pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.78	IUPAC digitized pKa	1	0	Cn1c[nH+]c(-c2ccccc2)c1	Cn1cnc(-c2ccccc2)c1	mol3918	Cn1cnc(-c2ccccc2)c1
5.78800010681152	QSARToolbox	1	0	Cn1c[nH+]c(-c2ccccc2)c1	Cn1cnc(-c2ccccc2)c1	mol3918	Cn1cnc(-c2ccccc2)c1
