pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.52	Baltruschat ChEMBL	1	0	COc1ccccc1[NH2+][C@@H]1Oc2ccccc2C=C1[N+](=O)[O-]	COc1ccccc1N[C@@H]1Oc2ccccc2C=C1[N+](=O)[O-]	mol19493	COc1ccccc1NC1Oc2ccccc2C=C1[N+](=O)[O-]