pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	IUPAC digitized pKa	1	0	CNc1ccn(C)c(=O)[nH+]1,C[NH2+]c1ccn(C)c(=O)n1	CNc1ccn(C)c(=O)n1	mol4161	CNc1ccn(C)c(=O)n1
4.47	Datawarrior	1	0	CNc1ccn(C)c(=O)[nH+]1,C[NH2+]c1ccn(C)c(=O)n1	CNc1ccn(C)c(=O)n1	mol4161	CNc1ccn(C)c(=O)n1
4.4699998	OCHEM	1	0	CNc1ccn(C)c(=O)[nH+]1,C[NH2+]c1ccn(C)c(=O)n1	CNc1ccn(C)c(=O)n1	mol4161	CNc1ccn(C)c(=O)n1