pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.61	Baltruschat ChEMBL	0	-1	N#C/C(=N\O)C(=O)Nc1ccc([N+](=O)[O-])cc1	N#C/C(=N\[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	mol20997	N#C/C(=N\O)C(=O)Nc1ccc([N+](=O)[O-])cc1