[
  {
    "molid": "mol32202",
    "smiles": "O=C(C[n+]1cccc(/C=N/O)c1)Nc1nccs1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(C[n+]1cccc(/C=N/[O-])c1)Nc1nccs1",
        "std_free_energy": -2.626835823059082,
        "relative_population": 0.1259918071670363
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(C[n+]1cccc(/C=N/O)c1)[N-]c1nccs1",
        "std_free_energy": -4.560696125030518,
        "relative_population": 0.8713791482066459
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(C[n+]1cccc(/C=N/[O-])c1)[N-]c1nccs1",
        "std_free_energy": -2.3240582942962646,
        "relative_population": 0.9471925877005691
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.47,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]