Index	SMILES	Probability	Label
Compound_1	COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C	0.17	0.0
Compound_2	C=CCc1ccc(c(c1)OC)OC(=O)Cc1ccccc1	0.82	1.0
Compound_3	COc1cc(ccc1OC(F)F)c1ccc(=O)[nH]n1	0.01	0.0
Compound_4	OC[C@H]1Oc2ccc(cc2O[C@@H]1c1ccc(c(c1)OC)O)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O	0.16	0.0
Compound_5	COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O	0.77	1.0
Compound_6	OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC	0.59	1.0
Compound_7	COc1ccc(cc1N)N	0.95	1.0
Compound_8	COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)Cl	0.0	0.0
Compound_9	COc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)ccc(c2)C(=O)O	0.81	1.0
Compound_10	N#CC1(CCC(CC1)C(=O)O)c1ccc(c(c1)OC1CCCC1)OC	0.32	0.0
Compound_11	COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F	0.03	0.0
Compound_12	COC=O	0.88	1.0
Compound_13	COC(CNC(=O)c1ccccc1OCC(=O)O)C[Hg+]	0.02	0.0
Compound_14	COC(Cc1ccccc1)OC	0.87	1.0
Compound_15	COC(=O)Nc1nc2c([nH]1)cccc2	0.89	1.0