[
  {
    "molid": "mol32508",
    "smiles": "CC1(C)OC(=O)CC2C(C(=O)O)NCC21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)OC(=O)C[C@@H]2[C@@H](C(=O)[O-])[NH2+]C[C@H]21",
        "std_free_energy": -11.530872344970703,
        "relative_population": 0.9999803939666949
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1(C)OC(=O)C[C@@H]2[C@@H](C(=O)O)[NH2+]C[C@H]21",
        "std_free_energy": -1.2132564783096313,
        "relative_population": 0.9753582651409742
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)OC(=O)C[C@@H]2[C@@H](C(=O)[O-])NC[C@H]21",
        "std_free_energy": -5.718527793884277,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.27,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]