pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.8	Datawarrior	1	0	[NH3+]c1cccc(-c2ccccn2)n1,Nc1cccc(-c2ccccn2)[nH+]1,Nc1cccc(-c2cccc[nH+]2)n1	Nc1cccc(-c2ccccn2)n1	mol13825	Nc1cccc(-c2ccccn2)n1
5.8000002	OCHEM	1	0	[NH3+]c1cccc(-c2ccccn2)n1,Nc1cccc(-c2ccccn2)[nH+]1,Nc1cccc(-c2cccc[nH+]2)n1	Nc1cccc(-c2ccccn2)n1	mol13825	Nc1cccc(-c2ccccn2)n1
5.80000019073486	QSARToolbox	1	0	[NH3+]c1cccc(-c2ccccn2)n1,Nc1cccc(-c2ccccn2)[nH+]1,Nc1cccc(-c2cccc[nH+]2)n1	Nc1cccc(-c2ccccn2)n1	mol13825	Nc1cccc(-c2ccccn2)n1