pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	Datawarrior	1	0	Cc1cc(O)cc([N+](C)(C)C)c1	Cc1cc([O-])cc([N+](C)(C)C)c1	mol12685	Cc1cc(O)cc([N+](C)(C)C)c1
8.1999998	OCHEM	1	0	Cc1cc(O)cc([N+](C)(C)C)c1	Cc1cc([O-])cc([N+](C)(C)C)c1	mol12685	Cc1cc(O)cc([N+](C)(C)C)c1
8.19999980926514	QSARToolbox	1	0	Cc1cc(O)cc([N+](C)(C)C)c1	Cc1cc([O-])cc([N+](C)(C)C)c1	mol12685	Cc1cc(O)cc([N+](C)(C)C)c1