[
  {
    "molid": "mol8354",
    "smiles": "Cc1nc(O)nc2[nH]nnc12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1nc(O)nc2[nH]nnc12",
        "std_free_energy": -5.462182998657227,
        "relative_population": 0.9999990590361997
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc(O)nc2[n-]nnc12",
        "std_free_energy": -7.480251312255859,
        "relative_population": 0.9621040790603588
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1nc([O-])nc2[n-]nnc12",
        "std_free_energy": 4.484366416931152,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.41,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.79,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]