pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.68	Datawarrior	1	0	CCC[NH+](CCC)CC(=O)Nc1c(C)cccc1C	CCCN(CCC)CC(=O)Nc1c(C)cccc1C	mol15577	CCCN(CCC)CC(=O)Nc1c(C)cccc1C
7.6799998	OCHEM	1	0	CCC[NH+](CCC)CC(=O)Nc1c(C)cccc1C	CCCN(CCC)CC(=O)Nc1c(C)cccc1C	mol15577	CCCN(CCC)CC(=O)Nc1c(C)cccc1C