[
  {
    "molid": "mol30511",
    "smiles": "Cc1cc(O)c(O)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(O)c(O)cc1O",
        "std_free_energy": -8.140660285949707,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "Cc1cc([O-])c([O-])cc1[O-]",
        "std_free_energy": 14.629985809326172,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(O)c([O-])cc1O",
        "std_free_energy": -0.28834766149520874,
        "relative_population": 0.44699527265403466
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc([O-])c(O)cc1O",
        "std_free_energy": 0.30448228120803833,
        "relative_population": 0.24708145908797108
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1cc(O)c(O)cc1[O-]",
        "std_free_energy": 0.09086604416370392,
        "relative_population": 0.3059232682579943
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc([O-])c([O-])cc1O",
        "std_free_energy": 8.765559196472168,
        "relative_population": 0.8096080270456457
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "Cc1cc(O)c([O-])cc1[O-]",
        "std_free_energy": 11.542911529541016,
        "relative_population": 0.05036003379500404
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "Cc1cc([O-])c(O)cc1[O-]",
        "std_free_energy": 10.520238876342773,
        "relative_population": 0.14003193915935028
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 12.3,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]