blc-org/A-secret-data-repo huggingface dataset:
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F, Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O, Ligand: CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1, Base: CCN(CC)CC, Solvent list for selection: C1CCOC1, CO, CN(C)C=O

Candidates ranked from best to worst: CO, CN(C)C=O, C1CCOC1
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F, Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F.[K+], Ligand: CC(C)(C)P(C(C)(C)C)C(C)(C)C, Base: C(=O)(O)[O-].[Na+], Solvent list for selection: CN(C)C=O, C1CCOC1, CO

Candidates ranked from best to worst: CO, C1CCOC1, CN(C)C=O
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F, Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F.[K+], Ligand: Cc1ccccc1P(c1ccccc1C)c1ccccc1C, Base: [OH-].[Na+], Solvent list for selection: CN(C)C=O, CO, C1CCOC1

Candidates ranked from best to worst: CO, C1CCOC1, CN(C)C=O
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: Brc1ccc2ncccc2c1, Cc1ccc2c(cnn2C2CCCCO2)c1Br, Ligand: c1ccc(P(c2ccccc2)c2ccccc2)cc1, Base: [F-].[Cs+], Solvent list for selection: CN(C)C=O, CC#N

Candidates ranked from best to worst: CC#N, CN(C)C=O
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: Clc1ccc2ncccc2c1, Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1, Ligand: COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1, Base: [OH-].[K+], Solvent list for selection: CO, CN(C)C=O, C1CCOC1

Candidates ranked from best to worst: C1CCOC1, CO, CN(C)C=O
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: Ic1ccc2ncccc2c1, Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F.[K+], Ligand: CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1, Base: [OH-].[Na+], Solvent list for selection: CN(C)C=O, C1CCOC1, CO

Candidates ranked from best to worst: CO, C1CCOC1, CN(C)C=O
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: Clc1ccc2ncccc2c1, Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1, Ligand: Cc1ccccc1P(c1ccccc1C)c1ccccc1C, Base: [O-]P(=O)([O-])[O-].[K+].[K+].[K+], Solvent list for selection: C1CCOC1, CO, CN(C)C=O

Candidates ranked from best to worst: CN(C)C=O, C1CCOC1, CO
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F, Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O, Ligand: c1ccc(P(c2ccccc2)c2ccccc2)cc1, Base: [Li+].CC(C)(C)[O-], Solvent list for selection: CN(C)C=O, C1CCOC1, CO

Candidates ranked from best to worst: CO, C1CCOC1, CN(C)C=O
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F, Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F.[K+], Ligand: CC(C)(C)P(C(C)(C)C)C(C)(C)C, Base: [F-].[Cs+], Solvent list for selection: C1CCOC1, CO, CN(C)C=O

Candidates ranked from best to worst: CO, C1CCOC1, CN(C)C=O
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: Ic1ccc2ncccc2c1, Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1, Ligand: c1ccc(P(c2ccccc2)c2ccccc2)cc1, Base: [OH-].[Na+], Solvent list for selection: CO, C1CCOC1, CN(C)C=O

Candidates ranked from best to worst: CO, CN(C)C=O, C1CCOC1
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: F[B-](F)(F)c1ccc2ncccc2c1, Cc1ccc2c(cnn2C2CCCCO2)c1Br, Ligand: C1CCC(P(C2CCCCC2)C2CCCCC2)CC1, Base: [O-]P(=O)([O-])[O-].[K+].[K+].[K+], Solvent list for selection: C1CCOC1, CC#N, CN(C)C=O

Candidates ranked from best to worst: CN(C)C=O, C1CCOC1, CC#N
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: Brc1ccc2ncccc2c1, Cc1ccc2c(cnn2C2CCCCO2)c1Br, Ligand: CC(C)(C)P(C(C)(C)C)C(C)(C)C, Base: CCN(CC)CC, Solvent list for selection: CC#N, CN(C)C=O

Candidates ranked from best to worst: CC#N, CN(C)C=O
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F, Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1, Ligand: C1CCC(P(C2CCCCC2)C2CCCCC2)CC1, Base: C(=O)(O)[O-].[Na+], Solvent list for selection: C1CCOC1, CN(C)C=O, CO

Candidates ranked from best to worst: C1CCOC1, CO, CN(C)C=O
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F, Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O, Ligand: CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21, Base: [Li+].CC(C)(C)[O-], Solvent list for selection: C1CCOC1, CN(C)C=O, CO

Candidates ranked from best to worst: C1CCOC1, CO, CN(C)C=O
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: Clc1ccc2ncccc2c1, Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O, Ligand: CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2, Base: [Li+].CC(C)(C)[O-], Solvent list for selection: CO, CN(C)C=O, C1CCOC1

Candidates ranked from best to worst: C1CCOC1, CO, CN(C)C=O
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: Brc1ccc2ncccc2c1, Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F.[K+], Ligand: C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1, Base: [O-]P(=O)([O-])[O-].[K+].[K+].[K+], Solvent list for selection: C1CCOC1, CN(C)C=O, CO

Candidates ranked from best to worst: CO, C1CCOC1, CN(C)C=O
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: Brc1ccc2ncccc2c1, Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O, Ligand: c1ccc(P(c2ccccc2)c2ccccc2)cc1, Base: [O-]P(=O)([O-])[O-].[K+].[K+].[K+], Solvent list for selection: C1CCOC1, CO, CN(C)C=O

Candidates ranked from best to worst: CO, CN(C)C=O, C1CCOC1
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: Ic1ccc2ncccc2c1, Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O, Ligand: CC(C)(C)P(C(C)(C)C)C(C)(C)C, Base: [O-]P(=O)([O-])[O-].[K+].[K+].[K+], Solvent list for selection: C1CCOC1, CO, CN(C)C=O

Candidates ranked from best to worst: CO, C1CCOC1, CN(C)C=O
Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent out of the given ones that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. Input: The SMILES of the reactants and reagents. Output: The SMILES of the selected optimal solvent. Reactants: Ic1ccc2ncccc2c1, Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F.[K+], Ligand: COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1, Base: C(=O)(O)[O-].[Na+], Solvent list for selection: C1CCOC1, CO, CN(C)C=O

Candidates ranked from best to worst: CO, C1CCOC1, CN(C)C=O