pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.61999988555908	QSARToolbox	0	-1	[NH3+]c1ncnc2c1ccn2CCOCP(=O)([O-])O,Nc1nc[nH+]c2c1ccn2CCOCP(=O)([O-])O,Nc1[nH+]cnc2c1ccn2CCOCP(=O)([O-])O	Nc1ncnc2c1ccn2CCOCP(=O)([O-])O,Nc1nc[nH+]c2c1ccn2CCOCP(=O)([O-])[O-],[NH3+]c1ncnc2c1ccn2CCOCP(=O)([O-])[O-],Nc1[nH+]cnc2c1ccn2CCOCP(=O)([O-])[O-]	mol38225	Nc1ncnc2c1ccn2CCOCP(=O)(O)O