pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.46	IUPAC digitized pKa	1	0	Cc1ncc(C=O)c(N)[nH+]1,Cc1ncc(C=O)c([NH3+])n1,Cc1nc(N)c(C=O)c[nH+]1	Cc1ncc(C=O)c(N)n1	mol7070	Cc1ncc(C=O)c(N)n1
4.46000003814697	QSARToolbox	1	0	Cc1ncc(C=O)c(N)[nH+]1,Cc1ncc(C=O)c([NH3+])n1,Cc1nc(N)c(C=O)c[nH+]1	Cc1ncc(C=O)c(N)n1	mol7070	Cc1ncc(C=O)c(N)n1