pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.26	Datawarrior	0	-1	CC(C)(/C=C/C(=O)O)c1cc([N+](=O)[O-])ccc1O	CC(C)(/C=C/C(=O)[O-])c1cc([N+](=O)[O-])ccc1O	mol14877	CC(C)(/C=C/C(=O)O)c1cc([N+](=O)[O-])ccc1O
7.24	Datawarrior	-1	-2	CC(C)(/C=C/C(=O)[O-])c1cc([N+](=O)[O-])ccc1O	CC(C)(/C=C/C(=O)[O-])c1cc([N+](=O)[O-])ccc1[O-]	mol14877	CC(C)(/C=C/C(=O)O)c1cc([N+](=O)[O-])ccc1O