id stringlengths 4 98 | task stringclasses 1
value | answer float64 0 15.5 | host_name stringclasses 234
values | molecule stringlengths 3 243 | version stringclasses 1
value | question stringlengths 332 1.37k | source stringclasses 2
values | prompt_strategy stringclasses 1
value |
|---|---|---|---|---|---|---|---|---|
t1_8859 | task1 | 7.4432 | Cucurbit[7]uril | (+)-fenchone | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule (+)-fenchone (SMILES: CC1(C2CCC(C2)(C1=O)C)C) in aqueous solution at standard conditions. Provide a single numeric... | cb7_supplement | base |
t1_2558 | task1 | 6.7993 | Cucurbit[7]uril | 1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole (SMILES: C12C=CC3(O2)CNCC3C1) in aqueous solution at standard condition... | cb7_supplement | base |
t1_5419 | task1 | 4.5991 | Cucurbit[7]uril | Melamine | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Melamine (SMILES: Nc1nc(N)nc(n1)N) in aqueous solution at standard conditions. Provide a single numerical value.
... | cb7_supplement | base |
t1_8647 | task1 | 7.1335 | Cucurbit[7]uril | pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diol | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diol (SMILES: C1C2C3CC4(CC2C5CC1(CC3C5C4)O)O) in aqueous solutio... | cb7_supplement | base |
t1_7089 | task1 | 3.1461 | Cucurbit[7]uril | Calcium cation | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Calcium cation (SMILES: [Ca+2]) in aqueous solution at standard conditions. Provide a single numerical value.
Put... | cb7_supplement | base |
t1_8263 | task1 | 5.8976 | Cucurbit[7]uril | butane-1,4-diamine;dihydrochloride | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule butane-1,4-diamine;dihydrochloride (SMILES: C(CCN)CN.Cl.Cl) in aqueous solution at standard conditions. Provide a ... | cb7_supplement | base |
t1_2580 | task1 | 5.3617 | Cucurbit[7]uril | N-(furan-2-ylmethyl)propan-1-amine | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule N-(furan-2-ylmethyl)propan-1-amine (SMILES: CCCNCC1=CC=CO1) in aqueous solution at standard conditions. Provide a ... | cb7_supplement | base |
t1_8851 | task1 | 6.2504 | Cucurbit[7]uril | beta-Estradiol | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule beta-Estradiol (SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O) in aqueous solution at standard conditions. Provide a... | cb7_supplement | base |
t1_4945 | task1 | 3.2304 | Cucurbit[7]uril | Pyrrole | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Pyrrole (SMILES: C1=CNC=C1) in aqueous solution at standard conditions. Provide a single numerical value.
Put you... | cb7_supplement | base |
t1_5152 | task1 | 8.5048 | Cucurbit[7]uril | Pentane-1,5-diamine | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Pentane-1,5-diamine (SMILES: C(CCN)CCN) in aqueous solution at standard conditions. Provide a single numerical val... | cb7_supplement | base |
t1_8381 | task1 | 7.301 | Cucurbit[7]uril | 1-hexyl-3-methylimidazol-3-ium;chloride | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 1-hexyl-3-methylimidazol-3-ium;chloride (SMILES: CCCCCCN1C=C[N+](=C1)C.[Cl-]) in aqueous solution at standard cond... | cb7_supplement | base |
t1_7071 | task1 | 6.5085 | Cucurbit[7]uril | Decyltrimethylammonium bromide | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Decyltrimethylammonium bromide (SMILES: CCCCCCCCCC[N+](C)(C)C.[Br-]) in aqueous solution at standard conditions. P... | cb7_supplement | base |
t1_8880 | task1 | 7.2798 | Cucurbit[7]uril | Cyclohexanone | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Cyclohexanone (SMILES: C1CCC(=O)CC1) in aqueous solution at standard conditions. Provide a single numerical value.... | cb7_supplement | base |
t1_42 | task1 | 5.6721 | Cucurbit[7]uril | Vecuronium | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Vecuronium (SMILES: CC(=O)OC1CC2CCC3C(C2(CC1N4CCCCC4)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C) in aqueous solution a... | cb7_supplement | base |
t1_6266 | task1 | 4.6184 | Cucurbit[7]uril | Thr-Gly-D-Ala-Phe-Met-NH2 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Thr-Gly-D-Ala-Phe-Met-NH2 (SMILES: CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)C([C@H](O)C)N)C)Cc1cccc... | cb7_supplement | base |
