[
  {
    "molid": "mol37982",
    "smiles": "O=P([O-])(O)OC[N+]12CCC(CC1)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[P@@]([O-])(O)OC[N+]12CCC(CC1)CC2",
        "std_free_energy": -11.717752456665039,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])([O-])OC[N+]12CCC(CC1)CC2",
        "std_free_energy": -13.119490623474121,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]