pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.78999996185303	QSARToolbox	0	-1	C=CCC1([C@H](C)CC)C(=O)NC(=O)NC1=O	C=CCC1([C@H](C)CC)C(=O)[N-]C(=O)NC1=O	mol29610	C=CCC1(C(C)CC)C(=O)NC(=O)NC1=O
7.67999982833862	QSARToolbox	0	-1	C=CCC1([C@H](C)CC)C(=O)NC(=O)NC1=O	C=CCC1([C@H](C)CC)C(=O)[N-]C(=O)NC1=O	mol29610	C=CCC1(C(C)CC)C(=O)NC(=O)NC1=O
7.8	AttenGpKa training set	0	-1	C=CCC1([C@H](C)CC)C(=O)NC(=O)NC1=O	C=CCC1([C@H](C)CC)C(=O)[N-]C(=O)NC1=O	mol29610	C=CCC1(C(C)CC)C(=O)NC(=O)NC1=O