pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.2600002288818	QSARToolbox	0	-1	CC(=O)/C(=C(\C)[O-])[C@H](c1ccccc1)[NH+]1CCOCC1,CC(=O)/C(=C(\C)O)[C@H](c1ccccc1)N1CCOCC1	CC(=O)/C(=C(\C)[O-])[C@H](c1ccccc1)N1CCOCC1	mol34687	CC(=O)/C(=C(\C)O)C(c1ccccc1)N1CCOCC1