pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-3.28	IUPAC digitized pKa	1	0	c1ccc(C2=[NH+]O[C@@H](c3ccccc3)C2)cc1	c1ccc(C2=NO[C@@H](c3ccccc3)C2)cc1	mol6727	c1ccc(C2=NOC(c3ccccc3)C2)cc1
-2.62	AttenGpKa training set	1	0	c1ccc(C2=[NH+]O[C@@H](c3ccccc3)C2)cc1	c1ccc(C2=NO[C@@H](c3ccccc3)C2)cc1	mol6727	c1ccc(C2=NOC(c3ccccc3)C2)cc1