pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.32	AttenGpKa training set	2	1	c1ccc(-c2ccc(-c3ccc[nH+]c3)o2)[nH+]c1	c1ccc(-c2ccc(-c3ccc[nH+]c3)o2)nc1,c1ccc(-c2ccc(-c3cccnc3)o2)[nH+]c1	mol25119	c1ccc(-c2ccc(-c3cccnc3)o2)nc1
3.66	AttenGpKa training set	2	1	c1ccc(-c2ccc(-c3ccc[nH+]c3)o2)[nH+]c1	c1ccc(-c2ccc(-c3ccc[nH+]c3)o2)nc1,c1ccc(-c2ccc(-c3cccnc3)o2)[nH+]c1	mol25119	c1ccc(-c2ccc(-c3cccnc3)o2)nc1