pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.24	Datawarrior	0	-1	COC(=O)CC(=O)c1ccncc1	COC(=O)[CH-]C(=O)c1ccncc1	mol13957	COC(=O)CC(=O)c1ccncc1
8.2399998	OCHEM	0	-1	COC(=O)CC(=O)c1ccncc1	COC(=O)[CH-]C(=O)c1ccncc1	mol13957	COC(=O)CC(=O)c1ccncc1
8.23999977111816	QSARToolbox	0	-1	COC(=O)CC(=O)c1ccncc1	COC(=O)[CH-]C(=O)c1ccncc1	mol13957	COC(=O)CC(=O)c1ccncc1