pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.09999990463257	QSARToolbox	1	0	O=C(NCc1ccccc1)[C@@H]1CCC(=O)N1C[NH+]1CCOCC1	O=C(NCc1ccccc1)[C@@H]1CCC(=O)N1CN1CCOCC1	mol38104	O=C(NCc1ccccc1)[C@@H]1CCC(=O)N1CN1CCOCC1