethyl)methanaminium",
"(cobaltocene)+"
] | [
6.1875,
3.387,
4.5038,
5.5315
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. N-(4-iodobenzyl)-1-(4-iodophenyl)-N,... | eupmc | base |
t2_Oxatub[4]arene TA4_18 | task2 | A | N,N-dimethyl-N-(4-(trifluoromethyl)benzyl)-1-(4-(trifluoromethyl)phenyl)methanaminium | [
"N,N-dimethyl-N-(4-(trifluoromethyl)benzyl)-1-(4-(trifluoromethyl)phenyl)methanaminium",
"2-methylisoquinolin-2-ium",
"(cobaltocene)+",
"N-(4-(tert-butyl)benzyl)-1-(4-(tert-butyl)phenyl)-N,N-dimethylmethanaminium"
] | [
5.6866,
2.9699,
5.5315,
5.0828
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. N,N-dimethyl-N-(4-(trifluoromethyl)b... | eupmc | base |
t2_Oxatub[4]arene TA4_19 | task2 | B | N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(methylthio)phenyl)methanaminium | [
"N-(3-methoxybenzyl)-1-(3-methoxyphenyl)-N,N-dimethylmethanaminium",
"N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(methylthio)phenyl)methanaminium",
"dibenzyl(diethyl)azanium",
"tetraethylazanium"
] | [
4.5999,
5.4786,
2.5391,
3.9954
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. N-(3-methoxybenzyl)-1-(3-methoxyphen... | eupmc | base |
t2_Oxatub[4]arene TA4_20 | task2 | D | N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylmethanaminium | [
"N-(4-bromobenzyl)-1-(4-bromophenyl)-N,N-dimethylmethanaminium",
"2-methylisoquinolin-2-ium",
"N,N-dimethyl-1-(naphthalen-1-yl)-N-(naphthalen-1-ylmethyl)methanaminium",
"N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylmethanaminium"
] | [
5.9258,
2.9699,
4.5038,
6.1875
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. N-(4-bromobenzyl)-1-(4-bromophenyl)-... | eupmc | base |
t2_Oxatub[4]arene TA4_21 | task2 | B | N-(4-bromobenzyl)-1-(4-bromophenyl)-N,N-dimethylmethanaminium | [
"N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-dimethylmethanaminium",
"N-(4-bromobenzyl)-1-(4-bromophenyl)-N,N-dimethylmethanaminium",
"N,N-dibenzyl-N-methylethanaminium",
"N-(2-bromobenzyl)-1-(2-bromophenyl)-N,N-dimethylmethanaminium"
] | [
5.8189,
5.9258,
2.5378,
2.0212
] | Oxatub[4]arene TA4 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Oxatub[4]arene TA4 in aqueous solution at standard conditions?
A. N-(4-chlorobenzyl)-1-(4-chlorophenyl... | eupmc | base |
t2_Positand 1_0 | task2 | C | Sodium trichloroacetate | [
"Sodium perrhenate",
"Sodium trifluoromethanesulfonate",
"Sodium trichloroacetate",
"Sodium thiocyanate"
] | [
3.5563,
3.2752,
4.847,
3.1101
] | Positand 1 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Positand 1 in aqueous solution at standard conditions?
A. Sodium perrhenate (SMILES: [O-][Re](=O)(=O)=... | eupmc | base |
t2_Positand 1_1 | task2 | A | 1-Adamantanecarboxylic acid | [
"1-Adamantanecarboxylic acid",
"Sodium cyanoborohydride",
"4-Methylbenzoic acid",
"Sodium thiocyanate"
] | [
6.8579,
3.3351,
4.4843,
3.1101
] | Positand 1 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Positand 1 in aqueous solution at standard conditions?
A. 1-Adamantanecarboxylic acid (SMILES: C1C2CC3... | eupmc | base |
t2_Positand 1_2 | task2 | C | 4-Methylbenzoic acid | [
"Sodium iodide",
"Sodium hexafluorophosphate",
"4-Methylbenzoic acid",
"Sodium perchlorate"
] | [
3.5051,
3.6277,
4.4843,
3.5069
] | Positand 1 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Positand 1 in aqueous solution at standard conditions?
A. Sodium iodide (SMILES: [Na+].[I-]).
B. Sodiu... | eupmc | base |
t2_Positand 1_3 | task2 | B | 4-Methylbenzoic acid | [
"Sodium cyanoborohydride",
"4-Methylbenzoic acid",
"Sodium hexafluorophosphate",
"Sodium perchlorate"
] | [
3.3351,
4.4843,
3.6277,
3.5069
] | Positand 1 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Positand 1 in aqueous solution at standard conditions?
A. Sodium cyanoborohydride (SMILES: [B-]C#N.[Na... | eupmc | base |
t2_Positand 1_4 | task2 | C | 1-Adamantanecarboxylic acid | [
"Sodium trichloroacetate",
"Sodium nitrate",
"1-Adamantanecarboxylic acid",
"Sodium perrhenate"
] | [
4.847,
2.1165,
6.8579,
3.5563
] | Positand 1 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Positand 1 in aqueous solution at standard conditions?
A. Sodium trichloroacetate.
B. Sodium nitrate.
... | eupmc | base |
t2_Positand 1_5 | task2 | A | 4-Methylbenzoic acid | [
"4-Methylbenzoic acid",
"Sodium chloride",
"Sodium perrhenate",
"Sodium iodide"
] | [
4.4843,
2.0792,
3.5563,
3.5051
] | Positand 1 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Positand 1 in aqueous solution at standard conditions?
A. 4-Methylbenzoic acid (SMILES: CC1=CC=C(C=C1)... | eupmc | base |
t2_Positand 1_6 | task2 | A | 4-Methylbenzoic acid | [
"4-Methylbenzoic acid",
"Sodium cyanoborohydride",
"Sodium hexafluorophosphate",
"Sodium chloride"
] | [
4.4843,
3.3351,
3.6277,
2.0792
] | Positand 1 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Positand 1 in aqueous solution at standard conditions?
A. 4-Methylbenzoic acid (SMILES: CC1=CC=C(C=C1)... | eupmc | base |
t2_Positand 1_7 | task2 | B | 1-Adamantanecarboxylic acid | [
"Sodium iodide",
"1-Adamantanecarboxylic acid",
"Sodium trifluoromethanesulfonate",
"4-Methylbenzoic acid"
] | [
3.5051,
6.8579,
3.2752,
4.4843
] | Positand 1 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Positand 1 in aqueous solution at standard conditions?
A. Sodium iodide (SMILES: [Na+].[I-]).
B. 1-Ada... | eupmc | base |
t2_Positand 1_8 | task2 | D | 4-Methylbenzoic acid | [
"Sodium nitrate",
"Sodium perchlorate",
"Sodium chloride",
"4-Methylbenzoic acid"
] | [
2.1165,
3.5069,
2.0792,
4.4843
] | Positand 1 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Positand 1 in aqueous solution at standard conditions?
A. Sodium nitrate.
B. Sodium perchlorate (SMILE... | eupmc | base |
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