pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.71	Datawarrior	1	0	Cc1c[nH+]c(N)s1,Cc1cnc([NH3+])s1	Cc1cnc(N)s1	mol16029	Cc1cnc(N)s1
5.71000003814697	QSARToolbox	1	0	Cc1c[nH+]c(N)s1,Cc1cnc([NH3+])s1	Cc1cnc(N)s1	mol16029	Cc1cnc(N)s1
5.81	AttenGpKa training set	1	0	Cc1c[nH+]c(N)s1,Cc1cnc([NH3+])s1	Cc1cnc(N)s1	mol16029	Cc1cnc(N)s1