[
  {
    "molid": "mol36332",
    "smiles": "O=C(O)[C@@]12CCNC[C@@H]1O2",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])[C@@]12CC[NH2+]C[C@@H]1O2",
        "std_free_energy": -11.68371868133545,
        "relative_population": 0.99997652056898
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)[C@@]12CC[NH2+]C[C@@H]1O2",
        "std_free_energy": -2.527222156524658,
        "relative_population": 0.9753105732733459
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.04999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]