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_Zorb[4]arene_4 | task2 | B | N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-dimethylmethanaminium | [
"tetramethylammonium hexafluorophosphate(V)",
"N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-dimethylmethanaminium",
"N-(4-methoxybenzyl)-1-(4-methoxyphenyl)-N,N-dimethylmethanaminium",
"cyclohepta-2,4,6-trien-1-ylium"
] | [
3.6721,
5.3424,
4.9445,
4.1139
] | Zorb[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Zorb[4]arene in aqueous solution at standard conditions?
A. tetramethylammonium hexafluorophosphate(V)... | eupmc | base |
t2_Zorb[4]arene_5 | task2 | C | N-(4-bromobenzyl)-1-(4-bromophenyl)-N,N-dimethylmethanaminium | [
"tetramethylammonium hexafluorophosphate(V)",
"N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(methylthio)phenyl)methanaminium",
"N-(4-bromobenzyl)-1-(4-bromophenyl)-N,N-dimethylmethanaminium",
"N-benzyl-N,N-dimethyl-1-phenylmethanaminium"
] | [
3.6721,
5.3617,
5.5315,
4.7324
] | Zorb[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Zorb[4]arene in aqueous solution at standard conditions?
A. tetramethylammonium hexafluorophosphate(V)... | eupmc | base |
t2_Zorb[4]arene_6 | task2 | A | N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium | [
"N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium",
"tetramethylammonium hexafluorophosphate(V)",
"N-(4-methoxybenzyl)-1-(4-methoxyphenyl)-N,N-dimethylmethanaminium",
"N-(4-fluorobenzyl)-1-(4-fluorophenyl)-N,N-dimethylmethanaminium"
] | [
5.0792,
3.6721,
4.9445,
5.0792
] | Zorb[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Zorb[4]arene in aqueous solution at standard conditions?
A. N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrop... | eupmc | base |
t2_Zorb[4]arene_7 | task2 | C | N-(4-methoxybenzyl)-1-(4-methoxyphenyl)-N,N-dimethylmethanaminium | [
"trimethylsulfanium",
"cyclohepta-2,4,6-trien-1-ylium",
"N-(4-methoxybenzyl)-1-(4-methoxyphenyl)-N,N-dimethylmethanaminium",
"tetraethylammonium hexafluorophosphate(V)"
] | [
2.5428,
4.1139,
4.9445,
2.7709
] | Zorb[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Zorb[4]arene in aqueous solution at standard conditions?
A. trimethylsulfanium (SMILES: C[S+](C)C).
B.... | eupmc | base |
t2_Zorb[4]arene_8 | task2 | D | N-(4-fluorobenzyl)-1-(4-fluorophenyl)-N,N-dimethylmethanaminium | [
"N,N-dimethyl-N-(4-methylbenzyl)-1-(p-tolyl)methanaminium",
"cyclohepta-2,4,6-trien-1-ylium",
"N-benzyl-N,N-dimethyl-1-phenylmethanaminium",
"N-(4-fluorobenzyl)-1-(4-fluorophenyl)-N,N-dimethylmethanaminium"
] | [
4.8062,
4.1139,
4.7324,
5.0792
] | Zorb[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Zorb[4]arene in aqueous solution at standard conditions?
A. N,N-dimethyl-N-(4-methylbenzyl)-1-(p-tolyl... | eupmc | base |
t2_Zorb[4]arene_9 | task2 | B | N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(methylthio)phenyl)methanaminium | [
"(cobaltocene)+",
"N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(methylthio)phenyl)methanaminium",
"tetramethylphosphanium cation",
"N-benzyl-N,N-dimethyl-1-phenylmethanaminium"
] | [
4.6335,
5.3617,
2.7193,
4.7324
] | Zorb[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Zorb[4]arene in aqueous solution at standard conditions?
A. (cobaltocene)+.
B. N,N-dimethyl-N-(4-(meth... | eupmc | base |
t2_Zorb[4]arene_10 | task2 | A | N-(4-bromobenzyl)-1-(4-bromophenyl)-N,N-dimethylmethanaminium | [
"N-(4-bromobenzyl)-1-(4-bromophenyl)-N,N-dimethylmethanaminium",
"1-pentylpyridin-1-ium",
"N-(4-methoxybenzyl)-1-(4-methoxyphenyl)-N,N-dimethylmethanaminium",
"N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-dimethylmethanaminium"
] | [
5.5315,
2.6702,
4.9445,
5.3424
] | Zorb[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Zorb[4]arene in aqueous solution at standard conditions?
A. N-(4-bromobenzyl)-1-(4-bromophenyl)-N,N-di... | eupmc | base |
t2_Zorb[4]arene_11 | task2 | C | N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylmethanaminium | [
"trimethylsulfanium",
"tetraethylammonium hexafluorophosphate(V)",
"N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylmethanaminium",
"N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(methylthio)phenyl)methanaminium"
] | [
2.5428,
2.7709,
5.6528,
5.3617
] | Zorb[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Zorb[4]arene in aqueous solution at standard conditions?
A. trimethylsulfanium (SMILES: C[S+](C)C).
B.... | eupmc | base |
t2_Zorb[4]arene_12 | task2 | C | N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium | [
"N-(4-(tert-butyl)benzyl)-1-(4-(tert-butyl)phenyl)-N,N-dimethylmethanaminium",
"(cobaltocene)+",
"N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium",
"N,N-dimethyl-N-(4-methylbenzyl)-1-(p-tolyl)methanaminium"
] | [
4.3617,
4.6335,
5.0792,
4.8062
] | Zorb[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Zorb[4]arene in aqueous solution at standard conditions?
