pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.65000009536743	QSARToolbox	1	0	CCOC(=O)c1ccc([NH2+]N)cc1,CCOC(=O)c1ccc(N[NH3+])cc1	CCOC(=O)c1ccc(NN)cc1	mol8845	CCOC(=O)c1ccc(NN)cc1
4.65	AttenGpKa training set	1	0	CCOC(=O)c1ccc([NH2+]N)cc1,CCOC(=O)c1ccc(N[NH3+])cc1	CCOC(=O)c1ccc(NN)cc1	mol8845	CCOC(=O)c1ccc(NN)cc1