t1_8271 | task1 | 8.1461 | Cucurbit[7]uril | pentane-1,5-diamine dihydrochloride | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule pentane-1,5-diamine dihydrochloride (SMILES: C(CCN)CCN.Cl.Cl) in aqueous solution at standard conditions. Provide ... | cb7_supplement | base |
t1_2564 | task1 | 6.4624 | Cucurbit[7]uril | 6-bromo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 6-bromo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole (SMILES: BrC12C=CC3(O2)CNCC3C1) in aqueous solution at standard... | cb7_supplement | base |
t1_7068 | task1 | 6.5818 | Cucurbit[7]uril | Cetrimonium bromide | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Cetrimonium bromide (SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]) in aqueous solution at standard conditions. Provid... | cb7_supplement | base |
t1_4059 | task1 | 3.375 | Cucurbit[7]uril | Potassium chloride | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Potassium chloride (SMILES: [Cl-].[K+]) in aqueous solution at standard conditions. Provide a single numerical val... | cb7_supplement | base |
t1_8881 | task1 | 8.1825 | Cucurbit[7]uril | bicyclo[2.2.1]heptan-2-one | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule bicyclo[2.2.1]heptan-2-one (SMILES: C1CC2CC1CC2=O) in aqueous solution at standard conditions. Provide a single nu... | cb7_supplement | base |
t1_2301 | task1 | 15.5002 | Cucurbit[7]uril | bis(Trimethylamminomethyl)ferrocene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule bis(Trimethylamminomethyl)ferrocene (SMILES: C[N+](C)(Cc1cccc1)C.C[N+](C)(Cc2cccc2)C.[Fe]) in aqueous solution at ... | cb7_supplement | base |
t1_6640 | task1 | 4.8351 | Cucurbit[7]uril | Serotonin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Serotonin (SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN) in aqueous solution at standard conditions. Provide a single numeric... | cb7_supplement | base |
t1_6115 | task1 | 6.1761 | Cucurbit[7]uril | Recombinant insulin human | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Recombinant insulin human (SMILES: CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O... | cb7_supplement | base |
t1_4092 | task1 | 3.505 | Cucurbit[7]uril | Cesium chloride, Caesium chloride | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Cesium chloride, Caesium chloride (SMILES: [Cl-].[Cs+]) in aqueous solution at standard conditions. Provide a sing... | cb7_supplement | base |
t1_2017 | task1 | 6.42 | Cucurbit[7]uril | 1-methyl-3-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 1-methyl-3-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium (SMILES: C[N+]1=CN(C=C1)CC2=CC=C(... | cb7_supplement | base |
t1_8422 | task1 | 9.3222 | Cucurbit[7]uril | Hexamethylenediamine | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Hexamethylenediamine (SMILES: C(CCCN)CCN) in aqueous solution at standard conditions. Provide a single numerical v... | cb7_supplement | base |
t1_2021 | task1 | 6.7251 | Cucurbit[7]uril | 1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]naphthalen-2-yl]methyl]imidazol-1-ium | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]naphthalen-2-yl]methyl]imidazol-1-ium (SMILES: C[N+]1=CN(C=C1)... | cb7_supplement | base |
t1_8310 | task1 | 3.3743 | Cucurbit[7]uril | Dehydrocorydaline | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Dehydrocorydaline (SMILES: CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC) in aqueous solution at standard... | cb7_supplement | base |
t1_2573 | task1 | 6.0414 | Cucurbit[7]uril | N-((5-methylfuran-2-yl)methyl)prop-2-en-1-amine | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule N-((5-methylfuran-2-yl)methyl)prop-2-en-1-amine (SMILES: C=CCNCC1=CC=C(C)O1) in aqueous solution at standard condi... | cb7_supplement | base |
t1_5770 | task1 | 8.699 | Cucurbit[7]uril | Coptisine | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Coptisine (SMILES: C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6) in aqueous solution at standard conditio... | cb7_supplement | base |
