Index	SMILES	Probability	Label
Compound_1	OC(=O)c1ccc(cc1)C(=O)O	0.69	1.0
Compound_2	OB(O)O	0.77	1.0
Compound_3	Nc1ccc(cc1)Nc1ccccc1	1.0	1.0
Compound_4	O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C	0.25	0.0
Compound_5	CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O	0.09	0.0
Compound_6	c1ccc(cc1)N=Nc1ccccc1	0.89	1.0
Compound_7	CCCC(=O)OCC	0.98	1.0
Compound_8	Fc1ccc2c(c1)c(C)cn2NC(=O)c1cnc(nc1C)c1ccccn1	0.1	0.0
Compound_9	C=CC#N	0.98	1.0
Compound_10	CC(CC(=O)CC(C)C)C	0.87	1.0
Compound_11	Cc1cccnc1	0.96	1.0
Compound_12	CN1CCOCC1	0.3	0.0
Compound_13	CC#Cc1nc(Nc2ccccc2)nc(c1)C	0.97	1.0
Compound_14	CCCCCCOC(=O)CCCCC(=O)OCCCCCC	0.86	1.0
Compound_15	CC(=O)OCCOC(=O)C	0.7	1.0
Compound_16	CCCCCCCO	0.96	1.0
Compound_17	COCCOCCO	0.99	1.0
Compound_18	CCCCCCCCC(=O)O	0.83	1.0
Compound_19	Clc1ccc(c(c1)Cl)NC(=O)C1(CC1)C(=O)O	0.15	0.0
Compound_20	C=CC(OC(=O)C)(CCC=C(C)C)C	0.56	1.0