[
  {
    "molid": "mol14486",
    "smiles": "c1cc(-c2nn[nH]n2)cc(-c2nnn[nH]2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1cc(-c2nn[nH]n2)cc(-c2nnn[nH]2)c1",
        "std_free_energy": -2.429440975189209,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "c1cc(-c2nn[n-]n2)cc(-c2nnn[nH]2)c1",
        "std_free_energy": -8.926276206970215,
        "relative_population": 0.353097014301038
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "c1cc(-c2nn[nH]n2)cc(-c2nnn[n-]2)c1",
        "std_free_energy": -9.531729698181152,
        "relative_population": 0.6469029856989619
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.38,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.3800001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.38000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]