pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.71	Datawarrior	1	0	O=C(C[NH+]1CCCCC1)NCc1ccccc1	O=C(CN1CCCCC1)NCc1ccccc1	mol15159	O=C(CN1CCCCC1)NCc1ccccc1
7.71000003814697	QSARToolbox	1	0	O=C(C[NH+]1CCCCC1)NCc1ccccc1	O=C(CN1CCCCC1)NCc1ccccc1	mol15159	O=C(CN1CCCCC1)NCc1ccccc1