pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.25	QSARToolbox	0	-1	O=C([O-])CCCCC[NH2+]C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O	O=C([O-])CCCCCNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O	mol37304	O=C(O)CCCCCNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O