[
  {
    "molid": "mol13680",
    "smiles": "Cc1nc(N)cc(O)n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1nc(N)cc(O)n1",
        "std_free_energy": -7.686373710632324,
        "relative_population": 0.9947066588294164
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1nc(N)cc(O)[nH+]1",
        "std_free_energy": 4.860539436340332,
        "relative_population": 0.5455784573244027
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1nc([NH3+])cc(O)n1",
        "std_free_energy": 5.937511920928955,
        "relative_population": 0.18583777891359174
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1nc(O)cc(N)[nH+]1",
        "std_free_energy": 5.640656471252441,
        "relative_population": 0.25006717617347846
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]