pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.0	QSARToolbox	1	0	Cc1cccnc1[NH2+]C(P(=O)(O)O)P(=O)(O)O,Cc1ccc[nH+]c1NC(P(=O)(O)O)P(=O)(O)O	Cc1cccnc1[NH2+]C(P(=O)([O-])O)P(=O)(O)O,Cc1ccc[nH+]c1NC(P(=O)([O-])O)P(=O)(O)O	mol34119	Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O
5.30000019073486	QSARToolbox	-1	-2	Cc1cccnc1[NH2+]C(P(=O)([O-])[O-])P(=O)(O)O,Cc1cccnc1NC(P(=O)([O-])O)P(=O)(O)O,Cc1cccnc1[NH2+]C(P(=O)([O-])O)P(=O)([O-])O,Cc1ccc[nH+]c1NC(P(=O)([O-])O)P(=O)([O-])O,Cc1ccc[nH+]c1NC(P(=O)([O-])[O-])P(=O)(O)O	Cc1cccnc1[NH2+]C(P(=O)([O-])[O-])P(=O)([O-])O,Cc1ccc[nH+]c1NC(P(=O)([O-])[O-])P(=O)([O-])O	mol34119	Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O