[
  {
    "molid": "mol12715",
    "smiles": "ON=C1CCCC(=N\\O)/C1=N/O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "[O-]N=C1CCCC(=N\\[O-])/C1=N/[O-]",
        "std_free_energy": 17.939937591552734,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]N=C1CCCC(=N\\[O-])/C1=N/O",
        "std_free_energy": 5.393070697784424,
        "relative_population": 0.32016085348055046
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "[O-]/N=C1\\C(=NO)CCC\\C1=N/[O-]",
        "std_free_energy": 4.640038013458252,
        "relative_population": 0.6798391465194494
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.21,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.12,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "Datawarrior"
      }
    ]
  }
]