pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.75	Datawarrior	1	0	COc1[nH]c2ccccc2[nH+]1	COc1nc2ccccc2[nH]1	mol14003	COc1nc2ccccc2[nH]1
3.70000004768372	QSARToolbox	1	0	COc1[nH]c2ccccc2[nH+]1	COc1nc2ccccc2[nH]1	mol14003	COc1nc2ccccc2[nH]1