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_5,11,17,23-tetrasulfonato-25,26,27,28-tetrakis(n-pentyl)-calix[4]arene_2 | task2 | B | Lucigenin | [
"H-Leu-Arg-Arg-Trp-Ser-Leu-Gly-OH",
"Lucigenin",
"H-Trp-Lys-Arg-Thr-Leu-Arg-Arg-Leu-OH",
"H-Trp-Lys-Arg-pThr-Leu-Arg-Arg-Leu-OH"
] | [
5,
6.48,
6.4472,
5.0792
] | 5,11,17,23-tetrasulfonato-25,26,27,28-tetrakis(n-pentyl)-calix[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 5,11,17,23-tetrasulfonato-25,26,27,28-tetrakis(n-pentyl)-calix[4]arene in aqueous solution at standard ... | eupmc | base |
t2_5,11,17,23-tetrasulfonato-25,26,27,28-tetrakis(n-pentyl)-calix[4]arene_3 | task2 | C | Lucigenin | [
"L-Lysine",
"H-Trp-Lys-Arg-pThr-Leu-Arg-Arg-Leu-OH",
"Lucigenin",
"H-Leu-Arg-Arg-Trp-pSer-Leu-Gly-OH"
] | [
2.1703,
5.0792,
6.48,
4.1761
] | 5,11,17,23-tetrasulfonato-25,26,27,28-tetrakis(n-pentyl)-calix[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 5,11,17,23-tetrasulfonato-25,26,27,28-tetrakis(n-pentyl)-calix[4]arene in aqueous solution at standard ... | eupmc | base |
t2_5,11,17,23-tetrasulfonato-25,26,27,28-tetrakis(n-pentyl)-calix[4]arene_4 | task2 | C | Lucigenin | [
"H-Leu-Arg-Arg-Trp-pSer-Leu-Gly-OH",
"H-Trp-Lys-Arg-pThr-Leu-Arg-Arg-Leu-OH",
"Lucigenin",
"L-Arginine"
] | [
4.1761,
5.0792,
6.48,
1.2041
] | 5,11,17,23-tetrasulfonato-25,26,27,28-tetrakis(n-pentyl)-calix[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 5,11,17,23-tetrasulfonato-25,26,27,28-tetrakis(n-pentyl)-calix[4]arene in aqueous solution at standard ... | eupmc | base |
t2_5,11,17,23-tetrasulfonato-25,26,27,28-tetrakis(n-pentyl)-calix[4]arene_5 | task2 | B | H-Trp-Lys-Arg-pThr-Leu-Arg-Arg-Leu-OH | [
"H-Leu-Arg-Arg-Trp-Ser-Leu-Gly-OH",
"H-Trp-Lys-Arg-pThr-Leu-Arg-Arg-Leu-OH",
"L-Arginine",
"L-Lysine"
] | [
5,
5.0792,
1.2041,
2.1703
] | 5,11,17,23-tetrasulfonato-25,26,27,28-tetrakis(n-pentyl)-calix[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 5,11,17,23-tetrasulfonato-25,26,27,28-tetrakis(n-pentyl)-calix[4]arene in aqueous solution at standard ... | eupmc | base |
t2_5,11,17,23-tetrasulfonato-25,26,27,28-tetrakis(n-pentyl)-calix[4]arene_6 | task2 | B | Lucigenin | [
"H-Trp-Lys-Arg-Thr-Leu-Arg-Arg-Leu-OH",
"Lucigenin",
"H-Leu-Arg-Arg-Trp-pSer-Leu-Gly-OH",
"L-Lysine"
] | [
6.4472,
6.48,
4.1761,
2.1703
] | 5,11,17,23-tetrasulfonato-25,26,27,28-tetrakis(n-pentyl)-calix[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 5,11,17,23-tetrasulfonato-25,26,27,28-tetrakis(n-pentyl)-calix[4]arene in aqueous solution at standard ... | eupmc | base |
t2_5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt_0 | task2 | A | Alizarin complexone | [
"Alizarin complexone",
"D,L-Noradrenaline",
"D/L-Adrenaline",
"Dopamine"
] | [
3.5366,
2.8401,
2.6174,
2.6253
] | 5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule 5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl este... | eupmc | base |
t2_5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt_1 | task2 | D | Alizarin complexone | [
"L-Noradrenaline",
"1,2-Dihydroxybenzene",
"Dopamine",
"Alizarin complexone"
] | [
2.5403,
2.3696,
2.6253,
3.5366
] | 5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule 5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl este... | eupmc | base |
t2_5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt_2 | task2 | B | Alizarin complexone | [
"D/L-Adrenaline",
"Alizarin complexone",
"Dopamine",
"L-Noradrenaline"
] | [
2.6174,
3.5366,
2.6253,
2.5403
] | 5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule 5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl este... | eupmc | base |
t2_5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt_3 | task2 | C | Alizarin complexone | [
"D/L-Adrenaline",
"1,2-Dihydroxybenzene",
"Alizarin complexone",
"L-Noradrenaline"
] | [
2.6174,
2.3696,
3.5366,
2.5403
] | 5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule 5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl este... | eupmc | base |
