Index	SMILES	Probability	Label
Compound_1	CCCCCCCC/C=C\CCCCCCCC(=O)OCC1OC(O)C(C(C(C1OCC1OC(O)C(C(C(C1O)O)O)O)O)O)O	0.65	1.0
Compound_2	CCCCCCCCCC1CCC(CC1)O	0.89	1.0
Compound_3	CCCCCCCCCCCCc1ccc(cc1)CO	0.98	1.0
Compound_4	CCCCCCC1COC(O1)c1ccc(c(c1)OC)O	0.74	1.0
Compound_5	CCCCCCCC/C=C\CCCCCC(=O)O	0.6	1.0
Compound_6	CCCCCCCCCCC(CS(=O)(=O)O)O	0.14	0.0
Compound_7	CCCCCCCCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.25	0.0
Compound_8	CCCCCCCC1N(CCO)C=CN1CCC(=O)[O-]	0.01	0.0
Compound_9	CCCCC(CO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)CC	0.68	1.0
Compound_10	CCCCCCCCCCC=CCCCCCCCC(=O)O	0.6	1.0
Compound_11	CC(c1ccccc1S(=O)(=O)[O-])C	0.61	1.0
Compound_12	CCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_13	Cc1ccc(c(c1)C)S(=O)(=O)[O-]	0.35	0.0
Compound_14	CC(c1ccc(cc1)S(=O)(=O)[O-])C	0.52	1.0
Compound_15	CCCCC(CN(CCC(=O)O)CCC(=O)[O-])CC	0.01	0.0
Compound_16	CCCCCCCCCCOCCCN(CCC(=O)O)CCC(=O)[O-]	0.04	0.0
Compound_17	CCCCCCCCOCCCN(CCC(=O)O)CCC(=O)[O-]	0.04	0.0
Compound_18	CCCCOC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.59	1.0
Compound_19	Cc1cccc(c1C)S(=O)(=O)[O-]	0.42	0.0
Compound_20	Fc1cccc2c1OCC=CCCN1CN(C2c2ccccc2)n2ccc(=O)c(c2C1=O)O	0.01	0.0
Compound_21	CCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_22	CCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_23	CCCCCCCCCCOC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.71	1.0
Compound_24	CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.71	1.0
Compound_25	CCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-]	0.82	1.0
Compound_26	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(CCO)C	0.22	0.0
Compound_27	CCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_28	CCCCCCCCCCC=CS(=O)(=O)[O-]	0.81	1.0
Compound_29	CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.71	1.0
Compound_30	CCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCC)(C)C	0.23	0.0
Compound_31	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(C)C	0.23	0.0
Compound_32	CCCCCCCCCCCC(=O)N(CC(=O)[O-])C	0.22	0.0
Compound_33	CCCCCCCCCCCCCCCCCC(=O)O	0.89	1.0
Compound_34	CCCCCCOC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.68	1.0
Compound_35	CCCCCCCCCCCCOC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.71	1.0
Compound_36	CCCCCCCCCCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.21	0.0
Compound_37	CCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_38	CCCCCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_39	CCCCCCCCCCCCCCOCCO	0.98	1.0
Compound_40	CCCCCCCC(=O)[O-]	0.68	1.0