A. N-(4-(tert-butyl)benzyl)-1-(4-(tert-butyl)... | eupmc | base |
t2_Zorb[4]arene_13 | task2 | A | N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(methylthio)phenyl)methanaminium | [
"N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(methylthio)phenyl)methanaminium",
"cyclohepta-2,4,6-trien-1-ylium",
"N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-dimethylmethanaminium",
"N-(4-cyanobenzyl)-1-(4-cyanophenyl)-N,N-dimethylmethanaminium"
] | [
5.3617,
4.1139,
5.3424,
4.9345
] | Zorb[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Zorb[4]arene in aqueous solution at standard conditions?
A. N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4... | eupmc | base |
t2_Zorb[4]arene_14 | task2 | D | N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylmethanaminium | [
"N-(4-methoxybenzyl)-1-(4-methoxyphenyl)-N,N-dimethylmethanaminium",
"N-benzyl-N,N-dimethyl-1-phenylmethanaminium",
"N-(4-cyanobenzyl)-1-(4-cyanophenyl)-N,N-dimethylmethanaminium",
"N-(4-iodobenzyl)-1-(4-iodophenyl)-N,N-dimethylmethanaminium"
] | [
4.9445,
4.7324,
4.9345,
5.6528
] | Zorb[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Zorb[4]arene in aqueous solution at standard conditions?
A. N-(4-methoxybenzyl)-1-(4-methoxyphenyl)-N,... | eupmc | base |
t2_Zorb[4]arene_15 | task2 | B | N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(methylthio)phenyl)methanaminium | [
"N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-dimethylmethanaminium",
"N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(methylthio)phenyl)methanaminium",
"trimethylsulfanium",
"N-(4-fluorobenzyl)-1-(4-fluorophenyl)-N,N-dimethylmethanaminium"
] | [
5.3424,
5.3617,
2.5428,
5.0792
] | Zorb[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Zorb[4]arene in aqueous solution at standard conditions?
A. N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-... | eupmc | base |
t2_Zorb[4]arene_16 | task2 | C | N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium | [
"N-(4-cyanobenzyl)-1-(4-cyanophenyl)-N,N-dimethylmethanaminium",
"N,N-dimethyl-N-(4-methylbenzyl)-1-(p-tolyl)methanaminium",
"N,N-dimethyl-N-(4-nitrobenzyl)-1-(4-nitrophenyl)methanaminium",
"cyclohepta-2,4,6-trien-1-ylium"
] | [
4.9345,
4.8062,
5.0792,
4.1139
] | Zorb[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Zorb[4]arene in aqueous solution at standard conditions?
A. N-(4-cyanobenzyl)-1-(4-cyanophenyl)-N,N-di... | eupmc | base |
t2_Zorb[4]arene_17 | task2 | A | N-(4-fluorobenzyl)-1-(4-fluorophenyl)-N,N-dimethylmethanaminium | [
"N-(4-fluorobenzyl)-1-(4-fluorophenyl)-N,N-dimethylmethanaminium",
"N-(4-cyanobenzyl)-1-(4-cyanophenyl)-N,N-dimethylmethanaminium",
"N-benzyl-N,N-dimethyl-1-phenylmethanaminium",
"tetramethylphosphanium cation"
] | [
5.0792,
4.9345,
4.7324,
2.7193
] | Zorb[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Zorb[4]arene in aqueous solution at standard conditions?
A. N-(4-fluorobenzyl)-1-(4-fluorophenyl)-N,N-... | eupmc | base |
t2_Zorb[4]arene_18 | task2 | B | N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-dimethylmethanaminium | [
"N-(4-fluorobenzyl)-1-(4-fluorophenyl)-N,N-dimethylmethanaminium",
"N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-dimethylmethanaminium",
"N-(4-(tert-butyl)benzyl)-1-(4-(tert-butyl)phenyl)-N,N-dimethylmethanaminium",
"(cobaltocene)+"
] | [
5.0792,
5.3424,
4.3617,
4.6335
] | Zorb[4]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Zorb[4]arene in aqueous solution at standard conditions?
A. N-(4-fluorobenzyl)-1-(4-fluorophenyl)-N,N-... | eupmc | base |
t2_[3.3.3]Cryptand_0 | task2 | B | Potassium cation | [
"Rubidium cation",
"Potassium cation",
"Strontium cation",
"Lithium ion"
] | [
0.4997,
2,
2,
2
] | [3.3.3]Cryptand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule [3.3.3]Cryptand in aqueous solution at standard conditions?
A. Rubidium cation (SMILES: [Rb+]).
B. Pot... | eupmc | base |
t2_[3.3.3]Cryptand_1 | task2 | A | Calcium cation | [
"Calcium cation",
"Lithium ion",
"Rubidium cation",
"Cesium cation"
] | [
2,
2,
0.4997,
2
] | [3.3.3]Cryptand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule [3.3.3]Cryptand in aqueous solution at standard conditions?
A. Calcium cation (SMILES: [Ca+2]).
B. Lit... | eupmc | base |
t2_[3.3.3]Cryptand_2 | task2 | A | Magnesium cation | [
"Magnesium cation",
"Strontium cation",
"Potassium cation",
"Rubidium cation"
] | [
2,
2,
2,
0.4997
] | [3.3.3]Cryptand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule [3.3.3]Cryptand in aqueous solution at standard conditions?
A. Magnesium cation (SMILES: [Mg+2]).
B. S... | eupmc | base |
t2_[3.3.3]Cryptand_3 | task2 | A | Calcium cation | [
"Calcium cation",
"Lithium ion",
"Rubidium cation",
"Sodium cation"
] | [
2,
2,
0.4997,
2
] | [3.3.3]Cryptand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule [3.3.3]Cryptand in aqueous solution at standard conditions?
