pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.46	IUPAC digitized pKa	1	0	O=[N+]([O-])c1cccc([NH2+][C@@H]2CCc3ccccc32)c1	O=[N+]([O-])c1cccc(N[C@@H]2CCc3ccccc32)c1	mol3518	O=[N+]([O-])c1cccc(NC2CCc3ccccc32)c1
-0.46000000834465	QSARToolbox	1	0	O=[N+]([O-])c1cccc([NH2+][C@@H]2CCc3ccccc32)c1	O=[N+]([O-])c1cccc(N[C@@H]2CCc3ccccc32)c1	mol3518	O=[N+]([O-])c1cccc(NC2CCc3ccccc32)c1