[
  {
    "molid": "mol8486",
    "smiles": "CC(C)(N)C(O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)([NH3+])[C@H](O)C(=O)[O-]",
        "std_free_energy": -12.318285942077637,
        "relative_population": 0.9999886962504639
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)([NH3+])[C@H](O)C(=O)O",
        "std_free_energy": -3.472599506378174,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(N)[C@H](O)C(=O)[O-]",
        "std_free_energy": -5.83827543258667,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]