[
  {
    "molid": "mol36964",
    "smiles": "O=CC=CNc1ccccc1CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=CC=CNc1ccccc1CO",
        "std_free_energy": -7.638192176818848,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=CC=C[N-]c1ccccc1CO",
        "std_free_energy": 6.544191360473633,
        "relative_population": 0.8698896475198233
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=CC=CNc1ccccc1C[O-]",
        "std_free_energy": 8.444174766540527,
        "relative_population": 0.13011035248017666
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.9200000762939,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]