pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	QSARToolbox	1	0	CCC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1	CCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)cc1	mol34982	CCC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1