Index SMILES Probability Label Compound_1 CCCc1c(OCCCCc2n[nH]nn2)ccc(c1O)C(=O)C 0.1 0.0 Compound_2 CCCC[Sn](OC(=O)C)(OC(=O)C)CCCC 0.96 1.0 Compound_3 CCCC[Sn](CCCC)(Cl)Cl 0.99 1.0 Compound_4 CCCC[Sn](OC(=O)c1ccccc1)(CCCC)CCCC 0.97 1.0 Compound_5 CCCC[Sn](OC(=O)C(=C)C)(CCCC)CCCC 0.65 1.0 Compound_6 CCCC[Sn](O[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC 0.91 1.0 Compound_7 CCCC[Sn](CCCC)(CCCC)Cl 0.99 1.0 Compound_8 CCCC[Sn](CCCC)(CCCC)CCCC 0.99 1.0 Compound_9 CCCC(C(=O)[O-])CCC 0.68 1.0 Compound_10 CCCC(CO)C 0.97 1.0 Compound_11 CCCC(C)C 0.87 1.0 Compound_12 CCCC(=O)OCCc1ccccc1 0.97 1.0 Compound_13 CCCC(=O)OCCC(C)C 0.89 1.0 Compound_14 CCCC(=O)OCc1ccccc1 0.97 1.0 Compound_15 CCCC(=O)OCC 0.98 1.0 Compound_16 CCCC(=O)OC/C=C(/CCC=C(C)C)\C 0.83 1.0 Compound_17 CCCC(=O)OC(Cc1ccccc1)(C)C 0.77 1.0 Compound_18 CCCC(=O)OC(=O)CCC 0.81 1.0 Compound_19 CCCC(=O)O 0.34 0.0 Compound_20 CCCC(=O)C 0.86 1.0 Compound_21 CCCBr 0.98 1.0 Compound_22 CCC1CO1 0.98 1.0 Compound_23 N#CC1(CCC(CC1)C(=O)O)c1ccc2c(c1)n(nc2CC)C1CCCCC1 0.21 0.0 Compound_24 CCc1ccc(nc1)CCOc1ccc(cc1)CC1SC(=O)NC1=O 0.03 0.0 Compound_25 CCc1ccccc1 0.97 1.0