A. Calcium cation (SMILES: [Ca+2]).
B. Lit... | eupmc | base |
t2_[3.3.3]Cryptand_4 | task2 | A | Potassium cation | [
"Potassium cation",
"Strontium cation",
"Sodium cation",
"Rubidium cation"
] | [
2,
2,
2,
0.4997
] | [3.3.3]Cryptand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule [3.3.3]Cryptand in aqueous solution at standard conditions?
A. Potassium cation (SMILES: [K+]).
B. Str... | eupmc | base |
t2_[3.3.3]Cryptand_5 | task2 | A | Cesium cation | [
"Cesium cation",
"Sodium cation",
"Rubidium cation",
"Magnesium cation"
] | [
2,
2,
0.4997,
2
] | [3.3.3]Cryptand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule [3.3.3]Cryptand in aqueous solution at standard conditions?
A. Cesium cation (SMILES: [Cs+]).
B. Sodiu... | eupmc | base |
t2_[3.3.3]Cryptand_6 | task2 | A | Calcium cation | [
"Calcium cation",
"Potassium cation",
"Rubidium cation",
"Cesium cation"
] | [
2,
2,
0.4997,
2
] | [3.3.3]Cryptand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule [3.3.3]Cryptand in aqueous solution at standard conditions?
A. Calcium cation (SMILES: [Ca+2]).
B. Pot... | eupmc | base |
t2_[3.3.3]Cryptand_7 | task2 | A | Sodium cation | [
"Sodium cation",
"Strontium cation",
"Lithium ion",
"Rubidium cation"
] | [
2,
2,
2,
0.4997
] | [3.3.3]Cryptand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule [3.3.3]Cryptand in aqueous solution at standard conditions?
A. Sodium cation (SMILES: [Na+]).
B. Stron... | eupmc | base |
t2_anti amine naphthotube_0 | task2 | A | carbenicillin | [
"carbenicillin",
"2-hydroxy-2-phenylacetic acid",
"methyl 2-phenylacetate",
"acetylphenylalanine"
] | [
5.6803,
4.1703,
3.0766,
3.0645
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. carbenicillin (SMILES: CC1(C(N2C... | eupmc | base |
t2_anti amine naphthotube_1 | task2 | D | carbenicillin | [
"3-Phenylpropanoic acid",
"2-phenylpropanedioic acid",
"2-oxo-2-phenylacetic acid",
"carbenicillin"
] | [
3.2878,
5.3571,
3.3711,
5.6803
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. 3-Phenylpropanoic acid (SMILES: ... | eupmc | base |
t2_anti amine naphthotube_2 | task2 | B | acetylphenylalanine | [
"Benzoic acid",
"acetylphenylalanine",
"D/L-phenylalanine",
"Hexanoic acid"
] | [
2.9494,
3.0645,
1.9138,
2.3838
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. Benzoic acid (SMILES: C1=CC=C(C=... | eupmc | base |
t2_anti amine naphthotube_3 | task2 | C | 2-hydroxy-3-phenylpropanoic acid | [
"Hexanoic acid",
"2-acetamido-2-phenylacetic acid",
"2-hydroxy-3-phenylpropanoic acid",
"2-oxo-2-phenylacetic acid"
] | [
2.3838,
3.6866,
3.8739,
3.3711
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. Hexanoic acid (SMILES: CCCCCC(=O... | eupmc | base |
t2_anti amine naphthotube_4 | task2 | D | 2-acetyloxy-2-phenylacetic acid | [
"cyclohex-3-ene-1-carboxylic acid",
"Hexanoic acid",
"2-oxo-2-phenylacetic acid",
"2-acetyloxy-2-phenylacetic acid"
] | [
2.0969,
2.3838,
3.3711,
3.5888
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. cyclohex-3-ene-1-carboxylic acid... | eupmc | base |
t2_anti amine naphthotube_5 | task2 | D | 2-hydroxy-2-phenylacetic acid | [
"Benzoic acid",
"2-oxo-2-phenylacetic acid",
"3-Phenylpropanoic acid",
"2-hydroxy-2-phenylacetic acid"
] | [
2.9494,
3.3711,
3.2878,
4.1703
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. Benzoic acid (SMILES: C1=CC=C(C=... | eupmc | base |
t2_anti amine naphthotube_6 | task2 | A | 2-phenylacetic acid | [
"2-phenylacetic acid",
"2-oxo-2-phenylacetic acid",
"Ampicillin",
"2-hydroxy-3-phenylpropanoic acid"
] | [
4.7256,
3.3711,
2.49,
3.8739
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. 2-phenylacetic acid (SMILES: C1=... | eupmc | base |
t2_anti amine naphthotube_7 | task2 | D | 2-phenylpropanedioic acid | [
"2-phenylacetic acid",
"2-acetyloxy-2-phenylacetic acid",
"3-Phenylpropanoic acid",
"2-phenylpropanedioic acid"
] | [
4.7256,
3.5888,
3.2878,
5.3571
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. 2-phenylacetic acid (SMILES: C1=... | eupmc | base |
t2_anti amine naphthotube_8 | task2 | A | carbenicillin | [
"carbenicillin",
"2-phenylacetic acid",
"2-phenylpropanedioic acid",
"2-amino-2-phenylacetic acid"
] | [
5.6803,
4.7256,
5.3571,
1.9912
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. carbenicillin (SMILES: CC1(C(N2C... | eupmc | base |
t2_anti amine naphthotube_9 | task2 | A | carbenicillin | [
"carbenicillin",
"D/L-phenylalanine",
"Ampicillin",
"Panicillin G"
] | [
5.6803,
1.9138,
2.49,
4.1206
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. carbenicillin (SMILES: CC1(C(N2C... | eupmc | base |
t2_anti amine naphthotube_10 | task2 | C | 2-hydroxy-3-phenylpropanoic acid | [
"D/L-phenylalanine",
"2-oxo-2-phenylacetic acid",
"2-hydroxy-3-phenylpropanoic acid",
"2-acetamido-2-phenylacetic acid"
] | [
1.9138,
3.3711,
3.8739,
3.6866
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. D/L-phenylalanine (SMILES: NC(C(... | eupmc | base |
t2_anti amine naphthotube_11 | task2 | D | 2-acetamido-2-phenylacetic acid | [
"methyl 2-phenylacetate",
"Ampicillin",
"3-Phenylpropanoic acid",
"2-acetamido-2-phenylacetic acid"
] | [
3.0766,
2.49,
3.2878,
3.6866
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. methyl 2-phenylacetate (SMILES: ... | eupmc | base |
t2_anti amine naphthotube_12 | task2 | A | Panicillin G | [
"Panicillin G",
"2-acetyloxy-2-phenylacetic acid",
"2-acetamido-2-phenylacetic acid",
"acetylphenylalanine"
] | [
4.1206,
3.5888,
3.6866,
3.0645
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. Panicillin G.
