pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.72	IUPAC digitized pKa	0	-1	Oc1ccn(-c2ccccc2)n1	[O-]c1ccn(-c2ccccc2)n1	mol6903	Oc1ccn(-c2ccccc2)n1
7.54	AttenGpKa training set	0	-1	Oc1ccn(-c2ccccc2)n1	[O-]c1ccn(-c2ccccc2)n1	mol6903	Oc1ccn(-c2ccccc2)n1
0.46	IUPAC digitized pKa	1	0	Oc1ccn(-c2ccccc2)[nH+]1	Oc1ccn(-c2ccccc2)n1	mol6903	Oc1ccn(-c2ccccc2)n1