pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.45	Datawarrior	1	0	O=[N+]([O-])c1cccc2c[n+](CCCO)ccc12	O=[N+]([O-])c1cccc2c[n+]([CH-]CCO)ccc12	mol15165	O=[N+]([O-])c1cccc2c[n+](CCCO)ccc12
10.4499998092651	QSARToolbox	1	0	O=[N+]([O-])c1cccc2c[n+](CCCO)ccc12	O=[N+]([O-])c1cccc2c[n+]([CH-]CCO)ccc12	mol15165	O=[N+]([O-])c1cccc2c[n+](CCCO)ccc12