t2_5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt_4 | task2 | B | Alizarin complexone | [
"D/L-Adrenaline",
"Alizarin complexone",
"1,2-Dihydroxybenzene",
"D,L-Noradrenaline"
] | [
2.6174,
3.5366,
2.3696,
2.8401
] | 5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule 5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl este... | eupmc | base |
t2_5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt_5 | task2 | C | Alizarin complexone | [
"Dopamine",
"1,2-Dihydroxybenzene",
"Alizarin complexone",
"D/L-Adrenaline"
] | [
2.6253,
2.3696,
3.5366,
2.6174
] | 5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule 5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl este... | eupmc | base |
t2_5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt_0 | task2 | A | Alizarin complexone | [
"Alizarin complexone",
"L-Noradrenaline",
"Dopamine",
"1,2-Dihydroxybenzene"
] | [
3.2041,
2.3997,
2.3453,
2.1718
] | 5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule 5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithi... | eupmc | base |
t2_5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt_1 | task2 | D | Alizarin complexone | [
"D,L-Noradrenaline",
"Dopamine",
"L-Noradrenaline",
"Alizarin complexone"
] | [
2.525,
2.3453,
2.3997,
3.2041
] | 5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule 5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithi... | eupmc | base |
t2_5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt_2 | task2 | D | Alizarin complexone | [
"D/L-Adrenaline",
"Dopamine",
"L-Noradrenaline",
"Alizarin complexone"
] | [
2.3136,
2.3453,
2.3997,
3.2041
] | 5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule 5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithi... | eupmc | base |
t2_5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt_3 | task2 | D | Alizarin complexone | [
"Dopamine",
"1,2-Dihydroxybenzene",
"D/L-Adrenaline",
"Alizarin complexone"
] | [
2.3453,
2.1718,
2.3136,
3.2041
] | 5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule 5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithi... | eupmc | base |
t2_5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt_4 | task2 | D | Alizarin complexone | [
"D,L-Noradrenaline",
"L-Noradrenaline",
"D/L-Adrenaline",
"Alizarin complexone"
] | [
2.525,
2.3997,
2.3136,
3.2041
] | 5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule 5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithi... | eupmc | base |
t2_5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt_5 | task2 | D | Alizarin complexone | [
"D,L-Noradrenaline",
"1,2-Dihydroxybenzene",
"Dopamine",
"Alizarin complexone"
] | [
2.525,
2.1718,
2.3453,
3.2041
] | 5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule 5-[4-(2-dihydroxyboryl-benzylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithi... | eupmc | base |
t2_5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzoylamino]-1,3-xylylenebis(phosphonic acid lithium methyl) ester salt_0 | task2 | D | Alizarin complexone | [
"1,2-Dihydroxybenzene",
"Dopamine",
"D,L-Noradrenaline",
"Alizarin complexone"
] | [
1.7094,
2.2341,
2.2634,
3.3118
] | 5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzoylamino]-1,3-xylylenebis(phosphonic acid lithium methyl) ester salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule 5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzoylamino]-1,3-xylylenebis(phosphonic acid lithium methyl)... | eupmc | base |
t2_5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzoylamino]-1,3-xylylenebis(phosphonic acid lithium methyl) ester salt_1 | task2 | A | D,L-Noradrenaline | [
"D,L-Noradrenaline",
"Dopamine",
"1,2-Dihydroxybenzene",
"D/L-Adrenaline"
] | [
2.2634,
2.2341,
1.7094,
2.2325
] | 5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzoylamino]-1,3-xylylenebis(phosphonic acid lithium methyl) ester salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule 5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzoylamino]-1,3-xylylenebis(phosphonic acid lithium methyl)... | eupmc | base |
