pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.3	Baltruschat ChEMBL	-1	-2	[NH3+]CCc1cc([O-])c([O-])cc1O,[NH3+]CCc1cc([O-])c(O)cc1[O-]	[NH3+]CCc1cc([O-])c([O-])cc1[O-]	mol16562	NCCc1cc(O)c(O)cc1O