pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1999998	OCHEM	1	0	CN(C)CCC[NH+]=C(c1ccccc1)c1ccccc1-c1ccccc1,C[NH+](C)CCCN=C(c1ccccc1)c1ccccc1-c1ccccc1	CN(C)CCCN=C(c1ccccc1)c1ccccc1-c1ccccc1	mol32757	CN(C)CCCN=C(c1ccccc1)c1ccccc1-c1ccccc1
4.42999982833862	QSARToolbox	2	1	C[NH+](C)CCC[NH+]=C(c1ccccc1)c1ccccc1-c1ccccc1	CN(C)CCC[NH+]=C(c1ccccc1)c1ccccc1-c1ccccc1,C[NH+](C)CCCN=C(c1ccccc1)c1ccccc1-c1ccccc1	mol32757	CN(C)CCCN=C(c1ccccc1)c1ccccc1-c1ccccc1