[
  {
    "molid": "mol32412",
    "smiles": "NC1=NC2C=CC=CN2O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC1=N[C@H]2C=CC=CN2O1",
        "std_free_energy": -4.976632595062256,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NC1=[NH+][C@H]2C=CC=CN2O1",
        "std_free_energy": -3.3221142292022705,
        "relative_population": 0.8104449579575632
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "NC1=N[C@H]2C=CC=C[NH+]2O1",
        "std_free_energy": -1.8692102432250977,
        "relative_population": 0.1895550420424369
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.1799998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]