[
  {
    "molid": "mol14833",
    "smiles": "Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1",
        "std_free_energy": -6.618895530700684,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(-c2[nH+]nc(-c3ccccc3)o2)cc1",
        "std_free_energy": 4.0873918533325195,
        "relative_population": 0.49371752425641857
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(-c2n[nH+]c(-c3ccccc3)o2)cc1",
        "std_free_energy": 4.062260627746582,
        "relative_population": 0.5062824757435813
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.81,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.8099999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.80999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]