[
  {
    "molid": "mol28930",
    "smiles": "N[C@H](COP(=O)(O)O)C(=O)O",
    "microspecies": [
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "[NH3+][C@H](COP(=O)([O-])O)C(=O)[O-]",
        "std_free_energy": -12.876612663269043,
        "relative_population": 0.9837734396941755
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "[NH3+][C@H](COP(=O)([O-])[O-])C(=O)[O-]",
        "std_free_energy": -14.591837882995605,
        "relative_population": 0.9891974487982644
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.6,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]