pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.14	OCHEM	1	0	[O-]/N=C/c1cc[n+](Cc2cccc(C[n+]3ccc(/C=N/O)cc3)c2)cc1	[O-]/N=C/c1cc[n+](Cc2cccc(C[n+]3ccc(/C=N/[O-])cc3)c2)cc1	mol17957	O/N=C/c1cc[n+](Cc2cccc(C[n+]3ccc(/C=N/O)cc3)c2)cc1
8.1	OCHEM	1	0	[O-]/N=C/c1cc[n+](Cc2cccc(C[n+]3ccc(/C=N/O)cc3)c2)cc1	[O-]/N=C/c1cc[n+](Cc2cccc(C[n+]3ccc(/C=N/[O-])cc3)c2)cc1	mol17957	O/N=C/c1cc[n+](Cc2cccc(C[n+]3ccc(/C=N/O)cc3)c2)cc1