pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	OCHEM	1	0	C[NH+](C)CCCN=C(c1ccccc1)c1ccccc1Cl,CN(C)CCC[NH+]=C(c1ccccc1)c1ccccc1Cl	CN(C)CCCN=C(c1ccccc1)c1ccccc1Cl	mol32751	CN(C)CCCN=C(c1ccccc1)c1ccccc1Cl
3.46000003814697	QSARToolbox	2	1	C[NH+](C)CCC[NH+]=C(c1ccccc1)c1ccccc1Cl	C[NH+](C)CCCN=C(c1ccccc1)c1ccccc1Cl,CN(C)CCC[NH+]=C(c1ccccc1)c1ccccc1Cl	mol32751	CN(C)CCCN=C(c1ccccc1)c1ccccc1Cl