[
  {
    "molid": "mol4743",
    "smiles": "Oc1ncnc2ncc(CNc3ccccc3)nc12",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Oc1ncnc2ncc(CNc3ccccc3)nc12",
        "std_free_energy": -7.087902545928955,
        "relative_population": 0.9999978519508279
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ncnc2ncc(CNc3ccccc3)nc12",
        "std_free_energy": -1.7666443586349487,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.93,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]