[
  {
    "molid": "mol4686",
    "smiles": "c1cc2[nH]cnc2cn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1cc2[nH]cnc2cn1",
        "std_free_energy": -6.090003967285156,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1cc2[nH]c[nH+]c2cn1",
        "std_free_energy": -4.556332588195801,
        "relative_population": 0.5722356523201808
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1nc2c[nH+]ccc2[nH]1",
        "std_free_energy": -4.265354156494141,
        "relative_population": 0.4277643476798191
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "c1cc2[n-]cnc2cn1",
        "std_free_energy": 4.191497325897217,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.88,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.0999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]