pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.31	Datawarrior	2	1	C[N+](C)(C)CCC[N+](C)(C)CCCNC(=O)/C=N/O	C[N+](C)(C)CCC[N+](C)(C)CCCNC(=O)/C=N/[O-]	mol15509	C[N+](C)(C)CCC[N+](C)(C)CCCNC(=O)/C=N/O
8.3100004	OCHEM	2	1	C[N+](C)(C)CCC[N+](C)(C)CCCNC(=O)/C=N/O	C[N+](C)(C)CCC[N+](C)(C)CCCNC(=O)/C=N/[O-]	mol15509	C[N+](C)(C)CCC[N+](C)(C)CCCNC(=O)/C=N/O