pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.57	Datawarrior	1	0	CCOc1ccc2[nH]c[nH+]c2c1	CCOc1ccc2[nH]cnc2c1	mol12783	CCOc1ccc2[nH]cnc2c1
5.5700002	OCHEM	1	0	CCOc1ccc2[nH]c[nH+]c2c1	CCOc1ccc2[nH]cnc2c1	mol12783	CCOc1ccc2[nH]cnc2c1
5.6	AttenGpKa training set	1	0	CCOc1ccc2[nH]c[nH+]c2c1	CCOc1ccc2[nH]cnc2c1	mol12783	CCOc1ccc2[nH]cnc2c1