[
  {
    "molid": "mol19217",
    "smiles": "Cc1ccc(S(=O)(=O)NC2=C(Nc3cc(C)cc(C)c3)C(=O)c3ccccc3C2=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(S(=O)(=O)NC2=C(Nc3cc(C)cc(C)c3)C(=O)c3ccccc3C2=O)cc1",
        "std_free_energy": -6.585714817047119,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(S(=O)(=O)[N-]C2=C(Nc3cc(C)cc(C)c3)C(=O)c3ccccc3C2=O)cc1",
        "std_free_energy": -1.1800613403320312,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]