pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.91	Datawarrior	1	0	C[n+]1ccc(O)nc1	C[n+]1ccc([O-])nc1	mol12390	C[n+]1ccc(O)nc1
1.8	AttenGpKa training set	1	0	C[n+]1ccc(O)nc1	C[n+]1ccc([O-])nc1	mol12390	C[n+]1ccc(O)nc1