[
  {
    "molid": "mol22697",
    "smiles": "Nc1cc(O)cc(C(=O)O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cc(O)cc(C(=O)O)c1",
        "std_free_energy": -3.9432523250579834,
        "relative_population": 0.33045388575555845
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[NH3+]c1cc(O)cc(C(=O)[O-])c1",
        "std_free_energy": -4.649348258972168,
        "relative_population": 0.6695213504357621
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1cc(O)cc(C(=O)[O-])c1",
        "std_free_energy": -9.320292472839355,
        "relative_population": 0.9998061353966163
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.73,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]