pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.57	Datawarrior	1	0	Nc1c[nH][nH+]c1,[NH3+]c1cn[nH]c1	Nc1cn[nH]c1	mol15844	Nc1cn[nH]c1
5.5700002	OCHEM	1	0	Nc1c[nH][nH+]c1,[NH3+]c1cn[nH]c1	Nc1cn[nH]c1	mol15844	Nc1cn[nH]c1
5.57000017166138	QSARToolbox	1	0	Nc1c[nH][nH+]c1,[NH3+]c1cn[nH]c1	Nc1cn[nH]c1	mol15844	Nc1cn[nH]c1
3.0	AttenGpKa training set	1	0	Nc1c[nH][nH+]c1,[NH3+]c1cn[nH]c1	Nc1cn[nH]c1	mol15844	Nc1cn[nH]c1