Index SMILES Probability Label Compound_1 c1ccc(cc1)Oc1ccccc1 0.99 1.0 Compound_2 Brc1ccc(cc1)Oc1ccccc1 1.0 1.0 Compound_3 NNc1ccccc1 0.96 1.0 Compound_4 NC(=S)Nc1ccccc1 0.87 1.0 Compound_5 ClCC(=O)Nc1ccccc1 0.98 1.0 Compound_6 c1ccc(cc1)N=Nc1ccccc1 0.89 1.0 Compound_7 OCc1ccccc1 0.07 0.0 Compound_8 NCc1ccccc1 0.8 1.0 Compound_9 c1ccc(cc1)Cc1ccccc1 0.95 1.0 Compound_10 OC(=O)Cc1ccccc1 0.64 1.0