Index SMILES Probability Label Compound_1 CCCCS(=O)(=O)SCCl 0.95 1.0 Compound_2 CCCCS(=O)(=O)SCSS(=O)(=O)CCCC 0.89 1.0 Compound_3 [O-][Si]12O[Si]3([O-])O[Si](O2)(O[Si](O1)(O3)[O-])[O-] 0.92 1.0 Compound_4 [O-][Si]([O-])([O-])[O-] 0.94 1.0 Compound_5 N12[Si]34N5[Si]61N3[Si]25N46 0.96 1.0 Compound_6 [O-]C(=O)C(CC(=O)O)(CC(=O)O)O 0.02 0.0 Compound_7 [O-]P(=O)=O 0.95 1.0 Compound_8 [Ag+] 0.95 1.0 Compound_9 OCC([C@H]([C@H]([C@](C(=O)[O-])(CO)O)O)O)O 0.02 0.0 Compound_10 CCCCCCCCC(OC(=O)CC(S(=O)(=O)[O-])C(=O)OCC=C)CCC 0.68 1.0 Compound_11 CCCCCCCCCC(OC(=O)CC(S(=O)(=O)[O-])C(=O)OCC=C)CCC 0.68 1.0 Compound_12 OS(=O)(=O)CCc1ccncc1 0.05 0.0 Compound_13 O=C1[N-]S(=O)(=O)c2c1cccc2 0.62 1.0 Compound_14 [O-2] 0.94 1.0 Compound_15 [O-2] 0.94 1.0 Compound_16 CCCCCCCCC=CCCCCCCCCOS(=O)(=O)[O-] 0.92 1.0 Compound_17 CCCCC(COP(=O)(OP(=O)(OCC(CCCC)CC)O)[O-])CC 0.92 1.0 Compound_18 [O-]P(=O)(C(=C)C)O 0.19 0.0 Compound_19 [O-2] 0.94 1.0 Compound_20 [O-][Si](O)(O)C 0.76 1.0