pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.59999990463257	QSARToolbox	1	0	N=C(N)NC(=O)c1nc(Cl)c(Cl)nc1[NH3+],N=C(N)NC(=O)c1[nH+]c(Cl)c(Cl)nc1N,NC(=[NH2+])NC(=O)c1nc(Cl)c(Cl)nc1N,N=C(N)NC(=O)c1nc(Cl)c(Cl)[nH+]c1N	N=C(N)NC(=O)c1nc(Cl)c(Cl)nc1N	mol29656	N=C(N)NC(=O)c1nc(Cl)c(Cl)nc1N
6.6	AttenGpKa training set	1	0	N=C(N)NC(=O)c1nc(Cl)c(Cl)nc1[NH3+],N=C(N)NC(=O)c1[nH+]c(Cl)c(Cl)nc1N,NC(=[NH2+])NC(=O)c1nc(Cl)c(Cl)nc1N,N=C(N)NC(=O)c1nc(Cl)c(Cl)[nH+]c1N	N=C(N)NC(=O)c1nc(Cl)c(Cl)nc1N	mol29656	N=C(N)NC(=O)c1nc(Cl)c(Cl)nc1N