pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4799995	OCHEM	1	0	[NH3+]CCCN1C=Cc2c(cccc2[N+](=O)[O-])C1	NCCCN1C=Cc2c(cccc2[N+](=O)[O-])C1	mol32779	NCCCN1C=Cc2c(cccc2[N+](=O)[O-])C1