pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.49	IUPAC digitized pKa	0	-1	CNc1cc(O)ncn1	CNc1cc([O-])ncn1	mol4200	CNc1cc(O)ncn1
10.47	AttenGpKa training set	0	-1	CNc1cc(O)ncn1	CNc1cc([O-])ncn1	mol4200	CNc1cc(O)ncn1
1.7	AttenGpKa training set	1	0	C[NH2+]c1cc(O)ncn1,CNc1cc(O)[nH+]cn1,CNc1cc(O)nc[nH+]1	CNc1cc(O)ncn1	mol4200	CNc1cc(O)ncn1