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_2567 | task1 | 5.6628 | Cucurbit[7]uril | N-((5-chlorofuran-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-chlorofuran-2-yl)methyl)prop-2-en-1-amine (SMILES: C=CCNCC1=CC=C(Cl)O1) in aqueous solution at standard cond... | cb7_supplement | base |
t1_4997 | task1 | 1.0414 | Cucurbit[7]uril | Acetonitrile | 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 Acetonitrile (SMILES: CC#N) in aqueous solution at standard conditions. Provide a single numerical value.
Put you... | cb7_supplement | base |
t1_8429 | task1 | 14.301 | Cucurbit[7]uril | bicyclo[2.2.2]octane-1,4-diyldimethanamine | 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[2.2.2]octane-1,4-diyldimethanamine (SMILES: NCC12CCC(CC1)(CC2)CN) in aqueous solution at standard conditio... | cb7_supplement | base |
t1_9350 | task1 | 4.9138 | Cucurbit[7]uril | TMPyP4 | 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 TMPyP4 (SMILES: C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)... | cb7_supplement | base |
t1_8778 | task1 | 5.9031 | Cucurbit[7]uril | 1-benzyl-3-methylimidazol-3-ium 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 1-benzyl-3-methylimidazol-3-ium bromide (SMILES: C[N+]1=CN(C=C1)CC2=CC=CC=C2.[Br-]) in aqueous solution at standar... | cb7_supplement | base |
t1_5549 | task1 | 4.1461 | Cucurbit[7]uril | Tetramethylrhodamine | 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 Tetramethylrhodamine (SMILES: CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)[O-]) in aqueous solut... | cb7_supplement | base |
t1_5461 | task1 | 5.9287 | Cucurbit[7]uril | 7-Methoxy-4-methylflavylium 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 7-Methoxy-4-methylflavylium cation (SMILES: COc1ccc2c(c1)[o+]c(cc2C)c1ccccc1) in aqueous solution at standard cond... | cb7_supplement | base |
t1_8374 | task1 | 6.2788 | Cucurbit[7]uril | [C3mim]Br | 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 [C3mim]Br (SMILES: CCCN1C[NH+](C=C1)C.[Br-]) in aqueous solution at standard conditions. Provide a single numerica... | cb7_supplement | base |
t1_4061 | task1 | 3.425 | Cucurbit[7]uril | Rubidium 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 Rubidium chloride (SMILES: [Cl-].[Rb+]) in aqueous solution at standard conditions. Provide a single numerical val... | cb7_supplement | base |
t1_8426 | task1 | 12.3406 | Cucurbit[7]uril | ((Dimethylamino)methyl)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 ((Dimethylamino)methyl)ferrocene (SMILES: CN(C)CC1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+2]) in aqueous solution at standar... | cb7_supplement | base |
t1_5159 | task1 | 4.5302 | Cucurbit[7]uril | 6-(p-toluidino)-2-naphthalenesulfonic acid sodium salt | 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-(p-toluidino)-2-naphthalenesulfonic acid sodium salt (SMILES: CC1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-... | cb7_supplement | base |
t1_8777 | task1 | 5.4771 | Cucurbit[7]uril | 2NpCH2ImidMe | 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 2NpCH2ImidMe (SMILES: C[N+]1=CN(C=C1)CC2=CC3=CC=CC=C3C=C2.[Br-]) in aqueous solution at standard conditions. Provi... | cb7_supplement | base |
t1_9248 | task1 | 4.7987 | Cucurbit[7]uril | cyanine dye LDP | 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 cyanine dye LDP (SMILES: Nc1ccc(cc1)OCC[n+]1ccc(cc1)/C=C/c1ccc(cc1)N(C)C) in aqueous solution at standard conditio... | cb7_supplement | base |
t1_4101 | task1 | 5.0306 | Cucurbit[7]uril | Barium 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 Barium chloride (SMILES: [Cl-].[Cl-].[Ba+2]) in aqueous solution at standard conditions. Provide a single numerica... | cb7_supplement | base |
t1_6360 | task1 | 6.3365 | Cucurbit[7]uril | AM Phe | 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 (SMILES: C1=CC(=CC=C1CC(C(=O)O)N)CN) in aqueous solution at standard conditions. Provide a single numerical... | cb7_supplement | base |
