pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.34	Datawarrior	0	-1	CC[C@]1(C)CC(=O)NC1=O	CC[C@]1(C)CC(=O)[N-]C1=O	mol13040	CCC1(C)CC(=O)NC1=O
9.3400002	OCHEM	0	-1	CC[C@]1(C)CC(=O)NC1=O	CC[C@]1(C)CC(=O)[N-]C1=O	mol13040	CCC1(C)CC(=O)NC1=O
9.18	OCHEM	0	-1	CC[C@]1(C)CC(=O)NC1=O	CC[C@]1(C)CC(=O)[N-]C1=O	mol13040	CCC1(C)CC(=O)NC1=O
9.34000015258789	QSARToolbox	0	-1	CC[C@]1(C)CC(=O)NC1=O	CC[C@]1(C)CC(=O)[N-]C1=O	mol13040	CCC1(C)CC(=O)NC1=O
9.5	AttenGpKa training set	0	-1	CC[C@]1(C)CC(=O)NC1=O	CC[C@]1(C)CC(=O)[N-]C1=O	mol13040	CCC1(C)CC(=O)NC1=O