pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.66	IUPAC digitized pKa	0	-1	Oc1nc2cc3ccccc3cc2[nH]1	Oc1nc2cc3ccccc3cc2[n-]1,[O-]c1nc2cc3ccccc3cc2[nH]1	mol5061	Oc1nc2cc3ccccc3cc2[nH]1
11.62	IUPAC digitized pKa	0	-1	Oc1nc2cc3ccccc3cc2[nH]1	Oc1nc2cc3ccccc3cc2[n-]1,[O-]c1nc2cc3ccccc3cc2[nH]1	mol5061	Oc1nc2cc3ccccc3cc2[nH]1
11.47	AttenGpKa training set	0	-1	Oc1nc2cc3ccccc3cc2[nH]1	Oc1nc2cc3ccccc3cc2[n-]1,[O-]c1nc2cc3ccccc3cc2[nH]1	mol5061	Oc1nc2cc3ccccc3cc2[nH]1