pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.98	Datawarrior	0	-1	COC(=O)CC(=O)c1cccnc1	COC(=O)[CH-]C(=O)c1cccnc1	mol13960	COC(=O)CC(=O)c1cccnc1
8.9799995	OCHEM	0	-1	COC(=O)CC(=O)c1cccnc1	COC(=O)[CH-]C(=O)c1cccnc1	mol13960	COC(=O)CC(=O)c1cccnc1
8.97999954223633	QSARToolbox	0	-1	COC(=O)CC(=O)c1cccnc1	COC(=O)[CH-]C(=O)c1cccnc1	mol13960	COC(=O)CC(=O)c1cccnc1