[
  {
    "molid": "mol32393",
    "smiles": "Cc1nnc(C=NO)s1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nnc(C=NO)s1",
        "std_free_energy": -6.82118034362793,
        "relative_population": 0.9999993694452866
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nnc(C=N[O-])s1",
        "std_free_energy": -2.6066818237304688,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3999996,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.39999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]