pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.13	Datawarrior	1	0	CC[N+](O)(CC)CC	CC[N+]([O-])(CC)CC	mol12505	CC[N+](O)(CC)CC
5.1300001	OCHEM	1	0	CC[N+](O)(CC)CC	CC[N+]([O-])(CC)CC	mol12505	CC[N+](O)(CC)CC
5.075	AttenGpKa training set	1	0	CC[N+](O)(CC)CC	CC[N+]([O-])(CC)CC	mol12505	CC[N+](O)(CC)CC