t1_7286 | task1 | 2.301 | Cucurbit[7]uril | Glycyltyrosine | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Glycyltyrosine (SMILES: C1=CC(=CC=C1CC(C(=O)O)NC(=O)CN)O) in aqueous solution at standard conditions. Provide a si... | cb7_supplement | base |
t1_6281 | task1 | 8.7243 | Cucurbit[7]uril | ((S)-2-amino-3-(4-(aminomethyl)phenyl)propanoyl)-L-methionine | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule ((S)-2-amino-3-(4-(aminomethyl)phenyl)propanoyl)-L-methionine (SMILES: NCc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)O)CCSC... | cb7_supplement | base |
t1_8849 | task1 | 5.9101 | Cucurbit[7]uril | Cholesterol | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Cholesterol (SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C) in aqueous solution at standard conditions. ... | cb7_supplement | base |
t1_7090 | task1 | 1.6232 | Cucurbit[7]uril | Magnesium cation | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Magnesium cation (SMILES: [Mg+2]) in aqueous solution at standard conditions. Provide a single numerical value.
P... | cb7_supplement | base |
t1_8618 | task1 | 8.9705 | Cucurbit[7]uril | 2,7-dimethyldiazapyrenium | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 2,7-dimethyldiazapyrenium (SMILES: C[N+]1=CC2=C3C4=C(C=[N+](C)C=C4C=CC3=C1)C=C2) in aqueous solution at standard c... | cb7_supplement | base |
t1_4968 | task1 | 2.7848 | Cucurbit[7]uril | Acetone | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Acetone (SMILES: CC(=O)C) in aqueous solution at standard conditions. Provide a single numerical value.
Put your ... | cb7_supplement | base |
t1_7091 | task1 | 2.3424 | Cucurbit[7]uril | Zinc cation | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Zinc cation (SMILES: [Zn+2]) in aqueous solution at standard conditions. Provide a single numerical value.
Put yo... | cb7_supplement | base |
t1_2897 | task1 | 8.415 | Cucurbit[7]uril | Borneol | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Borneol (SMILES: CC1(C2CCC1(C(C2)O)C)C) in aqueous solution at standard conditions. Provide a single numerical val... | cb7_supplement | base |
t1_8785 | task1 | 3.9031 | Cucurbit[7]uril | AntNMe2+-2kPEG-OMe | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule AntNMe2+-2kPEG-OMe (SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO... | cb7_supplement | base |
t1_1837 | task1 | 15.0792 | Cucurbit[7]uril | N1,N1'-(bicyclo[2.2.2]octane-1,4-diylbis(methylene))bis(N3,N3-dimethylpropane-1,3-diamine) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule N1,N1'-(bicyclo[2.2.2]octane-1,4-diylbis(methylene))bis(N3,N3-dimethylpropane-1,3-diamine) (SMILES: CN(C)CCCNCC12C... | cb7_supplement | base |
t1_8425 | task1 | 9.4238 | Cucurbit[7]uril | 1-(hydroxymethyl)-ferrocene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 1-(hydroxymethyl)-ferrocene (SMILES: [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)CO.[Fe]) in aqueous solution at... | cb7_supplement | base |
t1_3288 | task1 | 2.9395 | Cucurbit[7]uril | D/L-lysine | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule D/L-lysine (SMILES: C(CCN)CC(C(=O)O)N) in aqueous solution at standard conditions. Provide a single numerical valu... | cb7_supplement | base |
t1_8379 | task1 | 6.8808 | Cucurbit[7]uril | 1-butyl-3-methylimidazolium hexafluorophosphate | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 1-butyl-3-methylimidazolium hexafluorophosphate (SMILES: CCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F) in aqueous soluti... | cb7_supplement | base |
t1_6116 | task1 | 6.4782 | Cucurbit[7]uril | Phe-Gly-Gly | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Phe-Gly-Gly (SMILES: C1=CC=C(C=C1)CC(C(=O)NCC(=O)NCC(=O)O)N) in aqueous solution at standard conditions. Provide a... | cb7_supplement | base |
t1_1948 | task1 | 4.8681 | Cucurbit[7]uril | 2,7-bis(2-(trimethyl-azaneyl)ethyl)pyrene-1,3,6,8(2H,7H)-tetraone | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 2,7-bis(2-(trimethyl-azaneyl)ethyl)pyrene-1,3,6,8(2H,7H)-tetraone (SMILES: O=C(C(CC[N+](C)(C)C)C1=O)C2=CC=C3C4=C2C... | cb7_supplement | base |
t1_4971 | task1 | 3.8287 | Cucurbit[7]uril | Pinacolone | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Pinacolone (SMILES: CC(=O)C(C)(C)C) in aqueous solution at standard conditions. Provide a single numerical value.
