pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.98	Datawarrior	1	0	O=C(C[NH+]1CCOCC1)NCc1ccccc1	O=C(CN1CCOCC1)NCc1ccccc1	mol15153	O=C(CN1CCOCC1)NCc1ccccc1
4.98000001907349	QSARToolbox	1	0	O=C(C[NH+]1CCOCC1)NCc1ccccc1	O=C(CN1CCOCC1)NCc1ccccc1	mol15153	O=C(CN1CCOCC1)NCc1ccccc1