pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.33000004291534	QSARToolbox	1	0	O=C(O)Cn1cc[n+](CC(=O)O)c1	O=C([O-])C[n+]1ccn(CC(=O)O)c1,O=C([O-])Cn1cc[n+](CC(=O)O)c1	mol37036	O=C(O)Cn1cc[n+](CC(=O)O)c1
1.44000005722046	QSARToolbox	1	0	O=C(O)Cn1cc[n+](CC(=O)O)c1	O=C([O-])C[n+]1ccn(CC(=O)O)c1,O=C([O-])Cn1cc[n+](CC(=O)O)c1	mol37036	O=C(O)Cn1cc[n+](CC(=O)O)c1