[
  {
    "molid": "mol11939",
    "smiles": "Cc1cc(O)cc(O)c1-c1c(C)cc(O)cc1O",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "Cc1cc([O-])cc([O-])c1-c1c(C)cc([O-])cc1[O-]",
        "std_free_energy": 14.71417236328125,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "Cc1cc([O-])cc([O-])c1-c1c(C)cc([O-])cc1O",
        "std_free_energy": 6.525659084320068,
        "relative_population": 0.8273109524600236
      },
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "Cc1cc([O-])cc([O-])c1-c1c(C)cc(O)cc1[O-]",
        "std_free_energy": 8.092347145080566,
        "relative_population": 0.17268904753997635
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(O)cc([O-])c1-c1c(C)cc(O)cc1O",
        "std_free_energy": -1.7356228828430176,
        "relative_population": 0.6340806781341102
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc([O-])cc(O)c1-c1c(C)cc(O)cc1O",
        "std_free_energy": -1.1858595609664917,
        "relative_population": 0.3659193218658899
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc([O-])cc(O)c1-c1c(C)cc([O-])cc1O",
        "std_free_energy": 1.6622499227523804,
        "relative_population": 0.8527476932433451
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "Cc1cc(O)cc([O-])c1-c1c(C)cc([O-])cc1O",
        "std_free_energy": 3.6807429790496826,
        "relative_population": 0.11329223829635307
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.45,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.34,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.45,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.1999998092651,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]