pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.31	Baltruschat ChEMBL	1	0	COc1ccc([NH2+][C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1	COc1ccc(N[C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1	mol19497	COc1ccc(NC2Oc3ccccc3C=C2[N+](=O)[O-])cc1