[
  {
    "molid": "mol6199",
    "smiles": "N=C(N)Nc1ccc(O)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N=C(N)Nc1ccc([O-])cc1",
        "std_free_energy": 6.74695348739624,
        "relative_population": 0.7356460928490277
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[N-]=C(N)Nc1ccc(O)cc1",
        "std_free_energy": 7.770413875579834,
        "relative_population": 0.2643539071509724
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[N-]=C(N)Nc1ccc([O-])cc1",
        "std_free_energy": 12.136061668395996,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]