B. 2-acetyloxy-2-p... | eupmc | base |
t2_anti amine naphthotube_13 | task2 | D | methyl 2-phenylacetate | [
"acetylphenylalanine",
"2-amino-2-phenylacetic acid",
"Ampicillin",
"methyl 2-phenylacetate"
] | [
3.0645,
1.9912,
2.49,
3.0766
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. acetylphenylalanine (SMILES: OC(... | eupmc | base |
t2_anti amine naphthotube_14 | task2 | C | 2-phenylpropanedioic acid | [
"Ampicillin",
"2-amino-2-phenylacetic acid",
"2-phenylpropanedioic acid",
"acetylphenylalanine"
] | [
2.49,
1.9912,
5.3571,
3.0645
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. Ampicillin (SMILES: CC1(C(N2C(S1... | eupmc | base |
t2_anti amine naphthotube_15 | task2 | C | 2-phenylpropanedioic acid | [
"2-amino-2-phenylacetic acid",
"Hexanoic acid",
"2-phenylpropanedioic acid",
"2-hydroxy-3-phenylpropanoic acid"
] | [
1.9912,
2.3838,
5.3571,
3.8739
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. 2-amino-2-phenylacetic acid (SMI... | eupmc | base |
t2_anti amine naphthotube_16 | task2 | A | 2-phenylacetic acid | [
"2-phenylacetic acid",
"2-acetyloxy-2-phenylacetic acid",
"2-hydroxy-3-phenylpropanoic acid",
"2-amino-2-phenylacetic acid"
] | [
4.7256,
3.5888,
3.8739,
1.9912
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. 2-phenylacetic acid (SMILES: C1=... | eupmc | base |
t2_anti amine naphthotube_17 | task2 | A | Panicillin G | [
"Panicillin G",
"D/L-phenylalanine",
"methyl 2-phenylacetate",
"2-amino-2-phenylacetic acid"
] | [
4.1206,
1.9138,
3.0766,
1.9912
] | anti amine naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti amine naphthotube in aqueous solution at standard conditions?
A. Panicillin G.
B. D/L-phenylalani... | eupmc | base |
t2_anti-Amide Naphthotube_0 | task2 | D | 2-Phenyloxirane | [
"1,4-dioxene",
"Propylene carbonate",
"1,2-Butylene oxide",
"2-Phenyloxirane"
] | [
3.0035,
1.8218,
2.7931,
4.0914
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. 1,4-dioxene (SMILES: C1COC=CO1).... | eupmc | base |
t2_anti-Amide Naphthotube_1 | task2 | B | Dimethoxymethane | [
"Ethanol",
"Dimethoxymethane",
"N-ethylacetamide",
"Furan"
] | [
1.5949,
3.7151,
2.2523,
2.1732
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Ethanol (SMILES: CCO).
B. Dimeth... | eupmc | base |
t2_anti-Amide Naphthotube_2 | task2 | C | 2,2-Dimethyloxirane | [
"2-Propanol",
"1,3-dioxane",
"2,2-Dimethyloxirane",
"2,2-Dimethoxypropane"
] | [
1.301,
2.316,
2.4518,
2.1597
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. 2-Propanol (SMILES: CC(C)O).
B. ... | eupmc | base |
t2_anti-Amide Naphthotube_3 | task2 | A | 2-Phenyloxirane | [
"2-Phenyloxirane",
"Nitromethane",
"6-Oxabicyclo[3.1.0]hexane",
"Dimethoxymethane"
] | [
4.0914,
2.0414,
2.1303,
3.7151
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. 2-Phenyloxirane (SMILES: C1C(O1)... | eupmc | base |
t2_anti-Amide Naphthotube_4 | task2 | A | 2-(pent-4-en-1-yl)oxirane | [
"2-(pent-4-en-1-yl)oxirane",
"(2S,3S)-2,3-Dimethyloxirane",
"6-Oxabicyclo[3.1.0]hexane",
"Nitromethane"
] | [
3.7586,
2.4829,
2.1303,
2.0414
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. 2-(pent-4-en-1-yl)oxirane (SMILE... | eupmc | base |
t2_anti-Amide Naphthotube_5 | task2 | A | Dimethoxymethane | [
"Dimethoxymethane",
"(2S,3S)-2,3-Dimethyloxirane",
"Oxazole",
"1,2-Butylene oxide"
] | [
3.7151,
2.4829,
2.1271,
2.7931
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Dimethoxymethane (SMILES: COCOC)... | eupmc | base |
t2_anti-Amide Naphthotube_6 | task2 | D | 1,4-Dioxane | [
"Furan",
"1,4-dioxene",
"Cyclohexanone",
"1,4-Dioxane"
] | [
2.1732,
3.0035,
0.7782,
3.5435
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Furan (SMILES: C1=COC=C1).
