[
  {
    "molid": "mol20934",
    "smiles": "Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C(=O)O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C(=O)O)c1",
        "std_free_energy": -3.8570289611816406,
        "relative_population": 0.9787978122015857
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C(=O)[O-])c1",
        "std_free_energy": -9.913080215454102,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.36,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]