pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.01	Datawarrior	1	0	CCC[NH2+]CC(=O)Nc1c(C)cccc1C	CCCNCC(=O)Nc1c(C)cccc1C	mol14446	CCCNCC(=O)Nc1c(C)cccc1C
8.0100002	OCHEM	1	0	CCC[NH2+]CC(=O)Nc1c(C)cccc1C	CCCNCC(=O)Nc1c(C)cccc1C	mol14446	CCCNCC(=O)Nc1c(C)cccc1C