[
  {
    "molid": "mol15530",
    "smiles": "COc1ccc(-c2cc3ccncc3[nH]2)c(OC)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(-c2cc3ccncc3[nH]2)c(OC)c1",
        "std_free_energy": -4.354185104370117,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc(-c2cc3cc[nH+]cc3[nH]2)c(OC)c1",
        "std_free_energy": -8.568689346313477,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.29,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.27000045776367,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]