B. 1,... | eupmc | base |
t2_anti-Amide Naphthotube_7 | task2 | D | 1,4-Dioxane | [
"1,4-dioxene",
"1,2-Butylene oxide",
"Propylene carbonate",
"1,4-Dioxane"
] | [
3.0035,
2.7931,
1.8218,
3.5435
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. 1,4-dioxene (SMILES: C1COC=CO1).... | eupmc | base |
t2_anti-Amide Naphthotube_8 | task2 | A | 1,4-dioxene | [
"1,4-dioxene",
"Tetrahydropyran",
"Nitromethane",
"2,2-Dimethoxypropane"
] | [
3.0035,
1.7782,
2.0414,
2.1597
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. 1,4-dioxene (SMILES: C1COC=CO1).... | eupmc | base |
t2_anti-Amide Naphthotube_9 | task2 | A | (2S,3S)-2,3-Dimethyloxirane | [
"(2S,3S)-2,3-Dimethyloxirane",
"Propylene carbonate",
"1,3-dioxolane",
"Oxazole"
] | [
2.4829,
1.8218,
2.4324,
2.1271
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. (2S,3S)-2,3-Dimethyloxirane.
B. ... | eupmc | base |
t2_anti-Amide Naphthotube_10 | task2 | C | 2-Methyl-3-phenyloxirane | [
"7-Oxabicyclo[4.1.0]heptane",
"1,3-dioxane",
"2-Methyl-3-phenyloxirane",
"Oxepane"
] | [
1.7634,
2.316,
4.9764,
2.1673
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. 7-Oxabicyclo[4.1.0]heptane (SMIL... | eupmc | base |
t2_anti-Amide Naphthotube_11 | task2 | B | 1,4-dioxene | [
"Diethyl ether",
"1,4-dioxene",
"Propylene carbonate",
"1,3-dioxolane"
] | [
2.5509,
3.0035,
1.8218,
2.4324
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Diethyl ether (SMILES: CCOCC).
B... | eupmc | base |
t2_anti-Amide Naphthotube_12 | task2 | C | 2-Methyl-3-phenyloxirane | [
"Nitromethane",
"2,2-Dimethoxypropane",
"2-Methyl-3-phenyloxirane",
"N,N-dimethylformamide"
] | [
2.0414,
2.1597,
4.9764,
1.9802
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Nitromethane.
B. 2,2-Dimethoxypr... | eupmc | base |
t2_anti-Amide Naphthotube_13 | task2 | C | 1,4-Dioxane | [
"Propylene carbonate",
"1,3-dioxane",
"1,4-Dioxane",
"2,2-Dimethoxypropane"
] | [
1.8218,
2.316,
3.5435,
2.1597
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Propylene carbonate (SMILES: CC1... | eupmc | base |
t2_anti-Amide Naphthotube_14 | task2 | A | 2-Phenyloxirane | [
"2-Phenyloxirane",
"Propylene carbonate",
"(2R,3S)-2,3-Dimethyloxirane",
"6-Oxabicyclo[3.1.0]hexane"
] | [
4.0914,
1.8218,
2.4654,
2.1303
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. 2-Phenyloxirane (SMILES: C1C(O1)... | eupmc | base |
t2_anti-Amide Naphthotube_15 | task2 | A | Oxazole | [
"Oxazole",
"Propylene carbonate",
"Nitromethane",
"Cyclohexanone"
] | [
2.1271,
1.8218,
2.0414,
0.7782
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Oxazole.
B. Propylene carbonate ... | eupmc | base |
t2_anti-Amide Naphthotube_16 | task2 | B | Ethyl acetate | [
"Nitromethane",
"Ethyl acetate",
"Imidazole",
"Acetone"
] | [
2.0414,
3.356,
1.8388,
1.9503
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Nitromethane.
B. Ethyl acetate (... | eupmc | base |
t2_anti-Amide Naphthotube_17 | task2 | B | 2-methyl-1,3-dioxolane | [
"Tetrahydropyran",
"2-methyl-1,3-dioxolane",
"1,2-Propylene oxide",
"2-Propanol"
] | [
1.7782,
3.9098,
2.7193,
1.301
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Tetrahydropyran (SMILES: C1CCOCC... | eupmc | base |
t2_anti-Amide Naphthotube_18 | task2 | A | Ethyl acetate | [
"Ethyl acetate",
"(2S,3S)-2,3-Dimethyloxirane",
"1,2-Propylene oxide",
"Imidazole"
] | [
3.356,
2.4829,
2.7193,
1.8388
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Ethyl acetate (SMILES: CCOC(=O)C... | eupmc | base |
t2_anti-Amide Naphthotube_19 | task2 | D | 2-Methyl-3-phenyloxirane | [
"7-Oxabicyclo[4.1.0]heptane",
"1,4-dioxene",
"Ethanol",
"2-Methyl-3-phenyloxirane"
] | [
1.7634,
3.0035,
1.5949,
4.9764
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. 7-Oxabicyclo[4.1.0]heptane (SMIL... | eupmc | base |
t2_anti-Amide Naphthotube_20 | task2 | D | Dimethoxymethane | [
"Imidazole",
"1,2-Propylene oxide",
"2,2-Dimethoxypropane",
"Dimethoxymethane"
] | [
1.8388,
2.7193,
2.1597,
3.7151
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Imidazole (SMILES: C1=CN=CN1).
