pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.57	Caine	0	-1	CC1C(=O)CCCC1=O	C[C-]1C(=O)CCCC1=O	mol2733	CC1C(=O)CCCC1=O
6.0	AttenGpKa training set	0	-1	CC1C(=O)CCCC1=O	C[C-]1C(=O)CCCC1=O	mol2733	CC1C(=O)CCCC1=O