pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.92000007629395	QSARToolbox	0	-1	CCC1C(=O)NC(=O)NC1=O	CC[c-]1c(=O)[nH]c(=O)[nH]c1=O,CCC1C(=O)[N-]C(=O)NC1=O	mol29517	CCC1C(=O)NC(=O)NC1=O
4.21	AttenGpKa training set	0	-1	CCC1C(=O)NC(=O)NC1=O	CC[c-]1c(=O)[nH]c(=O)[nH]c1=O,CCC1C(=O)[N-]C(=O)NC1=O	mol29517	CCC1C(=O)NC(=O)NC1=O
12.8000001907349	QSARToolbox	-1	-2	CC[c-]1c(=O)[nH]c(=O)[nH]c1=O,CCC1C(=O)[N-]C(=O)NC1=O	CC[c-]1c(=O)[n-]c(=O)[nH]c1=O,CCC1C(=O)[N-]C(=O)[N-]C1=O	mol29517	CCC1C(=O)NC(=O)NC1=O