pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.03000020980835	QSARToolbox	0	-1	O=S(=O)([O-])C[NH2+]C[C@H]1CCCC[C@@H]1O	O=S(=O)([O-])CNC[C@H]1CCCC[C@@H]1O	mol37321	O=S(=O)(O)CNC[C@H]1CCCC[C@@H]1O