[
  {
    "molid": "mol29892",
    "smiles": "Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1",
        "std_free_energy": -3.335214138031006,
        "relative_population": 0.9999943384685939
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc([N-]C(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1",
        "std_free_energy": -3.5094711780548096,
        "relative_population": 0.05978095787432094
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)N2C)no1",
        "std_free_energy": -6.264896869659424,
        "relative_population": 0.9402190421256791
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.93,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]