[
  {
    "molid": "mol37718",
    "smiles": "N[C@@H](CCP(=O)(O)O)C(=O)O",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[NH3+][C@@H](CCP(=O)([O-])O)C(=O)[O-]",
        "std_free_energy": -12.626368522644043,
        "relative_population": 0.9823416217969155
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[NH3+][C@@H](CCP(=O)([O-])[O-])C(=O)[O-]",
        "std_free_energy": -14.593803405761719,
        "relative_population": 0.9957673609057857
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.88000011444092,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]