[
  {
    "molid": "mol33280",
    "smiles": "Cc1cc(C)c2ccc(S(=O)(=O)O)c(O)c2n1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1cc(C)c2ccc(S(=O)(=O)[O-])c(O)c2[nH+]1",
        "std_free_energy": -5.799774646759033,
        "relative_population": 0.9699198469057848
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(C)c2ccc(S(=O)(=O)[O-])c(O)c2n1",
        "std_free_energy": -8.57834243774414,
        "relative_population": 0.970315737642596
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc(C)c2ccc(S(=O)(=O)[O-])c([O-])c2n1",
        "std_free_energy": 0.14986884593963623,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 10.14,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]