Index	SMILES	Probability	Label
Compound_1	CCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_2	CCCCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_3	CCCCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_4	CCCCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_5	CCCCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_6	CCCCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_7	CCCCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_8	CCCCCCCCCCCCc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.28	0.0
Compound_9	CCCCCCCCCCCOCCOCCS(=O)(=O)[O-]	0.63	1.0
Compound_10	CCCCCCCCCCCOCCS(=O)(=O)[O-]	0.66	1.0
Compound_11	CCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_12	CCCCCCCCCCOC(=O)CS(=O)(=O)[O-]	0.68	1.0
Compound_13	CCCCCCCCCCOCCS(=O)(=O)[O-]	0.66	1.0
Compound_14	CCCCCCCCCCc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.28	0.0
Compound_15	CCCCCCCCCOCCS(=O)(=O)[O-]	0.66	1.0
Compound_16	CCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_17	CCCCCCCCCc1ccc(cc1)OS(=O)[O-]	0.26	0.0
Compound_18	CCCCCCCCOC(=O)CC(S(=O)(=O)[O-])C(=O)OCCCCCCCC	0.56	1.0
Compound_19	CCCCCCCCOC(=O)CS(=O)(=O)[O-]	0.68	1.0
Compound_20	CCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_21	CCCCCCCCc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.28	0.0
Compound_22	CCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.49	0.0
Compound_23	CCCCCCCOS(=O)(=O)[O-]	0.8	1.0
Compound_24	CCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.41	0.0
Compound_25	CCCCCCOC(=O)CC(S(=O)(=O)[O-])C(=O)OCCCCCC	0.58	1.0
Compound_26	CCCCCCOC(=O)CS(=O)(=O)[O-]	0.64	1.0
Compound_27	CCCCCCOS(=O)(=O)[O-]	0.8	1.0
Compound_28	CCCCCCS(=O)(=O)[O-]	0.21	0.0
Compound_29	CCCCCOC(=O)CC(S(=O)(=O)[O-])C(=O)OCCCCC	0.58	1.0
Compound_30	CCCCCc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.27	0.0
Compound_31	CCCCOC(=O)CC(S(=O)(=O)[O-])C(=O)OCCCC	0.59	1.0
Compound_32	FC(C(C(C(C(C(F)(F)F)(C(F)(F)F)C(=O)[O-])(F)F)(F)F)(F)F)F	0.93	1.0
Compound_33	[O-]C(=O)C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F	0.96	1.0
Compound_34	[O-]C(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_35	[O-]C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_36	[O-]C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_37	[O-]C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_38	[O-]C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_39	[O-]C(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_40	[O-]C(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_41	[O-]C(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_42	FC(C(C(C(C(S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_43	CCCCCCCCCCCC[N+](CCOC(=O)C=C)(C)C	0.64	1.0
Compound_44	CCCCCCCCCCCCCC[N+](CCOC(=O)C=C)(C)C	0.64	1.0
Compound_45	CCCCCCCCCCCCCCCC[N+](CCOC(=O)C=C)(C)C	0.64	1.0
Compound_46	CCCCCCCCCCCC[N+](CC=C)(C)C	0.62	1.0
Compound_47	CCCCCCCCCCCCCCCC[N+](CC=C)(C)C	0.62	1.0
Compound_48	CCCCCCCCCCCCCCCCCC[N+](CC=C)(C)C	0.62	1.0
Compound_49	CCCCCCCCCC[N+](CCCN=CCCC)(C)C	0.36	0.0
Compound_50	CCCCCCCCCCCC[N+](CCCN=CCCC)(C)C	0.36	0.0
Compound_51	CCCCCCCCCCCCCCCC[N+](CCCN=CCCC)(C)C	0.36	0.0
Compound_52	CCCCCCC1(CCCCCC)OCC(O1)C[N+](C)(C)C	0.13	0.0
Compound_53	CCCCCCCCC(C[N+](C)(C)C)CCCCCC	0.6	1.0
Compound_54	OCC[N+](CC(CCCCCCCC)CCCCCCCC)(C)C	0.37	0.0
Compound_55	CCCCCCCCC1(C)OCC(O1)C[N+](C)(C)C	0.14	0.0
Compound_56	CCCCCCCCC1OCC(O1)C[N+](C)(C)C	0.16	0.0
Compound_57	CCCCCCCCCC(=O)NC(C(=O)OC)CCCNC([N+])N	0.12	0.0
Compound_58	CCCCCCCCCC1OCC(O1)C[N+](C)(C)C	0.16	0.0
Compound_59	CCCCCCCCCCC(=O)NCC[N+](Cc1ccccc1)(C)C	0.05	0.0
Compound_60	CCCCCCCCCCC(Cn1cc[n+](c1)CCO)O	0.35	0.0
Compound_61	CCCCCCCCCCC(Cn1cc[n+](c1)CCO)O	0.35	0.0
Compound_62	CCCCCCCCCCC1(C)OCC(O1)C[N+](C)(C)C	0.14	0.0
Compound_63	CCCCCCCCCCC1OCC(O1)C[N+](C)(C)C	0.16	0.0
Compound_64	CCCCCCCCCCCC(=O)NC(C(=O)OC)CCCNC([N+])N	0.12	0.0
Compound_65	CCCCCCCCCCCC(=O)NCCC[N+](CC(CO)O)(C)C	0.02	0.0
Compound_66	CCCCCCCCCCCC(=O)NCCC[N+](Cc1ccccc1)(C)C	0.05	0.0
Compound_67	CCCCCCCCCCCC(=O)Oc1cccc2c1[n+](CCCCCCCCCC)ccc2	0.34	0.0
Compound_68	CCCCCCCCCCCC1OCC(O1)C[N+](C)(C)C	0.16	0.0
Compound_69	CCCCCCCCCCCCC(=O)NCC[N+](C)(C)C	0.06	0.0
Compound_70	CCCCCCCCCCCCC(=O)NCC[N+](Cc1ccccc1)(C)C	0.05	0.0