t1_4946 | task1 | 7.1271 | Cucurbit[7]uril | 2,3-Diazabicyclo(2.2.2)oct-2-ene | 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 2,3-Diazabicyclo(2.2.2)oct-2-ene (SMILES: C1CC2CCC1N=N2) in aqueous solution at standard conditions. Provide a sin... | cb7_supplement | base |
t1_6268 | task1 | 4.4822 | Cucurbit[7]uril | Thr-Gly-Ser-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-Ser-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)CO)Cc1cccc... | cb7_supplement | base |
t1_7256 | task1 | 2.69 | Cucurbit[7]uril | 11-aminoundecanoic acid | 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 11-aminoundecanoic acid (SMILES: C(CCCCCN)CCCCC(=O)O) in aqueous solution at standard conditions. Provide a single... | cb7_supplement | base |
t1_7285 | task1 | 6.5563 | Cucurbit[7]uril | Tyrosyl-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 Tyrosyl-Glycine (SMILES: C1=CC(=CC=C1CC(C(=O)NCC(=O)O)N)O) in aqueous solution at standard conditions. Provide a s... | cb7_supplement | base |
t1_5164 | task1 | 7.7853 | Cucurbit[7]uril | Flavopereirine perchlorate | 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 Flavopereirine perchlorate (SMILES: CCC1=C[N+]2=C(C=C1)C3=C(C=C2)C4=CC=CC=C4N3.[O-]Cl(=O)(=O)=O) in aqueous soluti... | cb7_supplement | base |
t1_6366 | task1 | 6.6776 | Cucurbit[7]uril | tBu 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 tBu Phe-Gly-Gly (SMILES: N[C@H](C(=O)NCC(=O)NCC(=O)O)Cc1ccc(cc1)C(C)(C)C) in aqueous solution at standard conditio... | cb7_supplement | base |
t1_5768 | task1 | 4.2041 | Cucurbit[7]uril | L-Tyrosine | 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-Tyrosine (SMILES: C1=CC(=CC=C1CC(C(=O)O)N)O) in aqueous solution at standard conditions. Provide a single numeri... | cb7_supplement | base |
t1_5405 | task1 | 6.2996 | Cucurbit[7]uril | 6-Methoxy-1-methylquinolinium | 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-Methoxy-1-methylquinolinium (SMILES: C[N+]1=CC=CC2=C1C=CC(=C2)OC) in aqueous solution at standard conditions. Pr... | cb7_supplement | base |
t1_1915 | task1 | 5.4024 | Cucurbit[7]uril | 4-(dimethylamino)benzonitrile | 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 4-(dimethylamino)benzonitrile (SMILES: CN(C)C1=CC=C(C=C1)C#N) in aqueous solution at standard conditions. Provide ... | cb7_supplement | base |
t1_4974 | task1 | 4.4362 | Cucurbit[7]uril | tert-Butylbenzylketone | 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 tert-Butylbenzylketone (SMILES: O=C(C(C)(C)C)Cc1ccccc1) in aqueous solution at standard conditions. Provide a sing... | cb7_supplement | base |
t1_5157 | task1 | 4.7701 | Cucurbit[7]uril | Progesterone | 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 Progesterone (SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C) in aqueous solution at standard conditions. Provid... | cb7_supplement | base |
t1_8529 | task1 | 7.2279 | Cucurbit[7]uril | Phenoxy-1,2-dioxetane | 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 Phenoxy-1,2-dioxetane (SMILES: COC1(OOC21[C@@H]1C[C@@H]3C[C@H]2C[C@H](C1)C3)c1cccc(c1)O) in aqueous solution at st... | cb7_supplement | base |
t1_8390 | task1 | 6.9494 | Cucurbit[7]uril | 1-methyl-3-octylimidazol-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 1-methyl-3-octylimidazol-1-ium chloride (SMILES: CCCCCCCCN1C=C[N+](=C1)C.[Cl-]) in aqueous solution at standard co... | cb7_supplement | base |
t1_8164 | task1 | 12.6232 | Cucurbit[7]uril | 1-Adamantanamine | 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-Adamantanamine (SMILES: C1C2CC3CC1CC(C2)(C3)N) in aqueous solution at standard conditions. Provide a single nume... | cb7_supplement | base |
t1_3292 | task1 | 7.1461 | Cucurbit[7]uril | Cadaverine (fully protonated 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 Cadaverine (fully protonated form) (SMILES: [NH3+]CCCCC[NH3+]) in aqueous solution at standard conditions. Provide... | cb7_supplement | base |
t1_5051 | task1 | 4.5051 | Cucurbit[7]uril | Histamine | 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 Histamine (SMILES: C1=C(NC=N1)CCN) in aqueous solution at standard conditions. Provide a single numerical value.