B... | eupmc | base |
t2_anti-Amide Naphthotube_21 | task2 | A | Dimethyl carbonate | [
"Dimethyl carbonate",
"Dimethyl sulfoxide",
"Diethyl ether",
"Nitromethane"
] | [
3.1498,
1.9973,
2.5509,
2.0414
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Dimethyl carbonate (SMILES: COC(... | eupmc | base |
t2_anti-Amide Naphthotube_22 | task2 | D | Pyrrole | [
"Imidazole",
"1H-1,2,4-triazole",
"Oxepane",
"Pyrrole"
] | [
1.8388,
1.6128,
2.1673,
2.5955
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Imidazole (SMILES: C1=CN=CN1).
B... | eupmc | base |
t2_anti-Amide Naphthotube_23 | task2 | C | 1,4-Dioxane | [
"Imidazole",
"Tetrahydrofuran",
"1,4-Dioxane",
"1,3,5-trioxane"
] | [
1.8388,
1.9542,
3.5435,
1.2304
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Imidazole (SMILES: C1=CN=CN1).
B... | eupmc | base |
t2_anti-Amide Naphthotube_24 | task2 | D | 2-methyl-1,3-dioxolane | [
"2,2-Dimethyloxirane",
"Dimethyl carbonate",
"Tetrahydropyran",
"2-methyl-1,3-dioxolane"
] | [
2.4518,
3.1498,
1.7782,
3.9098
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. 2,2-Dimethyloxirane.
B. Dimethyl... | eupmc | base |
t2_anti-Amide Naphthotube_25 | task2 | A | 1,4-Dioxane | [
"1,4-Dioxane",
"Oxetane",
"1,3,5-trioxane",
"1,2-Propylene oxide"
] | [
3.5435,
2.3765,
1.2304,
2.7193
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. 1,4-Dioxane (SMILES: C1COCCO1).
... | eupmc | base |
t2_anti-Amide Naphthotube_26 | task2 | B | 2-Phenyloxirane | [
"Dimethyl sulfoxide",
"2-Phenyloxirane",
"Oxetane",
"Oxepane"
] | [
1.9973,
4.0914,
2.3765,
2.1673
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Dimethyl sulfoxide (SMILES: CS(=... | eupmc | base |
t2_anti-Amide Naphthotube_27 | task2 | D | 1,4-Dioxane | [
"1,2-Butylene oxide",
"Nitromethane",
"N-ethylacetamide",
"1,4-Dioxane"
] | [
2.7931,
2.0414,
2.2523,
3.5435
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. 1,2-Butylene oxide (SMILES: CCC1... | eupmc | base |
t2_anti-Amide Naphthotube_28 | task2 | D | 2-methyl-1,3-dioxolane | [
"Oxetane",
"Pyrrole",
"1,3,5-trioxane",
"2-methyl-1,3-dioxolane"
] | [
2.3765,
2.5955,
1.2304,
3.9098
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Oxetane (SMILES: C1COC1).
B. Pyr... | eupmc | base |
t2_anti-Amide Naphthotube_29 | task2 | B | 1,4-Dioxane | [
"Ethanol",
"1,4-Dioxane",
"(2S,3S)-2,3-Dimethyloxirane",
"Propylene carbonate"
] | [
1.5949,
3.5435,
2.4829,
1.8218
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Ethanol (SMILES: CCO).
B. 1,4-Di... | eupmc | base |
t2_anti-Amide Naphthotube_30 | task2 | A | Dimethoxymethane | [
"Dimethoxymethane",
"Oxazole",
"1H-1,2,4-triazole",
"Furan"
] | [
3.7151,
2.1271,
1.6128,
2.1732
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Dimethoxymethane (SMILES: COCOC)... | eupmc | base |
t2_anti-Amide Naphthotube_31 | task2 | D | 2-Phenyloxirane | [
"(2S,3S)-2,3-Dimethyloxirane",
"1,4-dioxene",
"Oxepane",
"2-Phenyloxirane"
] | [
2.4829,
3.0035,
2.1673,
4.0914
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. (2S,3S)-2,3-Dimethyloxirane.
B. ... | eupmc | base |
t2_anti-Amide Naphthotube_32 | task2 | B | 1,4-Dioxane | [
"Dimethyl sulfoxide",
"1,4-Dioxane",
"(2R,3S)-2,3-Dimethyloxirane",
"Cyclohexanone"
] | [
1.9973,
3.5435,
2.4654,
0.7782
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Dimethyl sulfoxide (SMILES: CS(=... | eupmc | base |
t2_anti-Amide Naphthotube_33 | task2 | C | 1,4-Dioxane | [
"6-Oxabicyclo[3.1.0]hexane",
"1,3,5-trioxane",
"1,4-Dioxane",
"Thiane"
] | [
2.1303,
1.2304,
3.5435,
2.0792
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. 6-Oxabicyclo[3.1.0]hexane.
B. 1,... | eupmc | base |
t2_anti-Amide Naphthotube_34 | task2 | A | Acetonitrile | [
"Acetonitrile",
"Acetone",
"Cyclohexanone",
"Ethanol"
] | [
2.2041,
1.9503,
0.7782,
1.5949
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Acetonitrile (SMILES: CC#N).
