pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.30000019073486	QSARToolbox	1	0	N=C(N)NC(=O)c1ncc(N)[nH+]c1N,N=C(N)NC(=O)c1ncc(N)nc1[NH3+],N=C(N)NC(=O)c1ncc([NH3+])nc1N,NC(=[NH2+])NC(=O)c1ncc(N)nc1N	N=C(N)NC(=O)c1ncc(N)nc1N	mol29568	N=C(N)NC(=O)c1ncc(N)nc1N
9.3	AttenGpKa training set	1	0	N=C(N)NC(=O)c1ncc(N)[nH+]c1N,N=C(N)NC(=O)c1ncc(N)nc1[NH3+],N=C(N)NC(=O)c1ncc([NH3+])nc1N,NC(=[NH2+])NC(=O)c1ncc(N)nc1N	N=C(N)NC(=O)c1ncc(N)nc1N	mol29568	N=C(N)NC(=O)c1ncc(N)nc1N