... | cb7_supplement | base |
t1_2035 | task1 | 7.8451 | Cucurbit[7]uril | bis(dimethylpyridinium)diarylethene (closed form) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule bis(dimethylpyridinium)diarylethene (closed form) (SMILES: C[C@@]12C(C=C(C3=CC=[N+](C)C=C3)S2)=C4C(CCC4)=C5[C@@]1(... | cb7_supplement | base |
t1_5765 | task1 | 3.0792 | Cucurbit[7]uril | L-Tryptophan | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule L-Tryptophan (SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N) in aqueous solution at standard conditions. Provide a sing... | cb7_supplement | base |
t1_6367 | task1 | 9.0212 | Cucurbit[7]uril | AM Phe-Gly-Gly | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule AM Phe-Gly-Gly (SMILES: NCc1ccc(cc1)C[C@@H](C(=O)NCC(=O)NCC(=O)O)N) in aqueous solution at standard conditions. Pr... | cb7_supplement | base |
t1_8424 | task1 | 14 | Cucurbit[7]uril | 2-Adamantylamine hydrochloride | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 2-Adamantylamine hydrochloride (SMILES: C1C2CC3CC1CC(C2)C3N.Cl) in aqueous solution at standard conditions. Provid... | cb7_supplement | base |
t1_5500 | task1 | 5.301 | Cucurbit[7]uril | 1,1'-bis(5-carboxypentyl)-[4,4'-bipyridine]-1,1'-diium | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 1,1'-bis(5-carboxypentyl)-[4,4'-bipyridine]-1,1'-diium (SMILES: OC(=O)CCCCC[n+]1ccc(cc1)c1cc[n+](cc1)CCCCCC(=O)O) ... | cb7_supplement | base |
t1_4994 | task1 | 3.0086 | Cucurbit[7]uril | Methyl acetate | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Methyl acetate (SMILES: COC(=O)C) in aqueous solution at standard conditions. Provide a single numerical value.
P... | cb7_supplement | base |
t1_8232 | task1 | 2.5378 | Cucurbit[7]uril | Diquat | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Diquat (SMILES: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31) in aqueous solution at standard conditions. Provide a single num... | cb7_supplement | base |
t1_6275 | task1 | 3.2826 | Cucurbit[7]uril | Phosphoramidon | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Phosphoramidon (SMILES: CC1C(C(C(C(O1)OP(=O)(NC(CC(C)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)O)O)O)O) in aqueous solut... | cb7_supplement | base |
t1_2883 | task1 | 5.9294 | Cucurbit[7]uril | Eucalyptol | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Eucalyptol (SMILES: CC1(C2CCC(O1)(CC2)C)C) in aqueous solution at standard conditions. Provide a single numerical ... | cb7_supplement | base |
t1_4970 | task1 | 3.3139 | Cucurbit[7]uril | 3-Pentanone | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 3-Pentanone (SMILES: CCC(=O)CC) in aqueous solution at standard conditions. Provide a single numerical value.
