[
  {
    "molid": "mol28960",
    "smiles": "CC(OP(=O)(O)O)[C@H](N)C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H](OP(=O)([O-])[O-])[C@H]([NH3+])C(=O)O",
        "std_free_energy": -10.111258506774902,
        "relative_population": 0.07468729561692639
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "C[C@H](OP(=O)([O-])O)[C@H]([NH3+])C(=O)[O-]",
        "std_free_energy": -12.61422348022461,
        "relative_population": 0.9125792938599182
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "C[C@H](OP(=O)([O-])[O-])[C@H]([NH3+])C(=O)[O-]",
        "std_free_energy": -14.189830780029297,
        "relative_population": 0.9839208941153239
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.9,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]