... | cb7_supplement | base |
t1_2576 | task1 | 6.7482 | Cucurbit[7]uril | 6-methyl-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-methyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole (SMILES: CC12C=CC3(O2)CNCC3C1) in aqueous solution at standard... | cb7_supplement | base |
t1_6267 | task1 | 3.7475 | Cucurbit[7]uril | (2S)-2-((2S)-2-((2S)-2-(2-((3R)-2-amino-3-hydroxybutanamido)acetamido)propanamido)-3-phenylpropanamido)-4-methylpentanamide | 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-((2S)-2-((2S)-2-(2-((3R)-2-amino-3-hydroxybutanamido)acetamido)propanamido)-3-phenylpropanamido)-4-methylpe... | cb7_supplement | base |
t1_6273 | task1 | 6.5256 | Cucurbit[7]uril | H-phe-leu-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-leu-oh (SMILES: CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N) in aqueous solution at standard conditions. Provide a... | cb7_supplement | base |
t1_8389 | task1 | 6.9191 | Cucurbit[7]uril | 1-methyl-3-octylimidazol-1-ium;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 1-methyl-3-octylimidazol-1-ium;bromide (SMILES: CCCCCCCCN1C=C[N+](=C1)C.[Br-]) in aqueous solution at standard con... | cb7_supplement | base |
t1_4969 | task1 | 3.4914 | Cucurbit[7]uril | 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 2-butanone (SMILES: CCC(=O)C) in aqueous solution at standard conditions. Provide a single numerical value.
Put y... | cb7_supplement | base |
t1_8286 | task1 | 11.0414 | Cucurbit[7]uril | 1-Adamantylammonium 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-Adamantylammonium chloride (SMILES: C1C2CC3CC1CC(C2)(C3)[NH3+].[Cl-]) in aqueous solution at standard conditions... | cb7_supplement | base |
t1_6271 | task1 | 7.3795 | Cucurbit[7]uril | 2-(2-amino-3-phenylpropanamido)-4-(methylthio)butanamide | 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-amino-3-phenylpropanamido)-4-(methylthio)butanamide (SMILES: CSCCC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)N) in aqueous ... | cb7_supplement | base |
t1_5771 | task1 | 8.7924 | Cucurbit[7]uril | Epiberberine | 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 Epiberberine (SMILES: COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC5=C(C4=C3)OCO5)OC) in aqueous solution at standard condit... | cb7_supplement | base |
t1_7769 | task1 | 0 | Cucurbit[7]uril | 1,1'-(3-(methoxycarbonyl)pentane-1,5-diyl)bis(pyridin-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 1,1'-(3-(methoxycarbonyl)pentane-1,5-diyl)bis(pyridin-1-ium) (SMILES: COC(=O)C(CC[n+]1ccccc1)CC[n+]1ccccc1) in aqu... | cb7_supplement | base |
t1_2024 | task1 | 5.2742 | Cucurbit[7]uril | 1-methyl-3-[[4-[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]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-[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]phenyl]methyl]imidazol-1-ium (SMILES: C[N+]1=CN(C=C1... | cb7_supplement | base |
t1_5548 | task1 | 4.699 | Cucurbit[7]uril | Rhodamine 6G | 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 6G (SMILES: CCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.[Cl-]) in aqueous solutio... | cb7_supplement | base |
t1_8249 | task1 | 6.5441 | Cucurbit[7]uril | 4,4'-Bipyridine 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 4,4'-Bipyridine dihydrochloride (SMILES: n1ccc(cc1)c1ccncc1.Cl.Cl) in aqueous solution at standard conditions. Pro... | cb7_supplement | base |
t1_6280 | task1 | 5.3617 | Cucurbit[7]uril | Trp-met-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 Trp-met-gly (SMILES: CSCCC(C(=O)NCC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N) in aqueous solution at standard conditions.... | cb7_supplement | base |
t1_4104 | task1 | 2.3404 | Cucurbit[7]uril | Lithium 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 Lithium chloride (SMILES: [Li+].[Cl-]) in aqueous solution at standard conditions. Provide a single numerical valu... | cb7_supplement | base |
