pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.52	Datawarrior	1	0	Cc1cc(-c2ccccn2)[nH+]n1C,Cc1cc(-c2cccc[nH+]2)nn1C	Cc1cc(-c2ccccn2)nn1C	mol13821	Cc1cc(-c2ccccn2)nn1C
4.51999998092651	QSARToolbox	1	0	Cc1cc(-c2ccccn2)[nH+]n1C,Cc1cc(-c2cccc[nH+]2)nn1C	Cc1cc(-c2ccccn2)nn1C	mol13821	Cc1cc(-c2ccccn2)nn1C
-1.6	Datawarrior	2	1	Cc1cc(-c2cccc[nH+]2)[nH+]n1C	Cc1cc(-c2ccccn2)[nH+]n1C,Cc1cc(-c2cccc[nH+]2)nn1C	mol13821	Cc1cc(-c2ccccn2)nn1C