[
  {
    "molid": "mol37162",
    "smiles": "O=P(O)(O)CN1CCOCCN(CP(=O)(O)O)CCOCC1",
    "microspecies": [
      {
        "id": "-4_5",
        "charge": -4,
        "smiles": "O=P([O-])([O-])CN1CCOCCN(CP(=O)([O-])[O-])CCOCC1",
        "std_free_energy": -6.280650615692139,
        "relative_population": 0.9999996624812422
      },
      {
        "id": "-3_5",
        "charge": -3,
        "smiles": "O=P([O-])([O-])CN1CCOCC[NH+](CP(=O)([O-])[O-])CCOCC1",
        "std_free_energy": -12.560022354125977,
        "relative_population": 0.982578046830763
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.039999961853,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]