[
  {
    "molid": "mol9955",
    "smiles": "O=c1cccc(O)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1cccc(O)cc1O",
        "std_free_energy": -2.467820167541504,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1cccc([O-])cc1O",
        "std_free_energy": -3.706638813018799,
        "relative_population": 0.5792968684467054
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1cccc(O)cc1[O-]",
        "std_free_energy": -3.386751174926758,
        "relative_population": 0.4207031315532946
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=c1cccc([O-])cc1[O-]",
        "std_free_energy": 1.8051846027374268,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.76,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.7600002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.52,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]