[
  {
    "molid": "mol28515",
    "smiles": "Nc1c(C(=O)O)ccc2c1C(=O)c1ccccc1C2=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1c(C(=O)O)ccc2c1C(=O)c1ccccc1C2=O",
        "std_free_energy": -3.600884199142456,
        "relative_population": 0.9947677581271439
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1c(C(=O)[O-])ccc2c1C(=O)c1ccccc1C2=O",
        "std_free_energy": -9.714859008789062,
        "relative_population": 0.9999759910842518
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.74,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]