[
  {
    "molid": "mol37134",
    "smiles": "O=[N+]([O-])OCCCCC(P(=O)(O)O)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[N+]([O-])OCCCCC(P(=O)([O-])O)P(=O)(O)O",
        "std_free_energy": -10.168516159057617,
        "relative_population": 0.9999766396266232
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=[N+]([O-])OCCCCC(P(=O)([O-])[O-])P(=O)(O)O",
        "std_free_energy": -11.949082374572754,
        "relative_population": 0.2764225354970554
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=[N+]([O-])OCCCCC(P(=O)([O-])O)P(=O)([O-])O",
        "std_free_energy": -12.911358833312988,
        "relative_population": 0.7235770810407216
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.07999992370605,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]