[
  {
    "molid": "mol30744",
    "smiles": "Cc1nnc(/N=N/c2ccc(O)cc2O)s1",
    "microspecies": [
      {
        "id": "0_13",
        "charge": 0,
        "smiles": "Cc1nnc(/N=N/c2ccc(O)cc2O)s1",
        "std_free_energy": -5.757322788238525,
        "relative_population": 0.9999218718593742
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nnc(/N=N/c2ccc(O)cc2[O-])s1",
        "std_free_energy": -3.2151381969451904,
        "relative_population": 0.36625989925290253
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1nnc(/N=N/c2ccc([O-])cc2O)s1",
        "std_free_energy": -3.763326644897461,
        "relative_population": 0.6336721053083213
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.72,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 8.09,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]