B. ... | eupmc | base |
t2_anti-Amide Naphthotube_35 | task2 | C | 1,3-dioxane | [
"7-Oxabicyclo[4.1.0]heptane",
"Acetone",
"1,3-dioxane",
"Acetonitrile"
] | [
1.7634,
1.9503,
2.316,
2.2041
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. 7-Oxabicyclo[4.1.0]heptane (SMIL... | eupmc | base |
t2_anti-Amide Naphthotube_36 | task2 | D | 2-methyl-1,3-dioxolane | [
"Tetrahydrofuran",
"1,2-Butylene oxide",
"N,N-dimethylformamide",
"2-methyl-1,3-dioxolane"
] | [
1.9542,
2.7931,
1.9802,
3.9098
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Tetrahydrofuran (SMILES: C1CCOC1... | eupmc | base |
t2_anti-Amide Naphthotube_37 | task2 | D | N,N-dimethylformamide | [
"Imidazole",
"1,3,5-trioxane",
"Propylene carbonate",
"N,N-dimethylformamide"
] | [
1.8388,
1.2304,
1.8218,
1.9802
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Imidazole (SMILES: C1=CN=CN1).
B... | eupmc | base |
t2_anti-Amide Naphthotube_38 | task2 | D | 2-methyl-1,3-dioxolane | [
"Dimethoxymethane",
"Cyclohexanone",
"2-Propanol",
"2-methyl-1,3-dioxolane"
] | [
3.7151,
0.7782,
1.301,
3.9098
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Dimethoxymethane (SMILES: COCOC)... | eupmc | base |
t2_anti-Amide Naphthotube_39 | task2 | D | 2-methyl-1,3-dioxolane | [
"Dimethyl carbonate",
"1,3-dioxane",
"Propylene carbonate",
"2-methyl-1,3-dioxolane"
] | [
3.1498,
2.316,
1.8218,
3.9098
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Dimethyl carbonate (SMILES: COC(... | eupmc | base |
t2_anti-Amide Naphthotube_40 | task2 | D | 2-methyl-1,3-dioxolane | [
"Dimethoxymethane",
"Thiophene",
"Cyclohexanone",
"2-methyl-1,3-dioxolane"
] | [
3.7151,
3.3149,
0.7782,
3.9098
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Dimethoxymethane (SMILES: COCOC)... | eupmc | base |
t2_anti-Amide Naphthotube_41 | task2 | D | 2-Methyl-3-phenyloxirane | [
"Dimethyl sulfoxide",
"Nitromethane",
"Oxazole",
"2-Methyl-3-phenyloxirane"
] | [
1.9973,
2.0414,
2.1271,
4.9764
] | anti-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule anti-Amide Naphthotube in aqueous solution at standard conditions?
A. Dimethyl sulfoxide (SMILES: CS(=... | eupmc | base |
t2_bis(p-sulfonatocalix[4]arenes)_0 | task2 | D | N′,N′′‐hexamethylenebis(1‐methyl‐4,4′‐bipyridinium | [
"methyl viologen",
"homoditopic bis-4-(N-methylpyridi- nium)azobenzene",
"N-methyl-N0-adamantane carbomethyl-4,40-bipyridinium",
"N′,N′′‐hexamethylenebis(1‐methyl‐4,4′‐bipyridinium"
] | [
5.6304,
2.8549,
5.9899,
6.0607
] | bis(p-sulfonatocalix[4]arenes) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule bis(p-sulfonatocalix[4]arenes) in aqueous solution at standard conditions?
A. methyl viologen.
B. homo... | eupmc | base |
t2_bisurea-receptor-Cl_0 | task2 | A | Tetrabutylammonium chloride | [
"Tetrabutylammonium chloride",
"Tetrabutylammonium nitrate",
"Tetrabutylammonium iodide",
"Tetrabutylammonium bromide"
] | [
3.8976,
3.7419,
2.4624,
3.4281
] | bisurea-receptor-Cl | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule bisurea-receptor-Cl in aqueous solution at standard conditions?
A. Tetrabutylammonium chloride (SMILES... | eupmc | base |
t2_bisurea-receptor-F_0 | task2 | C | Tetrabutylammonium chloride | [
"Tetrabutylammonium nitrate",
"Tetrabutylammonium iodide",
"Tetrabutylammonium chloride",
"Tetrabutylammonium bromide"
] | [
3.6821,
2.3802,
3.8299,
3.3692
] | bisurea-receptor-F | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule bisurea-receptor-F in aqueous solution at standard conditions?
A. Tetrabutylammonium nitrate.
B. Tetra... | eupmc | base |
t2_bisurea-receptor-NMe2_0 | task2 | D | Tetrabutylammonium chloride | [
"Tetrabutylammonium iodide",
"Tetrabutylammonium nitrate",
"Tetrabutylammonium bromide",
"Tetrabutylammonium chloride"
] | [
2,
3.2355,
2.9031,
3.4249
] | bisurea-receptor-NMe2 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule bisurea-receptor-NMe2 in aqueous solution at standard conditions?
A. Tetrabutylammonium iodide (SMILES... | eupmc | base |
t2_bisurea-receptor-NO2_0 | task2 | A | Tetrabutylammonium chloride | [
"Tetrabutylammonium chloride",
"Tetrabutylammonium bromide",
"Tetrabutylammonium iodide",
"Tetrabutylammonium nitrate"
] | [
4.3909,
3.7657,
2.7634,
4.0253
] | bisurea-receptor-NO2 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule bisurea-receptor-NO2 in aqueous solution at standard conditions?
A. Tetrabutylammonium chloride (SMILE... | eupmc | base |
t2_bisurea-receptor-OMe_0 | task2 | D | Tetrabutylammonium chloride | [
"Tetrabutylammonium iodide",
"Tetrabutylammonium bromide",
"Tetrabutylammonium nitrate",
"Tetrabutylammonium chloride"
] | [
2.2304,
3,
3.4857,
3.6749
] | bisurea-receptor-OMe | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule bisurea-receptor-OMe in aqueous solution at standard conditions?
