[
  {
    "molid": "mol25118",
    "smiles": "c1ccc(-c2ccc(-c3ccccn3)o2)nc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(-c2ccc(-c3cccc[nH+]3)o2)nc1",
        "std_free_energy": -1.6494548320770264,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "c1ccc(-c2ccc(-c3cccc[nH+]3)o2)[nH+]c1",
        "std_free_energy": 8.396495819091797,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.2,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 3.41,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]