t2_5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzoylamino]-1,3-xylylenebis(phosphonic acid lithium methyl) ester salt_2 | task2 | B | Alizarin complexone | [
"D/L-Adrenaline",
"Alizarin complexone",
"Dopamine",
"D,L-Noradrenaline"
] | [
2.2325,
3.3118,
2.2341,
2.2634
] | 5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzoylamino]-1,3-xylylenebis(phosphonic acid lithium methyl) ester salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule 5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzoylamino]-1,3-xylylenebis(phosphonic acid lithium methyl)... | eupmc | base |
t2_5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzoylamino]-1,3-xylylenebis(phosphonic acid lithium methyl) ester salt_3 | task2 | D | Alizarin complexone | [
"D,L-Noradrenaline",
"D/L-Adrenaline",
"1,2-Dihydroxybenzene",
"Alizarin complexone"
] | [
2.2634,
2.2325,
1.7094,
3.3118
] | 5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzoylamino]-1,3-xylylenebis(phosphonic acid lithium methyl) ester salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule 5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzoylamino]-1,3-xylylenebis(phosphonic acid lithium methyl)... | eupmc | base |
t2_5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzoylamino]-1,3-xylylenebis(phosphonic acid lithium methyl) ester salt_4 | task2 | B | Alizarin complexone | [
"D/L-Adrenaline",
"Alizarin complexone",
"Dopamine",
"1,2-Dihydroxybenzene"
] | [
2.2325,
3.3118,
2.2341,
1.7094
] | 5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzoylamino]-1,3-xylylenebis(phosphonic acid lithium methyl) ester salt | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule 5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzoylamino]-1,3-xylylenebis(phosphonic acid lithium methyl)... | eupmc | base |
t2_6I-O-(1-naphtholxy)-2I,31-di-O- methylhexakis(2II-VII,3II-VII,6II-VII-tri-O-methyl)-B-cyclodextrin_0 | task2 | D | glycochoic acid sodium salt | [
"taurocholic acid sodium salt",
"cholic acid sodium salt",
"deoxycholic acid sodium salt",
"glycochoic acid sodium salt"
] | [
3.5821,
2.959,
3.6355,
3.6375
] | 6I-O-(1-naphtholxy)-2I,31-di-O- methylhexakis(2II-VII,3II-VII,6II-VII-tri-O-methyl)-B-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 6I-O-(1-naphtholxy)-2I,31-di-O- methylhexakis(2II-VII,3II-VII,6II-VII-tri-O-methyl)-B-cyclodextrin in a... | eupmc | base |
t2_6I-O-(8-hydroxyquinoline)-2I,31- di-O-methylhexakis(2II-VII,3II-VII,6II-VII- tri-O-methyl)-B-cyclodextrin_0 | task2 | A | glycochoic acid sodium salt | [
"glycochoic acid sodium salt",
"deoxycholic acid sodium salt",
"cholic acid sodium salt",
"taurocholic acid sodium salt"
] | [
4.0294,
3.8727,
3.5172,
3.94
] | 6I-O-(8-hydroxyquinoline)-2I,31- di-O-methylhexakis(2II-VII,3II-VII,6II-VII- tri-O-methyl)-B-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 6I-O-(8-hydroxyquinoline)-2I,31- di-O-methylhexakis(2II-VII,3II-VII,6II-VII- tri-O-methyl)-B-cyclodextr... | eupmc | base |
t2_Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouril units)_0 | task2 | B | Rocuronium | [
"Pancuronium",
"Rocuronium",
"Cisatracurium",
"Gallamine"
] | [
5.6532,
6.9243,
5.9868,
6.7924
] | Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouril units) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouri... | eupmc | base |
t2_Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouril units)_1 | task2 | B | Rocuronium | [
"Cisatracurium",
"Rocuronium",
"Rhodamine 6G",
"Pancuronium"
] | [
5.9868,
6.9243,
5.6812,
5.6532
] | Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouril units) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouri... | eupmc | base |
t2_Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouril units)_2 | task2 | A | Rocuronium | [
"Rocuronium",
"Gallamine",
