[
  {
    "molid": "mol27347",
    "smiles": "Cc1ccc(C2(c3ccccc3)C(=O)NC(=O)C2C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc([C@@]2(c3ccccc3)C(=O)NC(=O)[C@H]2C(=O)O)cc1",
        "std_free_energy": -2.630800724029541,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1ccc([C@@]2(c3ccccc3)C(=O)NC(=O)[C@H]2C(=O)[O-])cc1",
        "std_free_energy": -10.095969200134277,
        "relative_population": 0.9957844122077203
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "Cc1ccc([C@@]2(c3ccccc3)C(=O)[N-]C(=O)[C@H]2C(=O)[O-])cc1",
        "std_free_energy": -2.7032546997070312,
        "relative_population": 0.9987298701989588
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.97,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 9.1,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]