[
  {
    "molid": "mol28812",
    "smiles": "Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]",
        "std_free_energy": -5.121110439300537,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]",
        "std_free_energy": -10.329273223876953,
        "relative_population": 0.9999685243516135
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.21,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]