pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.8400001525879	QSARToolbox	0	-1	CC1(C)OC(=O)[C@@H]([C@H](c2ccc([N+](=O)[O-])cc2)N2CCCCC2)[C@H](O)O1	CC1(C)OC(=O)[C@@H]([C@H](c2ccc([N+](=O)[O-])cc2)N2CCCCC2)[C@H]([O-])O1	mol34919	CC1(C)OC(=O)C(C(c2ccc([N+](=O)[O-])cc2)N2CCCCC2)C(O)O1