pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.27	Datawarrior	1	0	CC(=O)O[C@H]1C[NH+]2CCC1CC2	CC(=O)O[C@H]1CN2CCC1CC2	mol12815	CC(=O)OC1CN2CCC1CC2
9.2700005	OCHEM	1	0	CC(=O)O[C@H]1C[NH+]2CCC1CC2	CC(=O)O[C@H]1CN2CCC1CC2	mol12815	CC(=O)OC1CN2CCC1CC2
9.27000045776367	QSARToolbox	1	0	CC(=O)O[C@H]1C[NH+]2CCC1CC2	CC(=O)O[C@H]1CN2CCC1CC2	mol12815	CC(=O)OC1CN2CCC1CC2