pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.06	Datawarrior	1	0	O=[N+]([O-])c1cccc2[nH+]ccc(NCCCO)c12,O=[N+]([O-])c1cccc2nccc([NH2+]CCCO)c12	O=[N+]([O-])c1cccc2nccc(NCCCO)c12	mol14987	O=[N+]([O-])c1cccc2nccc(NCCCO)c12
7.0599999	OCHEM	1	0	O=[N+]([O-])c1cccc2[nH+]ccc(NCCCO)c12,O=[N+]([O-])c1cccc2nccc([NH2+]CCCO)c12	O=[N+]([O-])c1cccc2nccc(NCCCO)c12	mol14987	O=[N+]([O-])c1cccc2nccc(NCCCO)c12
7.05999994277954	QSARToolbox	1	0	O=[N+]([O-])c1cccc2[nH+]ccc(NCCCO)c12,O=[N+]([O-])c1cccc2nccc([NH2+]CCCO)c12	O=[N+]([O-])c1cccc2nccc(NCCCO)c12	mol14987	O=[N+]([O-])c1cccc2nccc(NCCCO)c12