[
  {
    "molid": "mol16304",
    "smiles": "COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1",
        "std_free_energy": -1.0554394721984863,
        "relative_population": 0.9901737839227936
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1",
        "std_free_energy": -9.076316833496094,
        "relative_population": 0.9988416621453347
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.62,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]