[
  {
    "molid": "mol17424",
    "smiles": "CN(C)CCOc1ccc(C(=O)N2C/C(=C\\c3ccccc3)C(=O)/C(=C/c3ccccc3)C2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)CCOc1ccc(C(=O)N2C/C(=C\\c3ccccc3)C(=O)/C(=C/c3ccccc3)C2)cc1",
        "std_free_energy": -3.712632417678833,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)CCOc1ccc(C(=O)N2C/C(=C\\c3ccccc3)C(=O)/C(=C/c3ccccc3)C2)cc1",
        "std_free_energy": -8.160062789916992,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.73,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]