pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.44999980926514	QSARToolbox	1	0	NC(=[NH2+])NC(=O)c1nc(Cl)c(O)nc1N,N=C(N)NC(=O)c1nc(Cl)c(O)nc1[NH3+]	NC(=[NH2+])NC(=O)c1nc(Cl)c([O-])nc1N,N=C(N)NC(=O)c1nc(Cl)c(O)nc1N	mol29624	N=C(N)NC(=O)c1nc(Cl)c(O)nc1N
5.45	AttenGpKa training set	1	0	NC(=[NH2+])NC(=O)c1nc(Cl)c(O)nc1N,N=C(N)NC(=O)c1nc(Cl)c(O)nc1[NH3+]	NC(=[NH2+])NC(=O)c1nc(Cl)c([O-])nc1N,N=C(N)NC(=O)c1nc(Cl)c(O)nc1N	mol29624	N=C(N)NC(=O)c1nc(Cl)c(O)nc1N