"Acetylcholine",
"Cisatracurium"
] | [
6.9243,
6.7924,
4.3802,
5.9868
] | Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouril units) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouri... | eupmc | base |
t2_Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouril units)_3 | task2 | B | Rocuronium | [
"Gallamine",
"Rocuronium",
"Rhodamine 6G",
"Tubocurarine"
] | [
6.7924,
6.9243,
5.6812,
5.6721
] | Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouril units) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouri... | eupmc | base |
t2_Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouril units)_4 | task2 | C | Rocuronium | [
"Gallamine",
"Acetylcholine",
"Rocuronium",
"Vecuronium"
] | [
6.7924,
4.3802,
6.9243,
6.7634
] | Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouril units) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouri... | eupmc | base |
t2_Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouril units)_5 | task2 | A | Rocuronium | [
"Rocuronium",
"Acetylcholine",
"Tubocurarine",
"Pancuronium"
] | [
6.9243,
4.3802,
5.6721,
5.6532
] | Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouril units) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouri... | eupmc | base |
t2_Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouril units)_6 | task2 | A | Rocuronium | [
"Rocuronium",
"Cisatracurium",
"Rhodamine 6G",
"Tubocurarine"
] | [
6.9243,
5.9868,
5.6812,
5.6721
] | Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouril units) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouri... | eupmc | base |
t2_Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouril units)_7 | task2 | A | Vecuronium | [
"Vecuronium",
"Tubocurarine",
"Pancuronium",
"Acetylcholine"
] | [
6.7634,
5.6721,
5.6532,
4.3802
] | Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouril units) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic (sodium 3,3'-(1,4-phenylenebis(oxy))bis(propane-1-sulfonate) Cucurbiturils (tetrameric Glycouri... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_0 | task2 | A | Acetylcholine | [
"Acetylcholine",
"Doxylamine",
"(+)-(1S,2S)-2-Methylamino-1-phenyl-propan-1-ol",
"Phenylephrine"
] | [
5.9741,
5.0414,
3.9345,
3.0414
] | Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric gly... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_1 | task2 | B | Famotidine | [
"Phenylephrine",
"Famotidine",
"Acetaminophen",
"Nizatidine"
] | [
3.0414,
5.4314,
3.0414,
4.4771
] | Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric gly... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_2 | task2 | A | Famotidine | [
"Famotidine",
"Acetaminophen",
"Histamine",
"Phenylephrine"
] | [
5.4314,
3.0414,
4.2788,
3.0414
] | Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric gly... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_3 | task2 | B | Acetylcholine | [
"Nizatidine",
"Acetylcholine",
"Doxylamine",
"Acetaminophen"
] | [
4.4771,
5.9741,
5.0414,
3.0414
] | Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric gly... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_4 | task2 | D | Cimetidine | [
"(+)-(1S,2S)-2-Methylamino-1-phenyl-propan-1-ol",
"Acetaminophen",
"Nizatidine",
"Cimetidine"
] | [
3.9345,
3.0414,
4.4771,
4.5441
] | Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric gly... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_5 | task2 | C | Doxylamine | [
"Acetaminophen",
"(+)-(1S,2S)-2-Methylamino-1-phenyl-propan-1-ol",
"Doxylamine",
"Cimetidine"
] | [
3.0414,
3.9345,
5.0414,
4.5441
] | Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric gly... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_6 | task2 | B | Doxylamine | [
"(+)-(1S,2S)-2-Methylamino-1-phenyl-propan-1-ol",
"Doxylamine",
"Phenylephrine",
"Histamine"
] | [
3.9345,
5.0414,
3.0414,
4.2788
] | Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric gly... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_7 | task2 | B | Acetylcholine | [
