Index SMILES Probability Label Compound_1 COCCOC 0.96 1.0 Compound_2 COCCO[Si](OCCOC)(OCCOC)C=C 0.83 1.0 Compound_3 COCCO 0.99 1.0 Compound_4 COCCl 0.92 1.0 Compound_5 COCCC#N 0.92 1.0 Compound_6 COCC(=O)O 0.96 1.0 Compound_7 COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)N 0.02 0.0 Compound_8 COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC 0.46 0.0 Compound_9 COc1ccc2c(c1)sc(n2)N 0.98 1.0 Compound_10 COc1ccc2c(c1)CCCC2=O 0.97 1.0 Compound_11 COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)OC 0.1 0.0 Compound_12 O=Cc1ccccc1OC 0.98 1.0 Compound_13 COc1cccc(c1O)O 0.98 1.0 Compound_14 COc1ccc(cc1)O 0.95 1.0 Compound_15 COc1ccc(cc1)n1nc(cc1c1ccc(cc1)S(=O)C)C(F)F 0.8 1.0 Compound_16 COc1ccc(cc1)N 0.97 1.0 Compound_17 OCc1ccc(cc1)OC 0.98 1.0 Compound_18 COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O 0.48 0.0 Compound_19 COc1ccc(cc1)C=O 0.96 1.0 Compound_20 COc1ccc(cc1)C(=O)OC 0.91 1.0