pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.78	IUPAC digitized pKa	1	0	Nc1[nH+]c2c(o1)CCCC2,[NH3+]c1nc2c(o1)CCCC2	Nc1nc2c(o1)CCCC2	mol7951	Nc1nc2c(o1)CCCC2
5.75	Datawarrior	1	0	Nc1[nH+]c2c(o1)CCCC2,[NH3+]c1nc2c(o1)CCCC2	Nc1nc2c(o1)CCCC2	mol7951	Nc1nc2c(o1)CCCC2