[
  {
    "molid": "mol2943",
    "smiles": "Cn1c(=O)n(NS(C)(=O)=O)c(=O)c2ccc(Cl)cc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(=O)n(NS(C)(=O)=O)c(=O)c2ccc(Cl)cc21",
        "std_free_energy": -5.257979393005371,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1c(=O)n([N-]S(C)(=O)=O)c(=O)c2ccc(Cl)cc21",
        "std_free_energy": -5.4951171875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]