[
  {
    "molid": "mol30723",
    "smiles": "O=C(Oc1ccccc1)c1ccc(O)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(Oc1ccccc1)c1ccc(O)cc1O",
        "std_free_energy": -5.348635673522949,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(Oc1ccccc1)c1ccc([O-])cc1O",
        "std_free_energy": -2.9938406944274902,
        "relative_population": 0.7805185358676021
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(Oc1ccccc1)c1ccc(O)cc1[O-]",
        "std_free_energy": -1.7251499891281128,
        "relative_population": 0.21948146413239797
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C(Oc1ccccc1)c1ccc([O-])cc1[O-]",
        "std_free_energy": 7.2867937088012695,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.55000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.76,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]