Index SMILES Probability Label Compound_1 O=N(=O)C=Cc1ccccc1 0.93 1.0 Compound_2 Clc1ccc(cc1)C(=O)c1ccccc1 0.95 1.0 Compound_3 N#Cc1ccccc1 0.99 1.0 Compound_4 OC/C=C/c1ccccc1 0.82 1.0 Compound_5 Clc1nc(nc(n1)Cl)Nc1ccccc1Cl 0.98 1.0