"Doxylamine",
"Acetylcholine",
"Nizatidine",
"Cimetidine"
] | [
5.0414,
5.9741,
4.4771,
4.5441
] | Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric gly... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_8 | task2 | D | Famotidine | [
"Doxylamine",
"Cimetidine",
"Nizatidine",
"Famotidine"
] | [
5.0414,
4.5441,
4.4771,
5.4314
] | Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric gly... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_9 | task2 | C | Ranitidine | [
"(+)-(1S,2S)-2-Methylamino-1-phenyl-propan-1-ol",
"Cimetidine",
"Ranitidine",
"Doxylamine"
] | [
3.9345,
4.5441,
5.2304,
5.0414
] | Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (tetrameric gly... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilunit)_0 | task2 | A | Pentane-1,5-diamine | [
"Pentane-1,5-diamine",
"L-Arginine",
"L-Lysine",
"Lisinopril"
] | [
6,
3.1761,
2.5315,
3.5798
] | Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilun... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilunit)_1 | task2 | C | Histamine | [
"Lisinopril",
"Histidinol",
"Histamine",
"L-Lysine"
] | [
3.5798,
3.1761,
3.8062,
2.5315
] | Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilun... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilunit)_2 | task2 | D | Agmatine | [
"1,4-Diaminobutane",
"Histidinol",
"Histamine",
"Agmatine"
] | [
4.2788,
3.1761,
3.8062,
6
] | Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilun... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilunit)_3 | task2 | B | Histamine | [
"L-Lysine",
"Histamine",
"Histidinol",
"L-Arginine"
] | [
2.5315,
3.8062,
3.1761,
3.1761
] | Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilun... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilunit)_4 | task2 | D | Agmatine | [
"L-Lysine",
"Lisinopril",
"Histamine",
"Agmatine"
] | [
2.5315,
3.5798,
3.8062,
6
] | Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilun... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilunit)_5 | task2 | D | 1,4-Diaminobutane | [
"Histamine",
"Histidinol",
"Lisinopril",
"1,4-Diaminobutane"
] | [
3.8062,
3.1761,
3.5798,
4.2788
] | Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilun... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilunit)_6 | task2 | B | Pentane-1,5-diamine | [
"Histamine",
"Pentane-1,5-diamine",
"Lisinopril",
"Agmatine"
] | [
3.8062,
6,
3.5798,
6
] | Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilun... | eupmc | base |
t2_Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilunit)_7 | task2 | A | Pentane-1,5-diamine | [
"Pentane-1,5-diamine",
"Agmatine",
"L-Arginine",
"L-Lysine"
] | [
6,
6,
3.1761,
2.5315
] | Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 3,3'-(naphthalene-2,7-diyl)bis(propane-1-sulfonate) Cucurbituril (tetrameric Glycourilun... | eupmc | base |
t2_Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_0 | task2 | B | Vecuronium | [
"Cisatracurium",
"Vecuronium",
"Gallamine",
"(1R,4R)-cyclohexane-1,4-diamine"
] | [
6.6812,
9.2041,
8.5051,
6.3222
] | Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycouriluni... | eupmc | base |
t2_Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_1 | task2 | C | Rocuronium | [
"Tubocurarine",
"(1R,4R)-cyclohexane-1,4-diamine",
"Rocuronium",
"Acetylcholine"
] | [
5.3424,
6.3222,
9.5315,
5.2553
] | Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycouriluni... | eupmc | base |
t2_Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_2 | task2 | B | Rocuronium | [
"Acetylcholine",
"Rocuronium",
"Gallamine",
"Pancuronium"
] | [
5.2553,
9.5315,
8.5051,
8.7243
] | Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycouriluni... | eupmc | base |
t2_Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_3 | task2 | A | Rocuronium | [
"Rocuronium",
"Vecuronium",
"Pancuronium",
"Tubocurarine"
] | [
9.5315,
9.2041,
8.7243,
5.3424
] | Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycouriluni... | eupmc | base |
t2_Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_4 | task2 | D | Rocuronium | [
"Pancuronium",
"(1R,4R)-cyclohexane-1,4-diamine",
"Vecuronium",
"Rocuronium"
] | [
8.7243,
6.3222,
9.2041,
9.5315
] | Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycouriluni... | eupmc | base |
t2_Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_5 | task2 | D | Vecuronium | [
"Tubocurarine",
"Cisatracurium",
"3,6-Diaminoacridin-10-ium",
"Vecuronium"
] | [
5.3424,
6.6812,
8.8921,
9.2041
] | Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycouriluni... | eupmc | base |
t2_Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_6 | task2 | C | Gallamine | [
"Rhodamine 6G",
"Tubocurarine",
"Gallamine",
"Cisatracurium"
] | [
6.3617,
5.3424,
8.5051,
6.6812
] | Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycouriluni... | eupmc | base |
t2_Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_7 | task2 | A | Vecuronium | [
"Vecuronium",
"3,6-Diaminoacridin-10-ium",
"Rhodamine 6G",
"Acetylcholine"
] | [
9.2041,
8.8921,
6.3617,
5.2553
] | Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycouriluni... | eupmc | base |
t2_Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_8 | task2 | B | Rocuronium | [
"3,6-Diaminoacridin-10-ium",
"Rocuronium",
"Rhodamine 6G",
"Tubocurarine"
] | [
8.8921,
9.5315,
6.3617,
5.3424
] | Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycouriluni... | eupmc | base |
t2_Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit)_9 | task2 | D | Rocuronium | [
"Pancuronium",
"(1R,4R)-cyclohexane-1,4-diamine",
"Tubocurarine",
"Rocuronium"
] | [
8.7243,
6.3222,
5.3424,
9.5315
] | Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycourilunit) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (tetrameric glycouriluni... | eupmc | base |
t2_Calix[4]arene_0 | task2 | C | 2,3-diazabicyclo[2.2.2]oct-2-en-2-ium | [
"Carbamylcholine",
"Sodium cation",
"2,3-diazabicyclo[2.2.2]oct-2-en-2-ium",
"Choline"
] | [
4.5777,
1.9022,
5,
4.4795
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_1 | task2 | A | Pentane-1,5-diamine | [
"Pentane-1,5-diamine",
"Sodium cation",
"Lithium ion",
"Ammonium ion"
] | [
5.4314,
1.9022,
1.8741,
2.0976
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_2 | task2 | B | N6-Dimethyllysine | [
"D/L-histidine",
"N6-Dimethyllysine",
"Cesium cation",
"Acetyl-D/L-Carnitine"
] | [
2.7482,
4.7782,
2.3117,
3.3833
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_3 | task2 | B | N6-Trimethyllysine | [
"Lanthanum cation",
"N6-Trimethyllysine",
"Carbamylcholine",
"Magnesium cation"
] | [
4.5479,
5.1139,
4.5777,
3.1745
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_4 | task2 | C | 2,3-diazabicyclo[2.2.2]oct-2-en-2-ium | [
"Potassium cation",
"1-isopropyl-4-methyl-2,3-diazabicyclo[2.2.2]octa-2-ene",
"2,3-diazabicyclo[2.2.2]oct-2-en-2-ium",
"Barium cation"
] | [
2.0304,
3.141,
5,
3.8299
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_5 | task2 | D | Protonated 1-isopropyl-4-methyl-DBO | [
"Potassium cation",
"Acetyl-D/L-Carnitine",
"Barium cation",
"Protonated 1-isopropyl-4-methyl-DBO"
] | [
2.0304,
3.3833,
3.8299,
4.6902
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_6 | task2 | D | Carbamylcholine | [
"Zinc cation",
"Strontium cation",
"Lanthanum cation",
"Carbamylcholine"
] | [
3.301,
3.4616,
4.5479,
4.5777
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_7 | task2 | D | 1,4-Butanediammonium | [
"Aluminum cation",
"2,3-diazabicyclo[2.2.2]oct-2-en-2-ium",
"Protonated 1-isopropyl-4-methyl-DBO",
"1,4-Butanediammonium"
] | [
4.3075,
5,
4.6902,
5.415
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_8 | task2 | D | Tetraethylammonium iodide | [
"Acetyl-D/L-Carnitine",
"Histamine",
"Barium cation",
"Tetraethylammonium iodide"
] | [
3.3833,
4.9542,
3.8299,
5.3846
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_9 | task2 | A | Pentane-1,5-diamine | [
