pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.37	OCHEM	1	0	CC1=CCCC[C@@H]1[NH3+]	CC1=CCCC[C@@H]1N	mol969	CC1=CCCC[C@@H]1N
