pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.91	Datawarrior	0	-1	O=C(CC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1	O=C([CH-]C(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1,O=C(CC(=O)c1ccccc1)[N-]c1ccc([N+](=O)[O-])cc1	mol15384	O=C(CC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1
8.9099998	OCHEM	0	-1	O=C(CC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1	O=C([CH-]C(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1,O=C(CC(=O)c1ccccc1)[N-]c1ccc([N+](=O)[O-])cc1	mol15384	O=C(CC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1