Index	SMILES	Probability	Label
Compound_1	CCCCCC1CC(O)CC(=O)O1	0.79	1.0
Compound_2	CCCCCC/C=C\CC(CC(=O)O)O	0.17	0.0
Compound_3	CCCCCCCC1OCC2=C1C(=O)OC2	0.76	1.0
Compound_4	O=C1C=CC(O1)CCCCCC(C(O)C)C	0.72	1.0
Compound_5	OCC1C(=CCC2C1(CO)CCCC2(C)CO)C	0.15	0.0
Compound_6	OC(=O)CC1OC(O)C2C3C1C(=C)C2(C)CCC3C(C)C	0.24	0.0
Compound_7	CCCCCCCCCCCCC(/C=C/CCC(=O)O)O	0.22	0.0
Compound_8	COC(=O)C(=C)C1C(O)CC2(C(C1O)C(=O)CCC2O)C	0.18	0.0
Compound_9	O=C(Nc1cc(nn1C)C1CC1)CN1C(=O)c2c(C1=O)cccc2	0.01	0.0
Compound_10	CCCCC/C=C\C(C(C(CCCCCCCC(=O)O)O)O)O	0.23	0.0
Compound_11	CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OCC	0.87	1.0
Compound_12	O=C1N(Cc2ccccc2)Cc2c1nc1cc([nH]n1c2=O)C(C)(C)C	0.03	0.0
Compound_13	CC(=CCc1c(CCc2ccccc2)cc(c(c1O)CC=C(C)C)O)C	0.5	0.0
Compound_14	O=C(C(C(=O)Nc1ccccc1C)c1ccccc1)Nc1ccccc1C	0.12	0.0
Compound_15	CN1CCN(CC1)C(=O)COc1cc(nc2c1cccc2)c1ccccc1	0.1	0.0
Compound_16	CCCCCCC(CC(=O)OC(CC(=O)OC)CCCCCC)O	0.46	0.0
Compound_17	CC(CC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C)C	0.07	0.0
Compound_18	CCC(CC1CCC(O1)C(C(=O)OC(CC1CCC(O1)C(C(=O)O)C)C)C)O	0.07	0.0
Compound_19	COc1ccc(cc1)CN1CCC2C1C(=O)NCC(N2C)CCC(=O)N1CCOCC1	0.01	0.0
Compound_20	OCC1C(OCC(=O)N1Cc1cccnc1)c1ccc(cc1)NC(=O)c1cc(oc1C)C	0.01	0.0
Compound_21	OC[C@H]1O[C@@H](OC/C(=C/CC[C@](C=C)(O)C)/C)[C@@H]([C@H]([C@@H]1O)O)O	0.52	1.0
Compound_22	CC1OC(C)CN(C1)c1ccc(cc1)NC(=S)Nc1ccc(cc1)N1CC(C)OC(C1)C	0.1	0.0
Compound_23	CC(C(C)C)CC(C(C1CCC2(C1(C)CCC1C2=CC(=O)C2C1(C)CC(O)C(C2)O)O)(O)C)O	0.05	0.0