pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.19	Datawarrior	1	0	Nc1cccn[nH+]1,Nc1ccc[nH+]n1,[NH3+]c1cccnn1	Nc1cccnn1	mol4016	Nc1cccnn1
5.1900001	OCHEM	1	0	Nc1cccn[nH+]1,Nc1ccc[nH+]n1,[NH3+]c1cccnn1	Nc1cccnn1	mol4016	Nc1cccnn1
5.19000005722046	QSARToolbox	1	0	Nc1cccn[nH+]1,Nc1ccc[nH+]n1,[NH3+]c1cccnn1	Nc1cccnn1	mol4016	Nc1cccnn1