[
  {
    "molid": "mol12630",
    "smiles": "CN(C)c1nc(/N=N/O)nn1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1nc(/N=N/O)nn1C",
        "std_free_energy": -5.559968948364258,
        "relative_population": 0.9998245366158585
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1nc(/N=N/[O-])nn1C",
        "std_free_energy": -6.7489423751831055,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.94,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.9400001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.94000005722046,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]