t1_4056 | task1 | 1.9443 | Cucurbit[7]uril | Nitric acid | 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 Nitric acid (SMILES: [N+](=O)(O)[O-]) in aqueous solution at standard conditions. Provide a single numerical value... | cb7_supplement | base |
t1_2555 | task1 | 6.4771 | Cucurbit[7]uril | N-(furan-2-ylmethyl)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-(furan-2-ylmethyl)prop-2-en-1-amine (SMILES: C=CCNCC1=CC=CO1) in aqueous solution at standard conditions. Provid... | cb7_supplement | base |
t1_7069 | task1 | 6.7404 | Cucurbit[7]uril | Hexyltrimethylammonium 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 Hexyltrimethylammonium bromide (SMILES: CCCCCC[N+](C)(C)C.[Br-]) in aqueous solution at standard conditions. Provi... | cb7_supplement | base |
t1_5146 | task1 | 4.79 | Cucurbit[7]uril | 1-Butanol | 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-Butanol (SMILES: CCCCO) in aqueous solution at standard conditions. Provide a single numerical value.
Put your ... | cb7_supplement | base |
t1_4941 | task1 | 2.8926 | Cucurbit[7]uril | N,N-dimethylformamide | 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,N-dimethylformamide (SMILES: CN(C)C=O) in aqueous solution at standard conditions. Provide a single numerical va... | cb7_supplement | base |
t1_8063 | task1 | 9.5185 | Cucurbit[7]uril | p-xylylenediamine 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 p-xylylenediamine dihydrochloride (SMILES: NCc1ccc(cc1)CN.Cl.Cl) in aqueous solution at standard conditions. Provi... | cb7_supplement | base |
t1_3044 | task1 | 12.6075 | Cucurbit[7]uril | (Trimethylamino)methyl)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 (Trimethylamino)methyl)ferrocene (SMILES: C[N+](C)(C)CC1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+2]) in aqueous solution at s... | cb7_supplement | base |
t1_4098 | task1 | 4.5499 | Cucurbit[7]uril | Strontium chloride hexahydrate | 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 chloride hexahydrate (SMILES: O.O.O.O.O.O.[Cl-].[Cl-].[Sr+2]) in aqueous solution at standard conditions... | cb7_supplement | base |
t1_4939 | task1 | 2.13 | Cucurbit[7]uril | Dimethyl sulfoxide | 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 Dimethyl sulfoxide (SMILES: CS(=O)C) in aqueous solution at standard conditions. Provide a single numerical value.... | cb7_supplement | base |
t1_5553 | task1 | 4.2304 | Cucurbit[7]uril | Brilliant green | 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 Brilliant green (SMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.OS(=O)(=O)[O-]) in aqueous sol... | cb7_supplement | base |
t1_7284 | task1 | 3.1139 | Cucurbit[7]uril | Glycyl-phenylalanine | 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 Glycyl-phenylalanine (SMILES: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN) in aqueous solution at standard conditions. Provide... | cb7_supplement | base |
t1_2298 | task1 | 11.2304 | Cucurbit[7]uril | N1,N1'-(hexane-1,6-diyl)bis(ethane-1,2-diaminium) | 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'-(hexane-1,6-diyl)bis(ethane-1,2-diaminium) (SMILES: [NH3+]CC[NH2+]CCCCCC[NH2+]CC[NH3+]) in aqueous solution... | cb7_supplement | base |
t1_6118 | task1 | 3.4314 | Cucurbit[7]uril | Gly-tyr-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 Gly-tyr-gly (SMILES: C1=CC(=CC=C1CC(C(=O)NCC(=O)O)NC(=O)CN)O) in aqueous solution at standard conditions. Provide ... | cb7_supplement | base |
t1_4095 | task1 | 4.1295 | Cucurbit[7]uril | Calcium 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 Calcium chloride (SMILES: [Cl-].[Cl-].[Ca+2]) in aqueous solution at standard conditions. Provide a single numeric... | cb7_supplement | base |
