pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.04999995231628	QSARToolbox	1	0	O=C(O)[C@@]12CC[NH2+]C[C@@H]1O2	O=C([O-])[C@@]12CC[NH2+]C[C@@H]1O2	mol36332	O=C(O)[C@@]12CCNC[C@@H]1O2