pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.29	AttenGpKa training set	1	0	COc1ccc(C[C@@H](C)N[NH3+])cc1,COc1ccc(C[C@@H](C)[NH2+]N)cc1	COc1ccc(C[C@@H](C)NN)cc1	mol24797	COc1ccc(CC(C)NN)cc1