t1_4197 | task1 | 3.24 | Cucurbit[7]uril | Magnesium 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 Magnesium chloride (SMILES: [Mg+2].[Cl-].[Cl-]) in aqueous solution at standard conditions. Provide a single numer... | cb7_supplement | base |
t1_7070 | task1 | 6.8062 | Cucurbit[7]uril | Octyltrimethylammonium 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 Octyltrimethylammonium bromide (SMILES: CCCCCCCC[N+](C)(C)C.[Br-]) in aqueous solution at standard conditions. Pro... | cb7_supplement | base |
t1_1159 | task1 | 5.0414 | Cucurbit[7]uril | Rhodamine B benzyl ester | 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 benzyl ester (SMILES: O=C(OCC1=CC=CC=C1)C2=CC=CC=C2C(C3=CC=C(N(CC)CC)C=C3O4)=C(C=C/5)C4=CC5=[N+](CC)\C... | cb7_supplement | base |
t1_6269 | task1 | 4.3495 | Cucurbit[7]uril | Thr-Gly-Gly-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-Gly-Phe-Met-NH2 (SMILES: CSCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C([C@H](O)C)N) in aqu... | cb7_supplement | base |
t1_204 | task1 | 5.3598 | Cucurbit[7]uril | (E)-4-(4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecan-10-yl)styryl)-1-methylpyridin-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 (E)-4-(4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecan-10-yl)styryl)-1-methylpyridin-1-ium (SMILES: C[N+](C=C1)=CC=... | cb7_supplement | base |
t1_5842 | task1 | 14.8899 | Cucurbit[7]uril | (E)-4-(2-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)vinyl)-1-(3-(trimethylammonio)propyl)pyridin-1-ium 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 (E)-4-(2-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)vinyl)-1-(3-(trimethylammonio)propyl)pyridin-1-ium bromide (SMILE... | cb7_supplement | base |
t1_5932 | task1 | 6.2788 | Cucurbit[7]uril | Oxazine 1 | 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 Oxazine 1 (SMILES: CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2) in aqueous solution at standard conditions. P... | cb7_supplement | base |
t1_6639 | task1 | 4.2405 | Cucurbit[7]uril | D/L-Adrenaline | 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-Adrenaline (SMILES: CNCC(C1=CC(=C(C=C1)O)O)O) in aqueous solution at standard conditions. Provide a single num... | cb7_supplement | base |
t1_6836 | task1 | 2.49 | Cucurbit[7]uril | Ethanol | 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 Ethanol (SMILES: CCO) in aqueous solution at standard conditions. Provide a single numerical value.
Put your fina... | cb7_supplement | base |
t1_5407 | task1 | 5.9031 | Cucurbit[7]uril | Bis(3,5-dimethoxybenzyl)-4,4′-bipyridinium | 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(3,5-dimethoxybenzyl)-4,4′-bipyridinium (SMILES: COc1cc(cc(c1)OC)C[n+]1ccc(cc1)c1cc[n+](cc1)Cc1cc(OC)cc(c1)OC) ... | cb7_supplement | base |
t1_5841 | task1 | 10.0792 | Cucurbit[7]uril | styrylcoumarin | 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 styrylcoumarin (SMILES: CCN(c1ccc2c(c1)oc(=O)c(c2)/C=C/c1cc[n+](cc1)C)CC.[I-]) in aqueous solution at standard con... | cb7_supplement | base |
t1_2874 | task1 | 6.2788 | Cucurbit[7]uril | Geranylamine | 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 Geranylamine (SMILES: CC(=CCCC(=CCN)C)C) in aqueous solution at standard conditions. Provide a single numerical va... | cb7_supplement | base |
t1_8781 | task1 | 5.6128 | Cucurbit[7]uril | N,N,N-trimethylanthracen-2-aminium 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 N,N,N-trimethylanthracen-2-aminium chloride (SMILES: C[N+](c1ccc2c(c1)cc1c(c2)cccc1)(C)C.[Cl-]) in aqueous solutio... | cb7_supplement | base |
t1_7094 | task1 | 3.301 | Cucurbit[7]uril | Europium(3+) | 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 Europium(3+) (SMILES: [Eu+3]) in aqueous solution at standard conditions. Provide a single numerical value.
