Index	SMILES	Probability	Label
Compound_1	COC(=O)c1ccc(c(c1)Cl)Oc1ccc(cc1OC)C=C1SC(=O)NC1=O	0.87	1.0
Compound_2	O=C(NS(=O)(=O)C)CN1C(=O)S/C(=C\c2ccc3c(c2)cnn3Cc2ccc(cc2C(F)(F)F)Cl)/C1=O	0.25	0.0
Compound_3	COc1ccc(c(c1)C(F)(F)F)Cn1ncc2c1ccc(c2)/C=C/1\SC(=O)N(C1=O)CCN1CCCC1	0.02	0.0
Compound_4	COCCNC(=O)/C(=C/c1ccc(c(c1)OC)OCc1ccc(cc1C(F)(F)F)C(F)(F)F)/C#N	0.03	0.0
Compound_5	Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O	0.99	1.0
Compound_6	O=C(CCC1=N2=[B](F)(F)n3c(C=C2C=C1)c(cc3C)C)NCCCCCOc1cccc(c1)Cn1nc(c2c1sc(c2)C(=O)N1CCN([C@@H](C1)C)c1ccc(cn1)C(=O)C)C	0.08	0.0
Compound_7	OC(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)c(C)nn3Cc2ccc(cc2C(F)(F)F)Cl)/C1=O	0.11	0.0
Compound_8	N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1C(F)(F)F)C(F)(F)F)/C(=O)NCCCCCC(=O)NC(C(C)(C)C)C(=O)N1C[C@@H](CC1C(=O)NCc1ccc(cc1)c1scnc1C)O	0.02	0.0
Compound_9	Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C	0.02	0.0