pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.77	AttenGpKa training set	0	-1	COc1cc(C(=O)O)c(OC)c([N+](=O)[O-])c1	COc1cc(C(=O)[O-])c(OC)c([N+](=O)[O-])c1	mol23001	COc1cc(C(=O)O)c(OC)c([N+](=O)[O-])c1