[
  {
    "molid": "mol15700",
    "smiles": "Cc1cc(O)nc(-n2nc(C)cc2O)n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc(O)nc(-n2nc(C)cc2O)n1",
        "std_free_energy": -7.378012657165527,
        "relative_population": 0.9996429498015287
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(O)nc(-n2nc(C)cc2[O-])n1",
        "std_free_energy": 2.154897928237915,
        "relative_population": 0.3583588967977414
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1cc([O-])nc(-n2nc(C)cc2O)n1",
        "std_free_energy": 1.5845520496368408,
        "relative_population": 0.6338934420599571
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc([O-])nc(-n2nc(C)cc2[O-])n1",
        "std_free_energy": 9.190674781799316,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.23,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]