pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-2.96	AttenGpKa training set	2	1	c1ccc(-c2[nH+][nH+]nn2-c2ccccc2)cc1,c1ccc(-c2n[nH+][nH+]n2-c2ccccc2)cc1,c1ccc(-c2[nH+]n[nH+]n2-c2ccccc2)cc1	c1ccc(-c2n[nH+]nn2-c2ccccc2)cc1,c1ccc(-c2nn[nH+]n2-c2ccccc2)cc1,c1ccc(-c2[nH+]nnn2-c2ccccc2)cc1	mol25992	c1ccc(-c2nnnn2-c2ccccc2)cc1