pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3000002	OCHEM	1	0	C[NH+](C)CCCN=C(c1ccccc1)c1ccccc1O,CN(C)CCC[NH+]=C(c1ccccc1)c1ccccc1O	C[NH+](C)CCCN=C(c1ccccc1)c1ccccc1[O-],CN(C)CCCN=C(c1ccccc1)c1ccccc1O,CN(C)CCC[NH+]=C(c1ccccc1)c1ccccc1[O-]	mol32753	CN(C)CCCN=C(c1ccccc1)c1ccccc1O
3.30999994277954	QSARToolbox	2	1	C[NH+](C)CCC[NH+]=C(c1ccccc1)c1ccccc1O	C[NH+](C)CCCN=C(c1ccccc1)c1ccccc1O,CN(C)CCC[NH+]=C(c1ccccc1)c1ccccc1O	mol32753	CN(C)CCCN=C(c1ccccc1)c1ccccc1O