[
  {
    "molid": "mol27556",
    "smiles": "Cc1ccc(S(=O)(=O)NC(N)=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(S(=O)(=O)NC(N)=O)cc1",
        "std_free_energy": -6.567008018493652,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(S(=O)(=O)[N-]C(N)=O)cc1",
        "std_free_energy": -9.762105941772461,
        "relative_population": 0.9999991903633948
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]