Index	SMILES	Probability	Label
Compound_1	CC(CNCC(O)C)O	0.23	0.0
Compound_2	CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O	0.09	0.0
Compound_3	CC(CN(CC(O)C)CC(O)C)O	0.06	0.0
Compound_4	CC(OC(=O)C(=C)C)CCOC(=O)C(=C)C	0.48	0.0
Compound_5	OCCC(O)C	0.84	1.0
Compound_6	O=CCC(CCCC(O)(C)C)C	0.29	0.0
Compound_7	C=CC(CCCC(O)(C)C)C	0.28	0.0
Compound_8	OCCC(CCC=C(C)C)C	0.19	0.0
Compound_9	O=CCC(CCC=C(C)C)C	0.13	0.0
Compound_10	OC(=O)CCC(c1ccc(cc1)O)(c1ccc(cc1)O)C	0.92	1.0
Compound_11	CC(Cc1ccc(cc1)OCC(=O)O)NCC(c1csc(n1)C(F)(F)F)O	0.03	0.0
Compound_12	CC(CC(O)(C)C)O	0.73	1.0
Compound_13	CC(C1CCCCC1)O	0.78	1.0
Compound_14	CNC(C1CCC(C(O1)OC1C(N)CC(C(C1O)OC1OCC(C(C1O)NC)(C)O)N)N)C	0.01	0.0
Compound_15	ON(C(c1cc2c(s1)cccc2)C)C(=O)N	0.18	0.0
Compound_16	O=CC(c1ccccc1)C	0.92	1.0
Compound_17	CC(OP(=O)(F)C)C	0.95	1.0
Compound_18	CNC(=O)Oc1ccccc1OC(C)C	0.88	1.0
Compound_19	CC(Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O)C	0.92	1.0
Compound_20	COc1ccc2c(c1)c(OC(C)C)c(s2)C(=O)Nc1[n-]nnn1	0.75	1.0