Put y... | cb7_supplement | base |
t1_5552 | task1 | 5.6021 | Cucurbit[7]uril | Sulforhodamine 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 Sulforhodamine b (SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)[O-]... | cb7_supplement | base |
t1_7087 | task1 | 2.8388 | Cucurbit[7]uril | Cesium 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 Cesium cation (SMILES: [Cs+]) in aqueous solution at standard conditions. Provide a single numerical value.
Put y... | cb7_supplement | base |
t1_8375 | task1 | 6.7993 | Cucurbit[7]uril | 1H-Imidazolium, 3-butyl-1-methyl-, 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 1H-Imidazolium, 3-butyl-1-methyl-, bromide (SMILES: CCCC[N+]1=CN(C)C=C1.[Br-]) in aqueous solution at standar... | cb7_supplement | base |
t1_7288 | task1 | 2.4472 | Cucurbit[7]uril | Glycyl-dl-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 Glycyl-dl-Tryptophan (SMILES: NCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2) in aqueous solution at standard conditions. Prov... | cb7_supplement | base |
t1_6270 | task1 | 3.4587 | Cucurbit[7]uril | ((3R)-2-amino-3-hydroxybutanoyl)glycyl-L-alanyl-L-phenylalanyl-L-leucine | 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 ((3R)-2-amino-3-hydroxybutanoyl)glycyl-L-alanyl-L-phenylalanyl-L-leucine (SMILES: CC(C[C@@H](C(=O)O)NC(=O)[C@@H](N... | cb7_supplement | base |
t1_2258 | task1 | 9.3222 | Cucurbit[7]uril | 6-Azaniumylhexylazanium | 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-Azaniumylhexylazanium (SMILES: C(CCC[NH3+])CC[NH3+]) in aqueous solution at standard conditions. Provide a singl... | cb7_supplement | base |
t1_6148 | task1 | 7.0792 | Cucurbit[7]uril | 1,1'-bis(3-aminopropyl)-4,4'-bipyridinium | 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(3-aminopropyl)-4,4'-bipyridinium (SMILES: C1=C[N+](=CC=C1C2=CC=[N+](C=C2)CCCN)CCCN) in aqueous solution a... | cb7_supplement | base |
t1_4998 | task1 | 4.8129 | Cucurbit[7]uril | Albendazole | 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 Albendazole (SMILES: CCCSC1=CC=C2C(NC(NC(OC)=O)=N2)=C1) in aqueous solution at standard conditions. Provide a sing... | cb7_supplement | base |
t1_7 | task1 | 3 | Cucurbit[7]uril | Cholic acid | 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 Cholic acid (SMILES: CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C) in aqueous solution at standard conditi... | cb7_supplement | base |
t1_8355 | task1 | 5.2732 | Cucurbit[7]uril | 4-(diethylamino)benzonitrile | 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 4-(diethylamino)benzonitrile (SMILES: CCN(CC)C1=CC=C(C=C1)C#N) in aqueous solution at standard conditions. Provide... | cb7_supplement | base |
t1_2033 | task1 | 8.8299 | Cucurbit[7]uril | bis(dimethylpyridinium)diarylethene (open 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 (open form) (SMILES: C[N+]1=CC=C(C2=CC(C3=C(C4=C(C)SC(C(C=C5)=CC=[N+]5C)=C4)CC... | cb7_supplement | base |
t1_8284 | task1 | 6.2553 | Cucurbit[7]uril | 1,4-Phenylenediamine 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 1,4-Phenylenediamine dihydrochloride (SMILES: C1=CC(=CC=C1N)N.Cl.Cl) in aqueous solution at standard conditions. P... | cb7_supplement | base |
t1_1844 | task1 | 9.7853 | Cucurbit[7]uril | Bicyclo[2.2.2]octane-1,4-diyldimethanol | 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[2.2.2]octane-1,4-diyldimethanol (SMILES: C1CC2(CCC1(CC2)CO)CO) in aqueous solution at standard conditions.... | cb7_supplement | base |
t1_8890 | task1 | 9.0253 | Cucurbit[7]uril | 5-Chloro-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-Chloro-2-adamantanone (SMILES: C1C2CC3CC(C2)(CC1C3=O)Cl) in aqueous solution at standard conditions. Provide a s... | cb7_supplement | base |