Put... | cb7_supplement | base |
t1_8392 | task1 | 5 | Cucurbit[7]uril | Dopamine hydrochloride | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Dopamine hydrochloride (SMILES: C1=CC(=C(C=C1CCN)O)O.Cl) in aqueous solution at standard conditions. Provide a sin... | cb7_supplement | base |
t1_6265 | task1 | 4.3173 | Cucurbit[7]uril | Thr-Gly-Ala-Phe-Met-NH2 | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Thr-Gly-Ala-Phe-Met-NH2 (SMILES: CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C([C@H](O)C)N)C)Cc1ccccc... | cb7_supplement | base |
t1_7146 | task1 | 9.1614 | Cucurbit[7]uril | Pibenzimol HCl | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Pibenzimol HCl (SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)O.Cl.Cl.Cl) in aqueous s... | cb7_supplement | base |
t1_591 | task1 | 7.301 | Cucurbit[7]uril | Proflavine | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Proflavine (SMILES: C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N) in aqueous solution at standard conditions. Provide a sin... | cb7_supplement | base |
t1_8663 | task1 | 5.7756 | Cucurbit[7]uril | 1-Hexanol | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 1-Hexanol (SMILES: CCCCCCO) in aqueous solution at standard conditions. Provide a single numerical value.
Put you... | cb7_supplement | base |
t1_8269 | task1 | 3.8195 | Cucurbit[7]uril | Tetramethyl benzobis (imidazolium) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Tetramethyl benzobis (imidazolium) (SMILES: C[N+]1=CN(C)C2=CC([N+](C)=CN3C)=C3C=C21) in aqueous solution at standa... | cb7_supplement | base |
t1_2895 | task1 | 6.6812 | Cucurbit[7]uril | Fenchol | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Fenchol (SMILES: CC1(C2CCC(C2)(C1O)C)C) in aqueous solution at standard conditions. Provide a single numerical val... | cb7_supplement | base |
t1_4110 | task1 | 2.8202 | Cucurbit[7]uril | Ammonium chloride | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Ammonium chloride (SMILES: [NH4+].[Cl-]) in aqueous solution at standard conditions. Provide a single numerical va... | cb7_supplement | base |
t1_8372 | task1 | 4.8751 | Cucurbit[7]uril | 1,3-Dimethylimidazolium | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 1,3-Dimethylimidazolium (SMILES: CN1C=C[N+](=C1)C) in aqueous solution at standard conditions. Provide a single nu... | cb7_supplement | base |
t1_6431 | task1 | 6 | Cucurbit[7]uril | Ferrocene | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Ferrocene (SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]) in aqueous solution at standard conditions. Provide a singl... | cb7_supplement | base |
t1_2561 | task1 | 6 | Cucurbit[7]uril | N-((5-bromofuran-2-yl)methyl)prop-2-en-1-amine | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule N-((5-bromofuran-2-yl)methyl)prop-2-en-1-amine (SMILES: C=CCNCC1=CC=C(Br)O1) in aqueous solution at standard condi... | cb7_supplement | base |
t1_5459 | task1 | 5.3617 | Cucurbit[7]uril | Oxaliplatin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Oxaliplatin (SMILES: C1CCC(C(C1)[NH-])[NH-].C(=O)(C(=O)[O-])[O-].[Pt+4]) in aqueous solution at standard condition... | cb7_supplement | base |
t1_4113 | task1 | 3.54 | Cucurbit[7]uril | Silver chloride | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Silver chloride (SMILES: Cl[Ag]) in aqueous solution at standard conditions. Provide a single numerical value.
