[
  {
    "molid": "mol32616",
    "smiles": "O=C(C=C1C=CC=CN1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(C=C1C=CC=CN1)c1ccccc1",
        "std_free_energy": -6.232761383056641,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(C=C1C=CC=C[NH2+]1)c1ccccc1",
        "std_free_energy": 0.9697344303131104,
        "relative_population": 0.44270767076137835
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[OH+]=C(C=C1C=CC=CN1)c1ccccc1",
        "std_free_energy": 0.7395541667938232,
        "relative_population": 0.5572923292386217
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0799999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]