[
  {
    "molid": "mol17892",
    "smiles": "CC(C)OC(=N)NC(=N)Nc1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)OC(=N)NC(=N)Nc1ccc(Cl)cc1",
        "std_free_energy": -2.0573437213897705,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)OC(=[NH2+])NC(=N)Nc1ccc(Cl)cc1",
        "std_free_energy": -7.734043121337891,
        "relative_population": 0.35939180973213347
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)OC(=N)NC(=[NH2+])Nc1ccc(Cl)cc1",
        "std_free_energy": -8.312047958374023,
        "relative_population": 0.6406081902678664
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.35,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]