pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1999998092651	QSARToolbox	0	-1	CCOC(=O)CC#N	CCOC(=O)[CH-]C#N	mol27407	CCOC(=O)CC#N
10.1700000762939	QSARToolbox	0	-1	CCOC(=O)CC#N	CCOC(=O)[CH-]C#N	mol27407	CCOC(=O)CC#N
10.6300001144409	QSARToolbox	0	-1	CCOC(=O)CC#N	CCOC(=O)[CH-]C#N	mol27407	CCOC(=O)CC#N
10.8299999237061	QSARToolbox	0	-1	CCOC(=O)CC#N	CCOC(=O)[CH-]C#N	mol27407	CCOC(=O)CC#N
10.785	AttenGpKa training set	0	-1	CCOC(=O)CC#N	CCOC(=O)[CH-]C#N	mol27407	CCOC(=O)CC#N