t1_7283 | task1 | 7.4771 | Cucurbit[7]uril | Phenylalanylglycine | 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 Phenylalanylglycine (SMILES: C1=CC=C(C=C1)CC(C(=O)NCC(=O)O)N) in aqueous solution at standard conditions. Provide ... | cb7_supplement | base |
t1_2282 | task1 | 5.5709 | Cucurbit[7]uril | Cyclopentanone | 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 Cyclopentanone (SMILES: C1CCC(=O)C1) in aqueous solution at standard conditions. Provide a single numerical value.... | cb7_supplement | base |
t1_6145 | task1 | 6.6335 | Cucurbit[7]uril | 1-(3-aminopropyl)-4-4'-bipyridinium | 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-aminopropyl)-4-4'-bipyridinium (SMILES: [NH3+]CCC[n+]1ccc(cc1)c1ccncc1) in aqueous solution at standard condi... | cb7_supplement | base |
t1_6359 | task1 | 6.6021 | Cucurbit[7]uril | tBu Phe | 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 tBu Phe (SMILES: CC(C)(C)C1=CC=C(C=C1)CC(C(=O)O)N) in aqueous solution at standard conditions. Provide a single nu... | cb7_supplement | base |
t1_6279 | task1 | 5.8062 | Cucurbit[7]uril | tyrosylmethionine | 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 tyrosylmethionine (SMILES: CSCCC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N) in aqueous solution at standard conditions. Pro... | cb7_supplement | base |
t1_4119 | task1 | 3.5 | Cucurbit[7]uril | Nickel 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 Nickel chloride (SMILES: Cl[Ni]Cl) in aqueous solution at standard conditions. Provide a single numerical value.
... | cb7_supplement | base |
t1_2417 | task1 | 7.0253 | Cucurbit[7]uril | (R)-1-(2-naphthyl)ethylammonium | 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 (R)-1-(2-naphthyl)ethylammonium (SMILES: CC(C1=CC2=CC=CC=C2C=C1)[NH3+]) in aqueous solution at standard conditions... | cb7_supplement | base |
t1_5409 | task1 | 5.9031 | Cucurbit[7]uril | 1,1'-bis(3,5-diethoxybenzyl)-[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(3,5-diethoxybenzyl)-[4,4'-bipyridine]-1,1'-diium (SMILES: CCOc1cc(cc(c1)OCC)C[n+]1ccc(cc1)c1cc[n+](cc1)Cc... | cb7_supplement | base |
t1_1790 | task1 | 2.7782 | Cucurbit[7]uril | 6-Phenylamino-naphthalene-2-sulfonic acid anion | 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-Phenylamino-naphthalene-2-sulfonic acid anion (SMILES: C1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-]) in aq... | cb7_supplement | base |
t1_6368 | task1 | 6.2923 | Cucurbit[7]uril | Gly-AM Phe-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 Gly-AM Phe-Gly (SMILES: NCC(=O)N[C@H](C(=O)NCC(=O)O)Cc1ccc(cc1)CN) in aqueous solution at standard conditions. Pro... | cb7_supplement | base |
t1_1 | task1 | 3 | Cucurbit[7]uril | Prednisolone | 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 Prednisolone (SMILES: CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O) in aqueous solution at standard conditions... | cb7_supplement | base |
t1_8889 | task1 | 10.5911 | Cucurbit[7]uril | 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 2-Adamantanone (SMILES: C1C2CC3CC1CC(C2)C3=O) in aqueous solution at standard conditions. Provide a single numeric... | cb7_supplement | base |
t1_7093 | task1 | 2.9294 | Cucurbit[7]uril | Gadolinium(3+) | 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 Gadolinium(3+) (SMILES: [Gd+3]) in aqueous solution at standard conditions. Provide a single numerical value.
Put... | cb7_supplement | base |
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