pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.9	OCHEM	0	-1	CC[NH2+]c1cccc(P(=O)([O-])O)c1	CCNc1cccc(P(=O)([O-])O)c1	mol28965	CCNc1cccc(P(=O)(O)O)c1
4.71	AttenGpKa training set	0	-1	CC[NH2+]c1cccc(P(=O)([O-])O)c1	CCNc1cccc(P(=O)([O-])O)c1	mol28965	CCNc1cccc(P(=O)(O)O)c1
1.1	OCHEM	1	0	CC[NH2+]c1cccc(P(=O)(O)O)c1,CCNc1cccc(P(O)(O)=[OH+])c1	CC[NH2+]c1cccc(P(=O)([O-])O)c1	mol28965	CCNc1cccc(P(=O)(O)O)c1
1.10000002384186	QSARToolbox	1	0	CC[NH2+]c1cccc(P(=O)(O)O)c1,CCNc1cccc(P(O)(O)=[OH+])c1	CC[NH2+]c1cccc(P(=O)([O-])O)c1	mol28965	CCNc1cccc(P(=O)(O)O)c1
7.2	OCHEM	-1	-2	CCNc1cccc(P(=O)([O-])O)c1	CCNc1cccc(P(=O)([O-])[O-])c1	mol28965	CCNc1cccc(P(=O)(O)O)c1
7.24	AttenGpKa training set	-1	-2	CCNc1cccc(P(=O)([O-])O)c1	CCNc1cccc(P(=O)([O-])[O-])c1	mol28965	CCNc1cccc(P(=O)(O)O)c1