pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.77	Datawarrior	1	0	CCOC(=O)c1c[nH+]c(N(C)C)s1,CCOC(=O)c1cnc([NH+](C)C)s1	CCOC(=O)c1cnc(N(C)C)s1	mol13883	CCOC(=O)c1cnc(N(C)C)s1
2.76999998092651	QSARToolbox	1	0	CCOC(=O)c1c[nH+]c(N(C)C)s1,CCOC(=O)c1cnc([NH+](C)C)s1	CCOC(=O)c1cnc(N(C)C)s1	mol13883	CCOC(=O)c1cnc(N(C)C)s1