[
  {
    "molid": "mol20458",
    "smiles": "O=C1NC(=O)C(N2C(=O)c3cccc4cccc(c34)C2=O)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1NC(=O)[C@H](N2C(=O)c3cccc4cccc(c34)C2=O)N1",
        "std_free_energy": -5.815649509429932,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[N-]C(=O)[C@H](N2C(=O)c3cccc4cccc(c34)C2=O)N1",
        "std_free_energy": -2.893780469894409,
        "relative_population": 0.6719527310704057
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1[N-][C@@H](N2C(=O)c3cccc4cccc(c34)C2=O)C(=O)N1",
        "std_free_energy": -2.1767501831054688,
        "relative_population": 0.32804726892959446
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]