[
  {
    "molid": "mol18583",
    "smiles": "COc1ccc(/C=C2\\NC(=O)NC2=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(/C=C2\\NC(=O)NC2=O)cc1",
        "std_free_energy": -6.3666229248046875,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(/C=C2\\NC(=O)[N-]C2=O)cc1",
        "std_free_energy": -0.6385200023651123,
        "relative_population": 0.48830035841210406
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc(/C=C2\\[N-]C(=O)NC2=O)cc1",
        "std_free_energy": -0.6853271126747131,
        "relative_population": 0.5116996415878959
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]