[
  {
    "molid": "mol36319",
    "smiles": "O=C(O)[C@H]1NCCC[C@H]1C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@H]1[NH2+]CCC[C@H]1C(=O)[O-]",
        "std_free_energy": -14.86671257019043,
        "relative_population": 0.9998993941575947
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])[C@H]1NCCC[C@H]1C(=O)[O-]",
        "std_free_energy": -5.65321159362793,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.1099996566772,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]