Index	SMILES	Probability	Label
Compound_1	CC(CC(O)C)C	0.57	1.0
Compound_2	CC(CC(CC(CC(C)C)O)C)C	0.68	1.0
Compound_3	CC(CC(C#C)(O)C)C	0.71	1.0
Compound_4	CC(CC(=O)CC(C)C)C	0.87	1.0
Compound_5	CC(CC(=O)C)C	0.9	1.0
Compound_6	CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C	0.62	1.0
Compound_7	CC(C1=CC2=CC[C@@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)[O-])C	0.48	0.0
Compound_8	CC(c1ccc(cc1)O)C	0.98	1.0
Compound_9	CC(c1ccc(cc1)C(C)C)C	0.99	1.0
Compound_10	CC(c1ccc(c(c1)O)C)C	0.79	1.0
Compound_11	Oc1ccc2c(c1)C(=O)N(C2=O)c1c(cccc1C(C)C)C(C)C	0.84	1.0
Compound_12	COCc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C	0.06	0.0
Compound_13	O=CC(C)C	0.99	1.0
Compound_14	CC(C(=O)O)C	0.54	1.0
Compound_15	O=C(C(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O	0.92	1.0
Compound_16	CC(C(=O)c1ccccc1)C	0.99	1.0
Compound_17	OCC=C(CCC=C(C)C)C	0.2	0.0
Compound_18	C/C(=C\CC[C@]1(C)CCc2c(O1)c(C)cc(c2)O)/CC/C=C(/CCC=C(C)C)\C	0.21	0.0
Compound_19	[O-]CCN(CCO)CCO	0.22	0.0
Compound_20	O=C1OCC2=C1CC[C@]1([C@H]2C[C@H]2[C@@]3([C@@]41O[C@H]4[C@@H]1O[C@@]1(C3=O)C(C)C)O2)C	0.33	0.0