pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1	AttenGpKa training set	0	-1	O=C(O)c1ccc(-n2c(C(=O)c3ccccc3)n[nH]c2=O)cc1	O=C(O)c1ccc(-n2c(C(=O)c3ccccc3)n[n-]c2=O)cc1,O=C([O-])c1ccc(-n2c(C(=O)c3ccccc3)n[nH]c2=O)cc1	mol23220	O=C(O)c1ccc(-n2c(C(=O)c3ccccc3)n[nH]c2=O)cc1