[
  {
    "molid": "mol25139",
    "smiles": "Cc1cc(O)c(O)c(C(=O)NCc2ccccc2)[n+]1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc([O-])c(O)c(C(=O)NCc2ccccc2)[n+]1C",
        "std_free_energy": -3.6765503883361816,
        "relative_population": 0.5234307568532528
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc(O)c([O-])c(C(=O)NCc2ccccc2)[n+]1C",
        "std_free_energy": -3.582758665084839,
        "relative_population": 0.47656924314674726
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(O)c(O)c(C(=O)NCc2ccccc2)[n+]1C",
        "std_free_energy": 3.7927939891815186,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.62,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]