"Pentane-1,5-diamine",
"D/L-lysine",
"Calcium cation",
"Barium cation"
] | [
5.4314,
3,
3.3918,
3.8299
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_10 | task2 | D | Pentane-1,5-diamine | [
"Cesium cation",
"Acetyl-D/L-Carnitine",
"Calcium cation",
"Pentane-1,5-diamine"
] | [
2.3117,
3.3833,
3.3918,
5.4314
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_11 | task2 | A | Choline | [
"Choline",
"Magnesium cation",
"Calcium cation",
"Potassium cation"
] | [
4.4795,
3.1745,
3.3918,
2.0304
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_12 | task2 | A | Acetyl-D/L-Carnitine | [
"Acetyl-D/L-Carnitine",
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"Magnesium cation",
"Zinc cation"
] | [
3.3833,
2.6811,
3.1745,
3.301
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_13 | task2 | A | N6-Trimethyllysine | [
"N6-Trimethyllysine",
"Acetylcholine",
"Lithium ion",
"N6-Methyllysine"
] | [
5.1139,
4.5502,
1.8741,
4.301
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_14 | task2 | D | Choline | [
"Zinc cation",
"1-isopropyl-4-methyl-2,3-diazabicyclo[2.2.2]octa-2-ene",
"Gallium cation",
"Choline"
] | [
3.301,
3.141,
4.4014,
4.4795
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_15 | task2 | C | Pentane-1,5-diamine | [
"Aluminum cation",
"Barium cation",
"Pentane-1,5-diamine",
"Lanthanum cation"
] | [
4.3075,
3.8299,
5.4314,
4.5479
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_16 | task2 | A | N6-Trimethyllysine | [
"N6-Trimethyllysine",
"Cesium cation",
"N6-Methyllysine",
"L-carnitine"
] | [
5.1139,
2.3117,
4.301,
3.5149
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_17 | task2 | B | Agmatine | [
"Histamine",
"Agmatine",
"N6-Methyllysine",
"Acetylcholine"
] | [
4.9542,
6.8513,
4.301,
4.5502
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_18 | task2 | B | Tetraethylammonium iodide | [
"Lithium ion",
"Tetraethylammonium iodide",
"N6-Trimethyllysine",
"Carbamylcholine"
] | [
1.8741,
5.3846,
5.1139,
4.5777
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_19 | task2 | B | Carbamylcholine | [
"Zinc cation",
"Carbamylcholine",
"Sodium cation",
"Lanthanum cation"
] | [
3.301,
4.5777,
1.9022,
4.5479
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_20 | task2 | A | 2,3-diazabicyclo[2.2.2]oct-2-en-2-ium | [
"2,3-diazabicyclo[2.2.2]oct-2-en-2-ium",
"Ammonium ion",
"Magnesium cation",
"Gallium cation"
] | [
5,
2.0976,
3.1745,
4.4014
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_21 | task2 | C | 1,4-Butanediammonium | [
"Rubidium cation",
"Magnesium cation",
"1,4-Butanediammonium",
"Protonated 1-isopropyl-4-methyl-DBO"
] | [
2.0858,
3.1745,
5.415,
4.6902
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_22 | task2 | A | N6-Trimethyllysine | [
"N6-Trimethyllysine",
"Carbamylcholine",
"Protonated 1-isopropyl-4-methyl-DBO",
"Sodium cation"
] | [
5.1139,
4.5777,
4.6902,
1.9022
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_23 | task2 | B | Histamine | [
"N6-Methyllysine",
"Histamine",
"N6-Dimethyllysine",
"Carbamylcholine"
] | [
4.301,
4.9542,
4.7782,
4.5777
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_24 | task2 | C | Acetylcholine | [
"Zinc cation",
"D/L-histidine",
"Acetylcholine",
"Acetyl-D/L-Carnitine"
] | [
3.301,
2.7482,
4.5502,
3.3833
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_25 | task2 | A | Strontium cation | [
"Strontium cation",
"D/L-lysine",
"Acetyl-D/L-Carnitine",
"Potassium cation"
] | [
3.4616,
3,
3.3833,
2.0304
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_26 | task2 | B | Protonated 1-isopropyl-4-methyl-DBO | [
"Strontium cation",
"Protonated 1-isopropyl-4-methyl-DBO",
"Potassium cation",
"Carbamylcholine"
] | [
3.4616,
4.6902,
2.0304,
4.5777
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_27 | task2 | D | Lanthanum cation | [
"D/L-Arginine",
"D/L-histidine",
"Sodium cation",
"Lanthanum cation"
] | [
3.4472,
2.7482,
1.9022,
