[
  {
    "molid": "mol32571",
    "smiles": "CC(C)C1CNC(C(=O)O)C1CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)[C@H]1C[NH2+][C@@H](C(=O)[O-])[C@@H]1CC(=O)O",
        "std_free_energy": -9.006959915161133,
        "relative_population": 0.9620743480898606
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)[C@H]1C[NH2+][C@@H](C(=O)O)[C@@H]1CC(=O)O",
        "std_free_energy": 1.1976028680801392,
        "relative_population": 0.9453272455528485
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)[C@H]1C[NH2+][C@@H](C(=O)[O-])[C@@H]1CC(=O)[O-]",
        "std_free_energy": -14.487589836120605,
        "relative_population": 0.9998935956433916
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)[C@H]1CN[C@@H](C(=O)[O-])[C@@H]1CC(=O)[O-]",
        "std_free_energy": -5.108156204223633,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.1199999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 10.62,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]