[
  {
    "molid": "mol32614",
    "smiles": "O=C(NN=Cc1ccccc1)c1ccncc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NN=Cc1ccccc1)c1ccncc1",
        "std_free_energy": -6.823122978210449,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[OH+]=C(NN=Cc1ccccc1)c1ccncc1",
        "std_free_energy": 2.9442059993743896,
        "relative_population": 0.07759506012958607
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C(N[NH+]=Cc1ccccc1)c1ccncc1",
        "std_free_energy": 1.526910662651062,
        "relative_population": 0.32015303112972965
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O=C(NN=Cc1ccccc1)c1cc[nH+]cc1",
        "std_free_energy": 0.8950339555740356,
        "relative_population": 0.6022519087406843
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.8200001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]