pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.91000008583069	QSARToolbox	1	0	O=C(O)CCN(CCC(O)=[OH+])c1ccccc1,O=C(O)CC[NH+](CCC(=O)O)c1ccccc1	O=C(O)CCN(CCC(=O)O)c1ccccc1,O=C([O-])CC[NH+](CCC(=O)O)c1ccccc1	mol36112	O=C(O)CCN(CCC(=O)O)c1ccccc1
6.46999979019165	QSARToolbox	-1	-2	O=C([O-])CC[NH+](CCC(=O)[O-])c1ccccc1	O=C([O-])CCN(CCC(=O)[O-])c1ccccc1	mol36112	O=C(O)CCN(CCC(=O)O)c1ccccc1