[
  {
    "molid": "mol32605",
    "smiles": "OC1COC(n2cnc3ccccc32)C(O)C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O[C@@H]1[C@H](O)[C@H](O)CO[C@H]1n1cnc2ccccc21",
        "std_free_energy": -7.246585845947266,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O[C@@H]1[C@H](O)[C@H]([OH2+])CO[C@H]1n1cnc2ccccc21",
        "std_free_energy": 1.3837313652038574,
        "relative_population": 0.05627271426630105
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O[C@H]1[C@@H]([OH2+])[C@H](n2cnc3ccccc32)OC[C@H]1O",
        "std_free_energy": 0.5056711435317993,
        "relative_population": 0.13540495978581243
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "O[C@@H]1[C@H](O)[C@H](O)CO[C@H]1n1c[nH+]c2ccccc21",
        "std_free_energy": -1.2299128770828247,
        "relative_population": 0.7680493670085953
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.0349998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]