pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	Datawarrior	0	-1	CC[NH+]1CCC[C@H]1CNC(=O)c1c([O-])cccc1OC,CCN1CCC[C@H]1CNC(=O)c1c(O)cccc1OC	CCN1CCC[C@H]1CNC(=O)c1c([O-])cccc1OC	mol14745	CCN1CCCC1CNC(=O)c1c(O)cccc1OC
9.54	Datawarrior	0	-1	CC[NH+]1CCC[C@H]1CNC(=O)c1c([O-])cccc1OC,CCN1CCC[C@H]1CNC(=O)c1c(O)cccc1OC	CCN1CCC[C@H]1CNC(=O)c1c([O-])cccc1OC	mol14745	CCN1CCCC1CNC(=O)c1c(O)cccc1OC
8.6999998	OCHEM	0	-1	CC[NH+]1CCC[C@H]1CNC(=O)c1c([O-])cccc1OC,CCN1CCC[C@H]1CNC(=O)c1c(O)cccc1OC	CCN1CCC[C@H]1CNC(=O)c1c([O-])cccc1OC	mol14745	CCN1CCCC1CNC(=O)c1c(O)cccc1OC