[
  {
    "molid": "mol7972",
    "smiles": "Clc1cc2[nH]cnc2cn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1cc2[nH]cnc2cn1",
        "std_free_energy": -6.891295433044434,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Clc1cc2[nH]c[nH+]c2cn1",
        "std_free_energy": 1.5337421894073486,
        "relative_population": 0.6267663512234605
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Clc1cc2[nH]cnc2c[nH+]1",
        "std_free_energy": 2.0521113872528076,
        "relative_population": 0.3732336487765395
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Clc1cc2[n-]cnc2cn1",
        "std_free_energy": 0.6255565881729126,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.19,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]