A. Tetrabutylammonium iodide (SMILES:... | eupmc | base |
t2_bisurea-receptor-tBu_0 | task2 | B | Tetrabutylammonium chloride | [
"Tetrabutylammonium iodide",
"Tetrabutylammonium chloride",
"Tetrabutylammonium bromide",
"Tetrabutylammonium nitrate"
] | [
2.1761,
3.659,
3.1367,
3.4314
] | bisurea-receptor-tBu | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule bisurea-receptor-tBu in aqueous solution at standard conditions?
A. Tetrabutylammonium iodide (SMILES:... | eupmc | base |
t2_carboxylate pillar[5]arene_0 | task2 | C | N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride | [
"1,4-phenylenedimethanaminium chloride",
"N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide",
"N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride",
"N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride"
] | [
6.8156,
6.0414,
7.6513,
7.0531
] | carboxylate pillar[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule carboxylate pillar[5]arene in aqueous solution at standard conditions?
A. 1,4-phenylenedimethanaminium... | eupmc | base |
t2_carboxylate pillar[5]arene_1 | task2 | B | N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride | [
"N,N,N-trimethylhexan-1-aminium bromide",
"N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride",
"N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide",
"1,4-phenylenedimethanaminium chloride"
] | [
6.1399,
7.6513,
6.0414,
6.8156
] | carboxylate pillar[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule carboxylate pillar[5]arene in aqueous solution at standard conditions?
A. N,N,N-trimethylhexan-1-amini... | eupmc | base |
t2_carboxylate pillar[5]arene_2 | task2 | B | hexane-1,6-diaminium chloride | [
"N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide",
"hexane-1,6-diaminium chloride",
"Cisatracurium",
"N,N,N-trimethylhexan-1-aminium bromide"
] | [
6.0414,
7.3243,
5.1818,
6.1399
] | carboxylate pillar[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule carboxylate pillar[5]arene in aqueous solution at standard conditions?
A. N1,N1,N1,N5,N5,N5-hexamethyl... | eupmc | base |
t2_carboxylate pillar[5]arene_3 | task2 | B | N1,N6-dimethylhexane-1,6-diaminium chloride | [
"N,N,N-trimethylhexan-1-aminium bromide",
"N1,N6-dimethylhexane-1,6-diaminium chloride",
"hexane-1,6-diaminium chloride",
"N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride"
] | [
6.1399,
7.5502,
7.3243,
7.0531
] | carboxylate pillar[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule carboxylate pillar[5]arene in aqueous solution at standard conditions?
A. N,N,N-trimethylhexan-1-amini... | eupmc | base |
t2_carboxylate pillar[5]arene_4 | task2 | C | hexane-1,6-diaminium chloride | [
"N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide",
"Cisatracurium",
"hexane-1,6-diaminium chloride",
"N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride"
] | [
6.0414,
5.1818,
7.3243,
7.0531
] | carboxylate pillar[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule carboxylate pillar[5]arene in aqueous solution at standard conditions?
A. N1,N1,N1,N5,N5,N5-hexamethyl... | eupmc | base |
t2_carboxylate pillar[5]arene_5 | task2 | A | hexane-1,6-diaminium chloride | [
"hexane-1,6-diaminium chloride",
"Cisatracurium",
"N,N,N-trimethylhexan-1-aminium bromide",
"N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride"
] | [
7.3243,
5.1818,
6.1399,
7.0531
] | carboxylate pillar[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule carboxylate pillar[5]arene in aqueous solution at standard conditions?
A. hexane-1,6-diaminium chlorid... | eupmc | base |
t2_carboxylate pillar[5]arene_6 | task2 | B | N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride | [
"N,N,N-trimethylhexan-1-aminium bromide",
"N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride",
"N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride",
"1,4-phenylenedimethanaminium chloride"
] | [
6.1399,
7.6513,
7.0531,
6.8156
] | carboxylate pillar[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule carboxylate pillar[5]arene in aqueous solution at standard conditions?
A. N,N,N-trimethylhexan-1-amini... | eupmc | base |
t2_carboxylate pillar[5]arene_7 | task2 | D | N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride | [
"N,N,N-trimethylhexan-1-aminium bromide",
"N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide",
"hexane-1,6-diaminium chloride",
"N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chloride"
] | [
6.1399,
6.0414,
7.3243,
7.6513
] | carboxylate pillar[5]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule carboxylate pillar[5]arene in aqueous solution at standard conditions?
A. N,N,N-trimethylhexan-1-amini... | eupmc | base |
t2_carboxylate pillar[6]arene_0 | task2 | A | Vecuronium | [
"Vecuronium",
"Acetylcholine",
"Rocuronium",
"N,N,N-trimethylhexan-1-aminium bromide"
] | [
6.4579,
5.2718,
6.1523,
6.1303
] | carboxylate pillar[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. Vecuronium (SMILES: CC(=O)OC... | eupmc | base |
t2_carboxylate pillar[6]arene_1 | task2 | A | 1,4-bis(trimethyl-l4-azaneyl)cyclohexane | [
"1,4-bis(trimethyl-l4-azaneyl)cyclohexane",
"Rocuronium",
"Vecuronium",
"Cisatracurium"
] | [
7.721,
6.1523,
6.4579,
5.0212
] | carboxylate pillar[6]arene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule carboxylate pillar[6]arene in aqueous solution at standard conditions?
A. 1,4-bis(trimethyl-l4-azaneyl... | eupmc | base |
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