pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.98999977111816	QSARToolbox	0	-1	CCCCCC[NH+]=Cc1c(COP(=O)([O-])O)cnc(C)c1O,CCCCCCN=Cc1c(COP(=O)([O-])O)c[nH+]c(C)c1O	CCCCCCN=Cc1c(COP(=O)([O-])[O-])c[nH+]c(C)c1O,CCCCCC[NH+]=Cc1c(COP(=O)([O-])[O-])cnc(C)c1O,CCCCCCN=Cc1c(COP(=O)([O-])O)cnc(C)c1O	mol35372	CCCCCCN=Cc1c(COP(=O)(O)O)cnc(C)c1O
6.90999984741211	QSARToolbox	0	-1	CCCCCC[NH+]=Cc1c(COP(=O)([O-])O)cnc(C)c1O,CCCCCCN=Cc1c(COP(=O)([O-])O)c[nH+]c(C)c1O	CCCCCCN=Cc1c(COP(=O)([O-])[O-])c[nH+]c(C)c1O,CCCCCC[NH+]=Cc1c(COP(=O)([O-])[O-])cnc(C)c1O,CCCCCCN=Cc1c(COP(=O)([O-])O)cnc(C)c1O	mol35372	CCCCCCN=Cc1c(COP(=O)(O)O)cnc(C)c1O