pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.80000019073486	QSARToolbox	0	-1	CN(C)c1ccc([C@@H](C=[N+]([O-])O)SCCO)cc1	CN(C)c1ccc([C@@H](C=[N+]([O-])[O-])SCCO)cc1	mol36394	CN(C)c1ccc(C(C=[N+]([O-])O)SCCO)cc1