[
  {
    "molid": "mol36753",
    "smiles": "O=P(O)(O)C(O)(CCN1CCOCC1)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-4_2",
        "charge": -4,
        "smiles": "O=P([O-])([O-])C(O)(CCN1CCOCC1)P(=O)([O-])[O-]",
        "std_free_energy": -9.938170433044434,
        "relative_population": 0.9995528180238192
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=P([O-])([O-])C(O)(CCN1CCOCC1)P(=O)([O-])O",
        "std_free_energy": -10.482315063476562,
        "relative_population": 0.06977477641140585
      },
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "O=P([O-])([O-])C(O)(CC[NH+]1CCOCC1)P(=O)([O-])[O-]",
        "std_free_energy": -13.072442054748535,
        "relative_population": 0.930199953003064
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.5,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]