[
  {
    "molid": "mol14500",
    "smiles": "CN1c2ccccc2Nc2ccc(O)cc21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN1c2ccccc2Nc2ccc(O)cc21",
        "std_free_energy": -7.889230251312256,
        "relative_population": 0.9997981102513814
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+]1c2ccccc2Nc2ccc(O)cc21",
        "std_free_energy": 5.334697723388672,
        "relative_population": 0.48148635570181697
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN1c2ccccc2[NH2+]c2ccc(O)cc21",
        "std_free_energy": 5.261476993560791,
        "relative_population": 0.518063915475576
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1c2ccccc2Nc2ccc([O-])cc21",
        "std_free_energy": 0.3780592679977417,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]