pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.35	OCHEM	1	0	N=C(N)NC(=O)c1nc(Cl)c([NH3+])nc1N,NC(=[NH2+])NC(=O)c1nc(Cl)c(N)nc1N,N=C(N)NC(=O)c1nc(Cl)c(N)[nH+]c1N,N=C(N)NC(=O)c1nc(Cl)c(N)nc1[NH3+],N=C(N)NC(=O)c1[nH+]c(Cl)c(N)nc1N	N=C(N)NC(=O)c1nc(Cl)c(N)nc1N	mol16403	N=C(N)NC(=O)c1nc(Cl)c(N)nc1N
8.6	OCHEM	1	0	N=C(N)NC(=O)c1nc(Cl)c([NH3+])nc1N,NC(=[NH2+])NC(=O)c1nc(Cl)c(N)nc1N,N=C(N)NC(=O)c1nc(Cl)c(N)[nH+]c1N,N=C(N)NC(=O)c1nc(Cl)c(N)nc1[NH3+],N=C(N)NC(=O)c1[nH+]c(Cl)c(N)nc1N	N=C(N)NC(=O)c1nc(Cl)c(N)nc1N	mol16403	N=C(N)NC(=O)c1nc(Cl)c(N)nc1N
8.8	Baltruschat ChEMBL	1	0	N=C(N)NC(=O)c1nc(Cl)c([NH3+])nc1N,NC(=[NH2+])NC(=O)c1nc(Cl)c(N)nc1N,N=C(N)NC(=O)c1nc(Cl)c(N)[nH+]c1N,N=C(N)NC(=O)c1nc(Cl)c(N)nc1[NH3+],N=C(N)NC(=O)c1[nH+]c(Cl)c(N)nc1N	N=C(N)NC(=O)c1nc(Cl)c(N)nc1N	mol16403	N=C(N)NC(=O)c1nc(Cl)c(N)nc1N
8.7	Baltruschat ChEMBL	1	0	N=C(N)NC(=O)c1nc(Cl)c([NH3+])nc1N,NC(=[NH2+])NC(=O)c1nc(Cl)c(N)nc1N,N=C(N)NC(=O)c1nc(Cl)c(N)[nH+]c1N,N=C(N)NC(=O)c1nc(Cl)c(N)nc1[NH3+],N=C(N)NC(=O)c1[nH+]c(Cl)c(N)nc1N	N=C(N)NC(=O)c1nc(Cl)c(N)nc1N	mol16403	N=C(N)NC(=O)c1nc(Cl)c(N)nc1N
8.65	Baltruschat ChEMBL	1	0	N=C(N)NC(=O)c1nc(Cl)c([NH3+])nc1N,NC(=[NH2+])NC(=O)c1nc(Cl)c(N)nc1N,N=C(N)NC(=O)c1nc(Cl)c(N)[nH+]c1N,N=C(N)NC(=O)c1nc(Cl)c(N)nc1[NH3+],N=C(N)NC(=O)c1[nH+]c(Cl)c(N)nc1N	N=C(N)NC(=O)c1nc(Cl)c(N)nc1N	mol16403	N=C(N)NC(=O)c1nc(Cl)c(N)nc1N
8.69999980926514	QSARToolbox	1	0	N=C(N)NC(=O)c1nc(Cl)c([NH3+])nc1N,NC(=[NH2+])NC(=O)c1nc(Cl)c(N)nc1N,N=C(N)NC(=O)c1nc(Cl)c(N)[nH+]c1N,N=C(N)NC(=O)c1nc(Cl)c(N)nc1[NH3+],N=C(N)NC(=O)c1[nH+]c(Cl)c(N)nc1N	N=C(N)NC(=O)c1nc(Cl)c(N)nc1N	mol16403	N=C(N)NC(=O)c1nc(Cl)c(N)nc1N