pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.96000003814697	QSARToolbox	1	0	Nc1nc(-c2cccc[nH+]2)cs1,[NH3+]c1nc(-c2ccccn2)cs1,Nc1[nH+]c(-c2ccccn2)cs1	Nc1nc(-c2ccccn2)cs1	mol35712	Nc1nc(-c2ccccn2)cs1