4.5479
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_28 | task2 | A | N6-Trimethyllysine | [
"N6-Trimethyllysine",
"Sodium cation",
"Calcium cation",
"Aluminum cation"
] | [
5.1139,
1.9022,
3.3918,
4.3075
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_29 | task2 | A | N6-Trimethyllysine | [
"N6-Trimethyllysine",
"D/L-Ornithine",
"Lithium ion",
"2,3-diazabicyclo[2.2.2]oct-2-en-2-ium"
] | [
5.1139,
2.3222,
1.8741,
5
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_30 | task2 | B | Pentane-1,5-diamine | [
"Magnesium cation",
"Pentane-1,5-diamine",
"L-carnitine",
"D/L-histidine"
] | [
3.1745,
5.4314,
3.5149,
2.7482
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_31 | task2 | A | 1,4-Butanediammonium | [
"1,4-Butanediammonium",
"N6-Dimethyllysine",
"Protonated DBN",
"Sodium cation"
] | [
5.415,
4.7782,
5.3979,
1.9022
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_32 | task2 | D | 1,4-Butanediammonium | [
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"Potassium cation",
"Aluminum cation",
"1,4-Butanediammonium"
] | [
2.6811,
2.0304,
4.3075,
5.415
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_33 | task2 | B | Aluminum cation | [
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"Aluminum cation",
"Potassium cation",
"Ammonium ion"
] | [
2.6811,
4.3075,
2.0304,
2.0976
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_34 | task2 | D | 2,3-diazabicyclo[2.2.2]oct-2-en-2-ium | [
"Carbamylcholine",
"Choline",
"Barium cation",
"2,3-diazabicyclo[2.2.2]oct-2-en-2-ium"
] | [
4.5777,
4.4795,
3.8299,
5
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calix[4]arene_35 | task2 | D | Pentane-1,5-diamine | [
"Magnesium cation",
"Zinc cation",
"Lithium ion",
"Pentane-1,5-diamine"
] | [
3.1745,
3.301,
1.8741,
5.4314
] | Calix[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 Calix[4]arene (SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5) in aqueous solution at... | eupmc | base |
t2_Calixarene_0 | task2 | B | Insulin Human | [
"L-Arginine",
"Insulin Human",
"L-Lysine",
"spermine"
] | [
2.5441,
7.301,
2.4771,
6.9243
] | Calixarene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Calixarene (SMILES: CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OCC(=O)OC)CC4=CC(=CC(=C4OCC(=O)OC)CC5=C(C(=CC(... | eupmc | base |
t2_Corral[5]arene_0 | task2 | C | 4,4'-(ethane-1,2-diyl)bis(1-(tert-butyl)pyridin-1-ium) | [
"3-carboxy-1-methylpyridin-1-ium",
"(E)-4,4'-(ethene-1,2-diyl)bis(1-butylpyridin-1-ium)",
"4,4'-(ethane-1,2-diyl)bis(1-(tert-butyl)pyridin-1-ium)",
"4,4'-(1,4-phenylene)bis(1-hexylpyridin-1-ium)"
] | [
3.6425,
4.6232,
5.9628,
4.5635
] | Corral[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 Corral[5]arene in aqueous solution at standard conditions?
A. 3-carboxy-1-methylpyridin-1-ium (SMILES:... | eupmc | base |
t2_Corral[5]arene_1 | task2 | C | (S)-1,1,2,4,4-pentamethylpiperazine-1,4-diium | [
"4,4'-(ethane-1,2-diyl)bis(1-(tert-butyl)pyridin-1-ium)",
"4,4'-(1,4-phenylene)bis(1-hexylpyridin-1-ium)",
"(S)-1,1,2,4,4-pentamethylpiperazine-1,4-diium",
"1,1'-dibutyl-[4,4'-bipyridine]-1,1'-diium"
] | [
5.9628,
4.5635,
6.9217,
4.9974
] | Corral[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 Corral[5]arene in aqueous solution at standard conditions?
A. 4,4'-(ethane-1,2-diyl)bis(1-(tert-butyl)... | eupmc | base |
t2_Corral[5]arene_2 | task2 | C | 4,4'-(ethane-1,2-diyl)bis(1-(tert-butyl)pyridin-1-ium) | [
"(1s,3s,5s,7s)-N1,N1,N1,N3,N3,N3-hexamethyladamantane-1,3-diaminium",
"1,1'-dibutyl-[4,4'-bipyridine]-1,1'-diium",
"4,4'-(ethane-1,2-diyl)bis(1-(tert-butyl)pyridin-1-ium)",
"(E)-4,4'-(ethene-1,2-diyl)bis(1-butylpyridin-1-ium)"
] | [
5.2625,
4.9974,
5.9628,
4.6232
] | Corral[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 Corral[5]arene in aqueous solution at standard conditions?
A. (1s,3s,5s,7s)-N1,N1,N1,N3,N3,N3-hexameth... | eupmc | base |
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