pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.52	Datawarrior	1	0	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCC[NH+]1CCOCC1	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCN1CCOCC1	mol15602	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCN1CCOCC1
7.51999998092651	QSARToolbox	1	0	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCC[NH+]1CCOCC1	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCN1CCOCC1	mol15602	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCN1CCOCC1