pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.89	Datawarrior	1	0	COc1ccc[nH+]c1C=O	COc1cccnc1C=O	mol3712	COc1cccnc1C=O
3.8900001	OCHEM	1	0	COc1ccc[nH+]c1C=O	COc1cccnc1C=O	mol3712	COc1cccnc1C=O