Index	SMILES	Probability	Label
Compound_1	CCCCCCCC1=NCCN1CCOCCC(=O)[O-]	0.06	0.0
Compound_2	CCCCCC/C=C\CCCCCCCC(=O)[O-]	0.89	1.0
Compound_3	CCCCCCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OC	0.42	0.0
Compound_4	CCCCCCCCS(=O)(=O)O	0.28	0.0
Compound_5	CCCCCCCCCCCCOCCOS(=O)(=O)[O-]	0.82	1.0
Compound_6	CCCCC(COS(=O)(=O)O)CC	0.55	1.0
Compound_7	CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-]	0.02	0.0
Compound_8	CCCCCCCCCCCC(=O)N[C@H](C(=O)[O-])CCC(=O)O	0.02	0.0
Compound_9	CCCCCCCCCCCC(=O)OC(C(=O)OC(C(=O)[O-])C)C	0.21	0.0
Compound_10	CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]	0.68	1.0
Compound_11	CCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-]	0.68	1.0
Compound_12	CCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-]	0.82	1.0
Compound_13	CCCCCCCCCCCCCC(=O)N(CC(=O)[O-])C	0.32	0.0
Compound_14	CCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_15	CCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-]	0.82	1.0
Compound_16	Cc1ccc(cc1)S(=O)(=O)[O-]	0.62	1.0
Compound_17	CCCCCCCCCCCc1cccc(c1)S(=O)(=O)[O-]	0.66	1.0
Compound_18	Cc1ccc(cc1C)S(=O)(=O)[O-]	0.38	0.0
Compound_19	CCCCCCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O	0.62	1.0
Compound_20	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O	0.66	1.0
Compound_21	CCCCCCCCCCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O	0.62	1.0
Compound_22	CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O	0.62	1.0
Compound_23	CCCCCCCC/C=C\CCCCCCCC(=O)O	0.95	1.0
Compound_24	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1OC(=O)CCCCCCC/C=C\CCCCCCCC)O)OC(=O)CCCCCCC/C=C\CCCCCCCC	0.23	0.0
Compound_25	CCCCCCCCCCCOC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.71	1.0
Compound_26	CCCCCCCC/C=C\CCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.53	1.0
Compound_27	CCCCCCCCC=CCCCCCCCC(=O)O	0.59	1.0
Compound_28	CCCCCCCCCCC(S(=O)(=O)[O-])C(=O)[O-]	0.34	0.0
Compound_29	CCCCCCCCCCCCC(S(=O)(=O)[O-])C(=O)[O-]	0.34	0.0
Compound_30	CCCCCCCC(O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)CC(=O)OC(CC(=O)O)CCCCCCC	0.44	0.0
Compound_31	CCCCCCCC(O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)CC(=O)OC(CC(=O)O)CCCCCCC	0.25	0.0
Compound_32	CCCCCCCCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OC	0.42	0.0
Compound_33	CCCCCCCCC(=O)Oc1ccccc1S(=O)(=O)[O-]	0.43	0.0