pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.01	AttenGpKa training set	0	-1	C=COc1cc([NH3+])ccc1C(=O)[O-],C=COc1cc(N)ccc1C(=O)O	C=COc1cc(N)ccc1C(=O)[O-]	mol22737	C=COc1cc(N)ccc1C(=O)O