Index SMILES Probability Label Compound_1 CCCC1CN(C(C1)C(=O)NC(C1OC(SC)C(C(C1O)O)O)C(Cl)C)C 0.03 0.0 Compound_2 CCC1(O)C2(C)CCC(C1(C)C)C2 0.19 0.0 Compound_3 C=CC(CCCC(O)(C)C)C 0.28 0.0