pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	Datawarrior	1	0	C1CC[C@H]([NH2+][C@H]2CCCCO2)OC1	C1CC[C@H](N[C@H]2CCCCO2)OC1	mol13795	C1CCC(NC2CCCCO2)OC1
8.1000004	OCHEM	1	0	C1CC[C@H]([NH2+][C@H]2CCCCO2)OC1	C1CC[C@H](N[C@H]2CCCCO2)OC1	mol13795	C1CCC(NC2CCCCO2)OC1
8.10000038146973	QSARToolbox	1	0	C1CC[C@H]([NH2+][C@H]2CCCCO2)OC1	C1CC[C@H](N[C@H]2CCCCO2)OC1	mol13795	C1CCC(NC2CCCCO2)OC1