[
  {
    "molid": "mol2825",
    "smiles": "CN(n1c(=O)[nH]c2cc(Cl)ccc2c1=O)S(C)(=O)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(n1c(=O)[nH]c2cc(Cl)ccc2c1=O)S(C)(=O)=O",
        "std_free_energy": -5.244436740875244,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(n1c(=O)[n-]c2cc(Cl)ccc2c1=O)S(C)(=O)=O",
        "std_free_energy": -2.7517924308776855,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]