[
  {
    "molid": "mol2143",
    "smiles": "Oc1cnccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1cnccn1",
        "std_free_energy": -9.26628589630127,
        "relative_population": 0.9999907568584432
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1cncc[nH+]1",
        "std_free_energy": 7.822763919830322,
        "relative_population": 0.13270399852057937
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Oc1c[nH+]ccn1",
        "std_free_energy": 5.945504665374756,
        "relative_population": 0.8672960014794207
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cnccn1",
        "std_free_energy": -5.874014377593994,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.23,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.2299995,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      },
      {
        "pka_value": 8.22999954223633,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": -0.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": -0.100000001490116,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]