[
  {
    "molid": "mol11553",
    "smiles": "Oc1ccc(N=Nc2cccnc2)c(O)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cc(O)ccc1N=Nc1cccnc1",
        "std_free_energy": -2.962435245513916,
        "relative_population": 0.34220754116945706
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1ccc(N=Nc2cccnc2)c(O)c1",
        "std_free_energy": -3.6148247718811035,
        "relative_population": 0.6570807544762706
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1ccc(N=Nc2cccnc2)c([O-])c1",
        "std_free_energy": 7.264174461364746,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.4,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]