pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	OCHEM	1	0	CCC[NH+]1CCCC[C@H]1C(=O)Nc1c(C)cccc1C	CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C	mol1954	CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C
8.07	Hunt	1	0	CCC[NH+]1CCCC[C@H]1C(=O)Nc1c(C)cccc1C	CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C	mol1954	CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C