pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.69999980926514	QSARToolbox	1	0	OC[C@H]1O[C@@H](C[NH2+]C2CCCCC2)[C@H](O)[C@@H](O)[C@H]1O	OC[C@H]1O[C@@H](CNC2CCCCC2)[C@H](O)[C@@H](O)[C@H]1O	mol36936	OC[C@H]1O[C@@H](CNC2CCCCC2)[C@H](O)[C@@H](O)[C@H]1O