pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.8	AttenGpKa training set	0	-1	COc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])CS2)cc1	COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1	mol29378	COc1ccc(C2NC(C(=O)O)CS2)cc1