[
  {
    "molid": "mol22761",
    "smiles": "Nc1cc(C(=O)O)cc(C(=O)O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cc(C(=O)O)cc(C(=O)O)c1",
        "std_free_energy": -2.1392948627471924,
        "relative_population": 0.8442464864831697
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]c1cc(C(=O)[O-])cc(C(=O)O)c1",
        "std_free_energy": -0.4491250813007355,
        "relative_population": 0.15575351351683034
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1cc(C(=O)[O-])cc(C(=O)O)c1",
        "std_free_energy": -9.224384307861328,
        "relative_population": 0.958710933556743
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.68,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]