Pu... | cb7_supplement | base |
t1_2570 | task1 | 6.7993 | Cucurbit[7]uril | 6-chloro-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 6-chloro-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole (SMILES: ClC12C=CC3(O2)CNCC3C1) in aqueous solution at standar... | cb7_supplement | base |
t1_7899 | task1 | 7.1461 | Cucurbit[7]uril | H-Phe-Met-OH | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule H-Phe-Met-OH (SMILES: CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N) in aqueous solution at standard conditions. Provide a s... | cb7_supplement | base |
t1_4131 | task1 | 4.179 | Cucurbit[7]uril | Iron(III) chloride | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Iron(III) chloride (SMILES: Cl[Fe](Cl)Cl) in aqueous solution at standard conditions. Provide a single numerical v... | cb7_supplement | base |
t1_594 | task1 | 5.301 | Cucurbit[7]uril | Acridine Orange hydrochloride (protonated) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Acridine Orange hydrochloride (protonated) (SMILES: CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)C.Cl) in aqueous solut... | cb7_supplement | base |
t1_1842 | task1 | 14.2304 | Cucurbit[7]uril | 1-Adamantylazanium | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 1-Adamantylazanium (SMILES: C1C2CC3CC1CC(C2)(C3)[NH3+]) in aqueous solution at standard conditions. Provide a sing... | cb7_supplement | base |
t1_4137 | task1 | 4.9873 | Cucurbit[7]uril | Lanthanum chloride heptahydrate | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Lanthanum chloride heptahydrate (SMILES: O.O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[La+3]) in aqueous solution at standard c... | cb7_supplement | base |
t1_5399 | task1 | 12 | Cucurbit[7]uril | N-Butyladamantan-1-aminium | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule N-Butyladamantan-1-aminium (SMILES: CCCC[NH2+]C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3) in aqueous solution at standard c... | cb7_supplement | base |
t1_4973 | task1 | 3.6628 | Cucurbit[7]uril | 1-Phenyl-2-butanone | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 1-Phenyl-2-butanone (SMILES: CCC(=O)Cc1ccccc1) in aqueous solution at standard conditions. Provide a single numeri... | cb7_supplement | base |
t1_5530 | task1 | 3.4472 | Cucurbit[7]uril | [Ru(bpy)2dppz]2+ | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule [Ru(bpy)2dppz]2+ (SMILES: C1=CC=C2C(=C1)N=C3C4=C(C5=C(C3=N2)C=CC=N5)N=CC=C4.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)... | cb7_supplement | base |
t1_7088 | task1 | 2.7634 | Cucurbit[7]uril | Rubidium cation | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Rubidium cation (SMILES: [Rb+]) in aqueous solution at standard conditions. Provide a single numerical value.
Put... | cb7_supplement | base |
t1_6638 | task1 | 5.6684 | Cucurbit[7]uril | Dopamine | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Dopamine (SMILES: C1=CC(=C(C=C1CCN)O)O) in aqueous solution at standard conditions. Provide a single numerical val... | cb7_supplement | base |
t1_632 | task1 | 5.3546 | Cucurbit[7]uril | Rhodamine B | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Rhodamine B (SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-]) in aqueous solutio... | cb7_supplement | base |
t1_8664 | task1 | 6.0969 | Cucurbit[7]uril | (Z)‐4‐(4‐(2‐(3′,5′‐bis(trifluoromethyl)‐[1,1′‐biphenyl]‐4‐yl)‐1‐cyanovinyl)phenyl)‐1‐methylpyridin‐1‐ium chloride | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule (Z)‐4‐(4‐(2‐(3′,5′‐bis(trifluoromethyl)‐[1,1′‐biphenyl]‐4‐yl)‐1‐cyanovinyl)phenyl)‐1‐methylpyridin‐1‐ium chloride ... | cb7_supplement | base |
t1_1828 | task1 | 3.9685 | Cucurbit[7]uril | 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione (SMILES: CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3) in aqueous solution ... | cb7_supplement | base |
t1_4125 | task1 | 3.4 | Cucurbit[7]uril | Zinc chloride | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Zinc chloride (SMILES: Cl[Zn]Cl) in aqueous solution at standard conditions. Provide a single numerical value.
