pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	Baltruschat ChEMBL	1	0	C[N+](C)(C)Cc1ccc(S)cc1	C[N+](C)(C)Cc1ccc([S-])cc1	mol18006	C[N+](C)(C)Cc1ccc(S)cc1