[
  {
    "molid": "mol17877",
    "smiles": "Clc1cc(-c2c[nH]nn2)ccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1cc(-c2c[nH]nn2)ccn1",
        "std_free_energy": -6.601596832275391,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Clc1cc(-c2c[n-]nn2)ccn1",
        "std_free_energy": -2.7965991497039795,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]