Pu... | cb7_supplement | base |
t1_5400 | task1 | 8.3617 | Cucurbit[7]uril | (1R,4R)-cyclohexane-1,4-diamine | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule (1R,4R)-cyclohexane-1,4-diamine (SMILES: C1CC(CCC1N)N) in aqueous solution at standard conditions. Provide a singl... | cb7_supplement | base |
t1_1927 | task1 | 7.0414 | Cucurbit[7]uril | [Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule [Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium (SMILES: C1=CC(=CC=C1C2=CC3=C(... | cb7_supplement | base |
t1_5524 | task1 | 5.4472 | Cucurbit[7]uril | Thiazole orange | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Thiazole orange (SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=C2SC1=CC3=CC=[N+](C4=CC=CC=C34)C) in aqueous solu... | cb7_supplement | base |
t1_4134 | task1 | 4.42 | Cucurbit[7]uril | Ytterbium(III) chloride | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Ytterbium(III) chloride (SMILES: Cl[Yb](Cl)Cl) in aqueous solution at standard conditions. Provide a single numeri... | cb7_supplement | base |
t1_5550 | task1 | 3 | Cucurbit[7]uril | Rhodamine methylester chloride | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Rhodamine methylester chloride (SMILES: COC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N.Cl) in aqueous solutio... | cb7_supplement | base |
t1_8285 | task1 | 5.6021 | Cucurbit[7]uril | (2S)-2-amino-3-phenylpropanoic acidhydrochloride | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule (2S)-2-amino-3-phenylpropanoic acidhydrochloride (SMILES: C1=CC=C(C=C1)CC(C(=O)O)N.Cl) in aqueous solution at stan... | cb7_supplement | base |
t1_51 | task1 | 5.7709 | Cucurbit[7]uril | Pancuronium | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Pancuronium (SMILES: CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C) in aqueous sol... | cb7_supplement | base |
t1_4107 | task1 | 3.4099 | Cucurbit[7]uril | Sodium chloride | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Sodium chloride (SMILES: [Na+].[Cl-]) in aqueous solution at standard conditions. Provide a single numerical value... | cb7_supplement | base |
t1_7082 | task1 | 4.741 | Cucurbit[7]uril | Tetrakis(pyridin-4-ylsulfanyl)-phthalocyaninato zinc(II) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Tetrakis(pyridin-4-ylsulfanyl)-phthalocyaninato zinc(II) (SMILES: C[N+](C=C1)=CC=C1SC2=CC(C(C=C2)=C3N=C(C4=C5C=CC(... | cb7_supplement | base |
t1_8914 | task1 | 4.3911 | Cucurbit[7]uril | Aluminum cation | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Aluminum cation (SMILES: [Al+3]) in aqueous solution at standard conditions. Provide a single numerical value.
Pu... | cb7_supplement | base |
t1_2265 | task1 | 11.1139 | Cucurbit[7]uril | Cyclohexylmethanaminium | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Cyclohexylmethanaminium (SMILES: C1CCC(CC1)C[NH3+]) in aqueous solution at standard conditions. Provide a single n... | cb7_supplement | base |
t1_7092 | task1 | 3.6435 | Cucurbit[7]uril | Strontium cation | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Strontium cation (SMILES: [Sr+2]) in aqueous solution at standard conditions. Provide a single numerical value.
P... | cb7_supplement | base |
t1_7287 | task1 | 5.7482 | Cucurbit[7]uril | Tryptophyl-Glycine | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Tryptophyl-Glycine (SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)O)N) in aqueous solution at standard conditions. P... | cb7_supplement | base |
t1_8891 | task1 | 8.4857 | Cucurbit[7]uril | 5-Bromo-2-adamantanone | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule 5-Bromo-2-adamantanone (SMILES: C1C2CC3CC(C2)(CC1C3=O)Br) in aqueous solution at standard conditions. Provide a si... | cb7_supplement | base |
t1_9003 | task1 | 4.2504 | Cucurbit[7]uril | (2-(2-(2-(2-(4-(pyridine-2-yl)-1H-1,2,3-triazole-1-yl)ethoxy)ethoxy)ethoxy)ethan-1-ol) | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule (2-(2-(2-(2-(4-(pyridine-2-yl)-1H-1,2,3-triazole-1-yl)ethoxy)ethoxy)ethoxy)ethan-1-ol) (SMILES: OCCOCCOCCOCCN1C=C2... | cb7_supplement | base |
t1_7085 | task1 | 1.8513 | Cucurbit[7]uril | Potassium cation | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Predict the binding affinity (logKa) between the host molecule Cucurbit[7]uril and the guest molecule Potassium cation (SMILES: [K+]) in aqueous solution at standard conditions. Provide a single numerical value.
Put... | cb7_supplement | base |
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