[
  {
    "molid": "mol36754",
    "smiles": "O=P(O)(O)C(O)(CCNC1CCCCC1)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-4_2",
        "charge": -4,
        "smiles": "O=P([O-])([O-])C(O)(CCNC1CCCCC1)P(=O)([O-])[O-]",
        "std_free_energy": -4.0736517906188965,
        "relative_population": 0.5613512099102949
      },
      {
        "id": "-4_3",
        "charge": -4,
        "smiles": "O=P([O-])([O-])C([O-])(CC[NH2+]C1CCCCC1)P(=O)([O-])[O-]",
        "std_free_energy": -3.8264923095703125,
        "relative_population": 0.43842434747356146
      },
      {
        "id": "-3_3",
        "charge": -3,
        "smiles": "O=P([O-])([O-])C(O)(CC[NH2+]C1CCCCC1)P(=O)([O-])[O-]",
        "std_free_energy": -14.583366394042969,
        "relative_population": 0.9998981388296518
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.8000001907349,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]