[
  {
    "molid": "mol15565",
    "smiles": "COc1cccc(OC)c1-c1nc2cnccc2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc(OC)c1-c1nc2cnccc2[nH]1",
        "std_free_energy": -5.501021385192871,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cccc(OC)c1-c1[nH]c2ccncc2[nH+]1",
        "std_free_energy": -4.495995998382568,
        "relative_population": 0.4985208554501751
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cccc(OC)c1-c1nc2c[nH+]ccc2[nH]1",
        "std_free_energy": -4.501912593841553,
        "relative_population": 0.5014791445498249
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cccc(OC)c1-c1nc2cnccc2[n-]1",
        "std_free_energy": 5.005425930023193,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.34,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.3400002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]