[
  {
    "molid": "mol37949",
    "smiles": "O=S(=O)(O)c1cc2c(O)c(c1)S(=O)(=O)c1cc(S(=O)(=O)O)cc(c1O)S(=O)(=O)c1cc(S(=O)(=O)O)cc(c1O)S(=O)(=O)c1cc(S(=O)(=O)O)cc(c1O)S2(=O)=O",
    "microspecies": [
      {
        "id": "-6_1",
        "charge": -6,
        "smiles": "O=S(=O)([O-])c1cc2c([O-])c(c1)S(=O)(=O)c1cc(S(=O)(=O)[O-])cc(c1[O-])S(=O)(=O)c1cc(S(=O)(=O)O)cc(c1O)S(=O)(=O)c1cc(S(=O)(=O)[O-])cc(c1[O-])S2(=O)=O",
        "std_free_energy": -1.5756490230560303,
        "relative_population": 0.05128566440923947
      },
      {
        "id": "-6_2",
        "charge": -6,
        "smiles": "O=S(=O)([O-])c1cc2c([O-])c(c1)S(=O)(=O)c1cc(S(=O)(=O)[O-])cc(c1O)S(=O)(=O)c1cc(S(=O)(=O)[O-])cc(c1[O-])S(=O)(=O)c1cc(S(=O)(=O)O)cc(c1[O-])S2(=O)=O",
        "std_free_energy": -3.69087290763855,
        "relative_population": 0.4252321059488762
      },
      {
        "id": "-6_3",
        "charge": -6,
        "smiles": "O=S(=O)([O-])c1cc2c([O-])c(c1)S(=O)(=O)c1cc(S(=O)(=O)[O-])cc(c1O)S(=O)(=O)c1cc(S(=O)(=O)[O-])cc(c1O)S(=O)(=O)c1cc(S(=O)(=O)[O-])cc(c1[O-])S2(=O)=O",
        "std_free_energy": -3.22371244430542,
        "relative_population": 0.26652676981811035
      },
      {
        "id": "-6_4",
        "charge": -6,
        "smiles": "O=S(=O)([O-])c1cc2c([O-])c(c1)S(=O)(=O)c1cc(S(=O)(=O)[O-])cc(c1O)S(=O)(=O)c1cc(S(=O)(=O)[O-])cc(c1[O-])S(=O)(=O)c1cc(S(=O)(=O)[O-])cc(c1O)S2(=O)=O",
        "std_free_energy": -2.2605981826782227,
        "relative_population": 0.10173388430126583
      },
      {
        "id": "-6_5",
        "charge": -6,
        "smiles": "O=S(=O)([O-])c1cc2c([O-])c(c1)S(=O)(=O)c1cc(S(=O)(=O)O)cc(c1[O-])S(=O)(=O)c1cc(S(=O)(=O)[O-])cc(c1O)S(=O)(=O)c1cc(S(=O)(=O)[O-])cc(c1[O-])S2(=O)=O",
        "std_free_energy": -1.8375176191329956,
        "relative_population": 0.06663832503325186
      },
      {
        "id": "-6_6",
        "charge": -6,
        "smiles": "O=S(=O)([O-])c1cc2c([O-])c(c1)S(=O)(=O)c1cc(S(=O)(=O)O)cc(c1[O-])S(=O)(=O)c1cc(S(=O)(=O)O)cc(c1[O-])S(=O)(=O)c1cc(S(=O)(=O)[O-])cc(c1[O-])S2(=O)=O",
        "std_free_energy": -1.5785644054412842,
        "relative_population": 0.05143539989391563
      },
      {
        "id": "-5_7",
        "charge": -5,
        "smiles": "O=S(=O)([O-])c1cc2c([O-])c(c1)S(=O)(=O)c1cc(S(=O)(=O)[O-])cc(c1O)S(=O)(=O)c1cc(S(=O)(=O)[O-])cc(c1O)S(=O)(=O)c1cc(S(=O)(=O)[O-])cc(c1O)S2(=O)=O",
        "std_free_energy": -7.479914665222168,
        "relative_population": 0.9415076149761229
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.80999994277954,
        "charge_state_pre": -5,
        "charge_state_post": -6,
        "data_source": "QSARToolbox"
      }
    ]
  }
]