Index SMILES Probability Label Compound_1 Clc1ccc(cc1)N(=O)=O 0.52 1.0 Compound_2 Nc1ccc(cc1)N(=O)=O 0.91 1.0 Compound_3 Oc1ccc(cc1)N(=O)=O 0.99 1.0 Compound_4 Clc1ccc(cc1)S(=O)O 0.65 1.0 Compound_5 N#[N+]c1ccc(cc1)N(C)C 0.77 1.0 Compound_6 N#[N+]c1ccc(cc1)N(=O)=O 0.93 1.0