Index SMILES Probability Label Compound_1 OCCNCC 0.91 1.0 Compound_2 CCNCC 0.98 1.0 Compound_3 CCNc1nc(NCC)nc(n1)Cl 0.95 1.0 Compound_4 CCNc1nc(NC(C)C)nc(n1)Cl 0.96 1.0 Compound_5 CCNc1nc(NCC)nc(n1)SC 0.68 1.0 Compound_6 CCNc1nc(N)nc(n1)Cl 0.92 1.0 Compound_7 CCNc1nc(NCC)nc(n1)Cl 0.95 1.0 Compound_8 CCNc1ccccc1 0.71 1.0 Compound_9 CCNc1cccc(c1)C 0.66 1.0 Compound_10 CCNC(=S)NCC 0.7 1.0