pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.5	Datawarrior	1	0	COc1cc(C)n(-c2ccccc2)[nH+]1	COc1cc(C)n(-c2ccccc2)n1	mol6907	COc1cc(C)n(-c2ccccc2)n1
1.17	AttenGpKa training set	1	0	COc1cc(C)n(-c2ccccc2)[nH+]1	COc1cc(C)n(-c2ccccc2)n1	mol6907	COc1cc(C)n(-c2ccccc2)n1