[
  {
    "molid": "mol34454",
    "smiles": "CC(C)CC(N)P(=O)(O)CCP(=O)(O)O",
    "microspecies": [
      {
        "id": "-3_5",
        "charge": -3,
        "smiles": "CC(C)C[C@@H](N)[P@@](=O)([O-])CCP(=O)([O-])[O-]",
        "std_free_energy": -5.515655994415283,
        "relative_population": 0.999989181057874
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "CC(C)C[C@@H]([NH3+])[P@@](=O)([O-])CCP(=O)([O-])[O-]",
        "std_free_energy": -13.885016441345215,
        "relative_population": 0.9989230112053546
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8100004196167,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]