pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.67	Datawarrior	1	0	Cc1cc(C#N)cc[n+]1O	Cc1cc(C#N)cc[n+]1[O-]	mol13002	Cc1cc(C#N)cc[n+]1O
-0.67000002	OCHEM	1	0	Cc1cc(C#N)cc[n+]1O	Cc1cc(C#N)cc[n+]1[O-]	mol13002	Cc1cc(C#N)cc[n+]1O