Index	SMILES	Probability	Label
Compound_1	CC(=O)N(C)C	0.45	0.0
Compound_2	CC(=O)CC(O)(C)C	0.73	1.0
Compound_3	COC(=O)CC(=O)C	0.77	1.0
Compound_4	CC(=O)c1ccc2c(c1)CCCC2	0.9	1.0
Compound_5	CC(=O)c1ccc2c(c1)Cc1c2cccc1	0.98	1.0
Compound_6	CC(=O)c1ccc[nH]1	0.87	1.0
Compound_7	CC(=O)c1ccccn1	0.86	1.0
Compound_8	CC(=O)c1ccccc1O	0.98	1.0
Compound_9	CC(=O)c1ccccc1	0.91	1.0
Compound_10	COc1ccc(cc1)C(=O)C	0.94	1.0
Compound_11	CC(=O)c1ccc(cc1)O	0.99	1.0
Compound_12	CC(=O)c1ccc(cc1)N(=O)=O	0.99	1.0
Compound_13	CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C	0.98	1.0
Compound_14	CC(=O)C=Cc1ccccc1	0.97	1.0
Compound_15	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C	0.4	0.0
Compound_16	N#C[C@@H]1C[C@@H]2[C@]([C@H]1C(=O)C)(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O	0.25	0.0
Compound_17	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C	0.49	0.0
Compound_18	C=CC(OC(=O)C)(CCC=C(C)C)C	0.56	1.0
Compound_19	C=CC(=C)CCC=C(C)C	0.39	0.0
Compound_20	OC/C=C(\CCC=C(C)C)/C	0.2	0.0