[
  {
    "molid": "mol23739",
    "smiles": "Nc1ccc(NC(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]c1ccc(NC(=O)[O-])cc1",
        "std_free_energy": -6.6265974044799805,
        "relative_population": 0.9643207354602834
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc(NC(=O)[O-])cc1",
        "std_free_energy": -9.573227882385254,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.26,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]